#============================================================================== 

data_New_Global_Publ_Block

# Added by publCIF - use a unique identifier for each data block

#==============================================================================


# SUBMISSION DETAILS

_publ_contact_author_name            
'Glenn P. A. Yap'   # Name of author for correspondence
_publ_contact_author_address             # Address of author for correspondence
;
Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
USA
;

_publ_contact_author_email           'gpyap@udel.edu'
_publ_contact_author_fax             '302 831 6335'
_publ_contact_author_phone           '302 831 4441'

_publ_contact_letter
;
Please consider this CIF for publication. I certify that this contibution is the
original work of those listed as authors; that it has not been published
before (in any language or medium) and is not being considered for publication
elsewhere; that all authors concur with and are aware of the submission; that
all workers involved in the study are listed as authors or given proper credit
in the acknowledgements; that I have obtained permission for and acknowledged
the source of any excerpts from other copyright works; and that to the best of
my knowledge the paper contains no statements which are libellous, unlawful or
in any way actionable. All coauthors have made significant scientific
contributions to the work reported, including the ideas and their execution,
and share responsibility and accountability for the results.
;
   
_publ_requested_journal              'Acta Cryst. C'
_publ_requested_category             'FI'   

#==============================================================================

# TITLE AND AUTHOR LIST

_publ_section_title
;
Iodo(cyclohexyldiphenylphosphine)ₓsilver(I) (x=1,2,3)
;
_publ_section_title_footnote  # remove if not required
.         
 
# The loop structure below should contain the names and addresses of all 
# authors, in the required order of publication. Repeat as necessary.

# NB if using publCIF, the Author database tool might prove useful
# (see the Tools menu in publCIF)

loop_
_publ_author_name
_publ_author_address
_publ_author_footnote
'Young, John F.'
;
Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
USA
;
.
'Yap, Glenn P. A.'
;
Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
USA
;
.



#==============================================================================

# TEXT

_publ_section_synopsis
.
_publ_section_abstract
;
Three different cyclohexydiphenylphosphine adducts of AgI have been prepared by
varying reaction solvent and temperature. The mono phosphine has a tetrameric
structure with the silver and iodine atoms arranged in a distorted cubane. The
bis adduct has a dimeric structure with bridging iodine atoms. The tris adduct
is monomeric. In each case, the silver maintains a tetrahedral coordination
geometry.
;
_publ_section_comment
;
Previously we have observed that the average P---Ni---X bond angles
(X = Cl, Br, I) for tris-triphenylphosphine complexes are insensitive
to halide substitution and we have suggested that the steric relief afforded
by the longer M---X bond is sufficient and thus distortion of the bond
angle is not required (Eckert et al., 2006). Switching to Ag(I) from
Ni(I) afforded a technically more facile, air-stable system. However,
tris-triphenylphosphine Ag X complexes have been previously reported
(Cassel, 1981:Engelhardt et al., 1987; Camalli & Caruso, 1987; Hibbs
et al., 1996) and, similar to the Ni case, no clear trend is observed
for the P---Ag---X bond angle. 

We surmised that a more sterically challenging ligand would show the expected
bond angle distortion. However, there were very few examples of tris
monodentate phosphine monomeric Ag halide complexes. Thus we set out to
synthesize tris-cyclohexyldiphenylphosphine adducts of AgX using the
literature preparation (Camalli & Caruso, 1987) modified by substituting the
appropriate phosphine. We decided to attempt the synthesis of the iodo complex
first since iodine would be the bulkiest of the three halogens we intend to
explore eventually. Although we used a 1:3 AgI:PCyPh₂ stoichiometry upon
standard work up, we observe only one Ag complex which is the 1:2 AgI:PCyPh₂
dimer. Replacing the reaction solvent to tetrahydrofuran afforded only one Ag
complex which is the 1:1 AgI:PCyPh₂ tetrameric complex. It was only by
refluxing methylene chloride solvent that the tris monomeric complex was
obtained. In each of the three types of complexes the Ag atom maintains a
tetrahedral coordination environment. It would appear that the larger steric
bulk of PCyPh₂ versus PPh₃ required more forcing conditions.

The 1:1 AgI:PCyPh₂ tetrameric complex is similar to reported analogues with
other monodentate phosphines (Bowen et al., 1994; Teo & Calabrese,
1975; Teo & Calabrese, 1976a; Meijboom et al., 2006). The silver
and iodide atoms alternate in a distorted cubane framework with phosphine
capping the silver corners. Each cubane face is distorted such that the
Ag...Ag atomic separation is shorter than the Br...Br atomic separation. Two
symmetry unique but structurally similar tetramers are each located on a
twofold axis. The Flack parameter refined to nil indicating the true hand of
the data has been correctly determined.

The 1:2 AgI:PCyPh₂ dimeric complex is similar to the reported
triphenyphosphine complexes with chlorine or bromine (Cassel, 1979; Bowmaker
et al.,1993; Teo & Calabrese, 1976b) and the
5-phenyldibenzophosphine complex with chloride (Attar et al., 1991).
The 1:2 AgI:PCyPh₂ dimeric complex is the first reported complex of this
type with bridging iodine and monodentate phosphine. The molecule is located
on a twofold axis.

The 1:3 AgI:PCyPh₂ monomeric complex is similar to the reported PPh₃
(Camalli & Caruso, 1987; Engelhardt et al., 1987; Hibbs et al.,
1996, and tri-p-tolylphosphine (Meijboom, 2007) analogues. Two
methylene chloride solvent molecules were found cocrystallized each in two
positions one of which is disordered on -3 axis with a net occupancy of 1 1/16
per compound molecule. 

We have achieved the synthesis of AgI complexes with the bulkiest monodentate
phosphine to date. The ease in synthesizing complexes with different motifs
underscores the versatility of monodentate phosphines and allows access to
future structural chemistry.
;
_publ_section_acknowledgements 	# remove if not required
;
We wish to thank Professor Klaus H. Theopold, Director of the Center for
Catalytic Science and Technology, for synthetic assistance and the Department
of Chemistry and Biochemistry for the purchase of reagents.
;


_publ_section_references
;
Attar, S., Alcock, N. W., Bowmaker, G. A., Frye, J. S., Bearden, W. H. &
Nelson, J. H. (1991). Inorg. Chem. 30, 4166--4176.

Bowen, R. J., Camp, D., Effendy, Healy, P. C., Skelton, B. W. & White, A. H.
(1994). Aust. J. Chem. 47, 693--701.

Bowmaker, G. A., Effendy, Hannah, J. V., Healy, P. C., Skelton, B. W., & White,
A. H. (1993). J. Chem. Soc. Dalton Trans. 9, 1387--1999.

Bruker (2002). SMART (Version 5.62), SAINT (Version 6.02),
SHELXTL (Version 6.10) and SADABS (Version 2.03). Bruker AXS
Inc., Madison, Wisconsin, USA.

Camalli, M. & Caruso, F. (1987). Inorg. Chim. Acta, 127,
209--213.

Cassel, A. (1979). Acta Cryst. B35, 174--177.

Cassel, A. (1981). Acta Cryst. B37, 229--231.

Eckert, N. A., Riordan, C. G. & Yap, G. P. A. (2006). Acta Cryst.
E62, m1766--m1767.

Engelhardt, L. M., Healy, P. C., Patrick, V. A. & White, A. H. (1987). Aust.
J. Chem. 40, 1873--80.

Flack, H. D. (1983). Acta Cryst. A39, 876--881.

Hibbs, D. E., Hursthouse, M. B., Malik, K. M. A., Beckett, M. A. & Jones, P. W.
(1996). Acta Cryst. C52, 884--887.

Meijboom, R. (2007). Acta Cryst. E63, m78--m79.

Meijboom, R., Muller, A. & Roodt, A. (2006). Acta Cryst. E62,
m2162--m2164.

Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of
Göttingen, Germany.

Spek, A. L. (2003). J. Appl. Cryst. 36, 7--13.

Teo, B.-K. & Calabrese, J. C. (1975). J. Am. Chem. Soc. 97,
1256--1257.

Teo, B.-K. & Calabrese, J. C. (1976a). Inorg. Chem. 15,
2474--2486.

Teo, B.-K. & Calabrese, J. C. (1976b). Chem. Commun. 6,
185--186.
;
_publ_section_figure_captions
;
Figure 1. Molecular diagram of the 1:1 AgI:PCyPh₂ tetrameric complex with
ellipsoids at 30% probability. A second unique but similar molecule of the
complex, minor disordered components, and hydrogen atoms are omitted for
clarity. 

Figure 2. Molecular diagram of the 1:2 AgI:PCyPh₂ dimeric complex with
ellipsoids at 30% probability. Hydrogen atoms are omitted for clarity. 

Figure 3. Molecular diagram of the 1:3 AgI:PCyPh₂ monomeric complex with
ellipsoids at 30% probability. Cocrystallized solvent molecules, and hydrogen
atoms omitted for clarity.
;
_publ_section_exptl_prep
;
Synthesis of [Ag(PCyPh₂)I]₄: 1 equivalent of AgI and 1.1 equivalents of
diphenylcyclohexylphosphine were added in vial containing anhydrous
tetrahydrofuran (THF).The mixture was allowed to stir for 3 h at r.t in
darkness, then removal of THF and filtering with pentane yielded a white
powder. Colorless crystals were grown by layering pentane over
methylenechloride at r.t in the dark. (yield 50%)

Synthesis of [Ag(PCyPh₂)₂I]₂: 1 equivalent of AgI and 2.1 equivalents of
diphenylcyclohexylphosphine were added in a vial containing anhydrous
methylenechloride.The mixture was allowed to stir for 3 h at r.t in darkness.
Colorless crystals were grown by slow cooling of a saturated methylenechloride
solution from ambient to 0 °C in the dark. (yield 54%).

Synthesis of Ag(PCyPh₂)₃I: 1 equivalent of AgI and 3.1 equivalents of
diphenylcyclohexylphosphine were added in vial containing anhydrous
methylenechloride.The mixture was allowed to stir for 18 h at 45°C in
darkness. Colorless crystals were grown by slow cooling of a saturated
methylenechloride solution from ambient to 0 °C in the dark. (yield 43%).
;
_publ_section_exptl_refinement
;
The cocrystallized solvent molecules in Ag(PCyPh₂)₃I were treated as
diffuse contributions using Squeeze filter in PLATON (Spek, 2003) 

Three symmetry unique phenyl groups in [Ag(PCyPh₂)I]₄ were located
disordered each in two positions and were treated as rigid hexagons with
refined site occupancies of 67/33, 70/30 and 78/22 and were subjected to rigid
bond restraints. Equal atomic displacement parameters were applied to
chemically equivalent atoms in the disordered contributions and bond distances
were restrained to be the same. An anti-bumping restraint was applied to C(64)
which is a carbon atom of a minor disordered contributor.

Hydrogen atoms were applied at calculated positions with Uiso
equal to 0.20Ueq of the bonded C atom with C---H restrained to
0.99 Å.
;
#==============================================================================
_publ_manuscript_text
# Used for convenience to store draft or replaced versions
# of the abstract, comment etc.
# Its contents will not be output
;
?
;

#==============================================================================


  
data_xray002 

_audit_update_record
;
2007-06-05 # Formatted by publCIF
;
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C72 H84 Ag2 I2 P4' 
_chemical_formula_weight          1542.81 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'C 2/c'
_symmetry_space_group_name_Hall   '-C 2yc'
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z+1/2' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, -y, z-1/2' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, -y+1/2, z-1/2' 
  
_cell_length_a                    27.805(4) 
_cell_length_b                    13.3327(17) 
_cell_length_c                    17.598(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  93.474(13) 
_cell_angle_gamma                 90.00 
_cell_volume                      6511.8(19) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     120(2) 
_cell_measurement_reflns_used     934 
_cell_measurement_theta_min       2.67 
_cell_measurement_theta_max       22.08 
  
_exptl_crystal_description        tabular 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.38 
_exptl_crystal_size_mid           0.24 
_exptl_crystal_size_min           0.16 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.574 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3104 
_exptl_absorpt_coefficient_mu     1.689 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.5556 
_exptl_absorpt_correction_T_max   0.7629
_exptl_absorpt_process_details    'SADABS (Bruker, 2002)' 
  
_exptl_special_details 
; 
Data collection is performed with four batch runs at 
φ = 0.00 ° (600 frames), at φ = 90.00 ° 
(600 frames), at φ = 180 ° (600 frames) and 
at φ = 270 ° (600 frames). 
Frame width = 0.30 \& in ω. Data is 
merged, corrected for decay, and treated with 
multi-scan absorption corrections. 
; 
  
_diffrn_ambient_temperature       120(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker AXS APEX diffractometer' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  836.6 
_diffrn_standards_number          0 
_diffrn_standards_interval_count  0 
_diffrn_standards_interval_time   0 
_diffrn_standards_decay_%         1 
_diffrn_reflns_number             30202 
_diffrn_reflns_av_R_equivalents   0.0989 
_diffrn_reflns_av_sigmaI/netI     0.0701 
_diffrn_reflns_limit_h_min        -32 
_diffrn_reflns_limit_h_max        32 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -20 
_diffrn_reflns_limit_l_max        20 
_diffrn_reflns_theta_min          2.03 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              5724 
_reflns_number_gt                 4448 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'SMART (Bruker, 2002)' 
_computing_cell_refinement        'SAINT (Bruker, 2002)' 
_computing_data_reduction         'SAINT (Bruker, 2002)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL (Bruker, 2002)' 
_computing_publication_material   'SHELXTL (Bruker, 2002)'
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0207P)²] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5724 
_refine_ls_number_parameters      361 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0571 
_refine_ls_R_factor_gt            0.0394 
_refine_ls_wR_factor_ref          0.0898 
_refine_ls_wR_factor_gt           0.0814 
_refine_ls_goodness_of_fit_ref    1.054 
_refine_ls_restrained_S_all       1.054 
_refine_ls_shift/su_max           0.005 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 0.936332(13) 0.23521(3) 0.22857(2) 0.02529(11) Uani 1 1 d . . . 
I1 I 1.011583(11) 0.21772(2) 0.122587(17) 0.02443(10) Uani 1 1 d . . . 
P1 P 0.87855(4) 0.08676(9) 0.22706(7) 0.0218(3) Uani 1 1 d . . . 
P2 P 0.89485(4) 0.40206(9) 0.21388(7) 0.0238(3) Uani 1 1 d . . . 
C1 C 0.86182(16) -0.0960(3) 0.3073(3) 0.0258(11) Uani 1 1 d . . . 
H1A H 0.8616 -0.1352 0.2595 0.031 Uiso 1 1 calc R . . 
H1B H 0.8286 -0.0719 0.3137 0.031 Uiso 1 1 calc R . . 
C2 C 0.87775(17) -0.1632(4) 0.3743(3) 0.0345(13) Uani 1 1 d . . . 
H2A H 0.8736 -0.1265 0.4223 0.041 Uiso 1 1 calc R . . 
H2B H 0.8567 -0.2231 0.3739 0.041 Uiso 1 1 calc R . . 
C3 C 0.92953(17) -0.1967(3) 0.3723(3) 0.0347(13) Uani 1 1 d . . . 
H3A H 0.9325 -0.2442 0.3296 0.042 Uiso 1 1 calc R . . 
H3B H 0.9391 -0.2324 0.4202 0.042 Uiso 1 1 calc R . . 
C4 C 0.96339(17) -0.1084(3) 0.3626(3) 0.0314(12) Uani 1 1 d . . . 
H4A H 0.9652 -0.0679 0.4099 0.038 Uiso 1 1 calc R . . 
H4B H 0.9961 -0.1340 0.3547 0.038 Uiso 1 1 calc R . . 
C5 C 0.94707(15) -0.0418(3) 0.2958(3) 0.0241(11) Uani 1 1 d . . . 
H5A H 0.9496 -0.0793 0.2477 0.029 Uiso 1 1 calc R . . 
H5B H 0.9685 0.0175 0.2945 0.029 Uiso 1 1 calc R . . 
C6 C 0.89525(15) -0.0071(3) 0.3020(3) 0.0236(11) Uani 1 1 d . . . 
H6A H 0.8945 0.0291 0.3517 0.028 Uiso 1 1 calc R . . 
C7 C 0.82980(17) -0.0480(4) 0.1225(3) 0.0313(12) Uani 1 1 d . . . 
H7A H 0.8026 -0.0438 0.1526 0.038 Uiso 1 1 calc R . . 
C8 C 0.82872(19) -0.1112(4) 0.0600(3) 0.0399(14) Uani 1 1 d . . . 
H8A H 0.8002 -0.1479 0.0462 0.048 Uiso 1 1 calc R . . 
C9 C 0.86880(19) -0.1215(4) 0.0171(3) 0.0345(13) Uani 1 1 d . . . 
H9A H 0.8681 -0.1672 -0.0244 0.041 Uiso 1 1 calc R . . 
C10 C 0.90939(19) -0.0653(4) 0.0349(3) 0.0331(12) Uani 1 1 d . . . 
H10A H 0.9367 -0.0712 0.0052 0.040 Uiso 1 1 calc R . . 
C11 C 0.91036(17) 0.0005(3) 0.0967(3) 0.0264(11) Uani 1 1 d . . . 
H11A H 0.9384 0.0395 0.1086 0.032 Uiso 1 1 calc R . . 
C12 C 0.87082(17) 0.0097(3) 0.1414(3) 0.0257(11) Uani 1 1 d . . . 
C13 C 0.80198(16) 0.1262(3) 0.3217(3) 0.0258(11) Uani 1 1 d . . . 
H13A H 0.8223 0.1006 0.3625 0.031 Uiso 1 1 calc R . . 
C14 C 0.75725(17) 0.1661(3) 0.3368(3) 0.0322(12) Uani 1 1 d . . . 
H14A H 0.7472 0.1675 0.3875 0.039 Uiso 1 1 calc R . . 
C15 C 0.72758(18) 0.2036(4) 0.2778(3) 0.0385(14) Uani 1 1 d . . . 
H15A H 0.6973 0.2323 0.2879 0.046 Uiso 1 1 calc R . . 
C16 C 0.74172(18) 0.1995(4) 0.2052(3) 0.0398(14) Uani 1 1 d . . . 
H16A H 0.7207 0.2232 0.1646 0.048 Uiso 1 1 calc R . . 
C17 C 0.78624(16) 0.1612(4) 0.1898(3) 0.0325(12) Uani 1 1 d . . . 
H17A H 0.7958 0.1607 0.1388 0.039 Uiso 1 1 calc R . . 
C18 C 0.81737(15) 0.1233(3) 0.2479(3) 0.0248(11) Uani 1 1 d . . . 
C19 C 0.83838(17) 0.3677(3) 0.3350(3) 0.0268(11) Uani 1 1 d . . . 
H19A H 0.8584 0.3071 0.3447 0.032 Uiso 1 1 calc R . . 
H19B H 0.8114 0.3496 0.2982 0.032 Uiso 1 1 calc R . . 
C20 C 0.81820(17) 0.4027(4) 0.4094(3) 0.0324(12) Uani 1 1 d . . . 
H20A H 0.7939 0.4558 0.3982 0.039 Uiso 1 1 calc R . . 
H20B H 0.8019 0.3457 0.4331 0.039 Uiso 1 1 calc R . . 
C21 C 0.85711(19) 0.4429(4) 0.4649(3) 0.0354(13) Uani 1 1 d . . . 
H21A H 0.8420 0.4715 0.5096 0.042 Uiso 1 1 calc R . . 
H21B H 0.8783 0.3870 0.4830 0.042 Uiso 1 1 calc R . . 
C22 C 0.88707(18) 0.5224(4) 0.4294(3) 0.0355(13) Uani 1 1 d . . . 
H22A H 0.8668 0.5822 0.4180 0.043 Uiso 1 1 calc R . . 
H22B H 0.9136 0.5425 0.4662 0.043 Uiso 1 1 calc R . . 
C23 C 0.90791(16) 0.4870(3) 0.3574(3) 0.0274(11) Uani 1 1 d . . . 
H23A H 0.9313 0.4325 0.3695 0.033 Uiso 1 1 calc R . . 
H23B H 0.9254 0.5430 0.3344 0.033 Uiso 1 1 calc R . . 
C24 C 0.86880(16) 0.4490(3) 0.3005(3) 0.0270(11) Uani 1 1 d . . . 
H24A H 0.8472 0.5066 0.2858 0.032 Uiso 1 1 calc R . . 
C25 C 0.85027(17) 0.3252(3) 0.0829(3) 0.0277(11) Uani 1 1 d . . . 
H25A H 0.8797 0.2895 0.0800 0.033 Uiso 1 1 calc R . . 
C26 C 0.81439(19) 0.3152(4) 0.0253(3) 0.0346(13) Uani 1 1 d . . . 
H26A H 0.8192 0.2722 -0.0166 0.042 Uiso 1 1 calc R . . 
C27 C 0.77145(18) 0.3678(4) 0.0283(3) 0.0341(13) Uani 1 1 d . . . 
H27A H 0.7471 0.3621 -0.0117 0.041 Uiso 1 1 calc R . . 
C28 C 0.76458(17) 0.4282(4) 0.0900(3) 0.0302(12) Uani 1 1 d . . . 
H28A H 0.7351 0.4637 0.0930 0.036 Uiso 1 1 calc R . . 
C29 C 0.80011(17) 0.4378(3) 0.1477(3) 0.0281(12) Uani 1 1 d . . . 
H29A H 0.7948 0.4798 0.1900 0.034 Uiso 1 1 calc R . . 
C30 C 0.84357(16) 0.3867(3) 0.1447(3) 0.0241(11) Uani 1 1 d . . . 
C31 C 0.95789(16) 0.5014(3) 0.1230(3) 0.0276(11) Uani 1 1 d . . . 
H31A H 0.9705 0.4364 0.1145 0.033 Uiso 1 1 calc R . . 
C32 C 0.97607(17) 0.5842(4) 0.0841(3) 0.0335(12) Uani 1 1 d . . . 
H32A H 1.0020 0.5757 0.0519 0.040 Uiso 1 1 calc R . . 
C33 C 0.95618(17) 0.6771(4) 0.0929(3) 0.0306(12) Uani 1 1 d . . . 
H33A H 0.9666 0.7320 0.0636 0.037 Uiso 1 1 calc R . . 
C34 C 0.92163(19) 0.6915(4) 0.1434(3) 0.0402(14) Uani 1 1 d . . . 
H34A H 0.9100 0.7573 0.1521 0.048 Uiso 1 1 calc R . . 
C35 C 0.90309(17) 0.6105(3) 0.1825(3) 0.0327(12) Uani 1 1 d . . . 
H35A H 0.8777 0.6207 0.2153 0.039 Uiso 1 1 calc R . . 
C36 C 0.92213(16) 0.5132(3) 0.1732(3) 0.0263(11) Uani 1 1 d . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 P2 2.5120(12) . ? 
Ag1 P1 2.5485(12) . ? 
Ag1 I1 2.8955(6) . ? 
Ag1 I1 2.9245(7) 2_755 ? 
I1 Ag1 2.9245(7) 2_755 ? 
P1 C12 1.826(5) . ? 
P1 C18 1.828(4) . ? 
P1 C6 1.856(4) . ? 
P2 C36 1.830(5) . ? 
P2 C30 1.829(5) . ? 
P2 C24 1.837(5) . ? 
C1 C6 1.513(6) . ? 
C1 C2 1.525(6) . ? 
C1 H1A 0.9900 . ? 
C1 H1B 0.9900 . ? 
C2 C3 1.510(6) . ? 
C2 H2A 0.9900 . ? 
C2 H2B 0.9900 . ? 
C3 C4 1.524(6) . ? 
C3 H3A 0.9900 . ? 
C3 H3B 0.9900 . ? 
C4 C5 1.520(6) . ? 
C4 H4A 0.9900 . ? 
C4 H4B 0.9900 . ? 
C5 C6 1.524(6) . ? 
C5 H5A 0.9900 . ? 
C5 H5B 0.9900 . ? 
C6 H6A 1.0000 . ? 
C7 C8 1.384(7) . ? 
C7 C12 1.399(6) . ? 
C7 H7A 0.9500 . ? 
C8 C9 1.391(7) . ? 
C8 H8A 0.9500 . ? 
C9 C10 1.374(7) . ? 
C9 H9A 0.9500 . ? 
C10 C11 1.397(6) . ? 
C10 H10A 0.9500 . ? 
C11 C12 1.396(6) . ? 
C11 H11A 0.9500 . ? 
C13 C18 1.392(6) . ? 
C13 C14 1.393(6) . ? 
C13 H13A 0.9500 . ? 
C14 C15 1.380(7) . ? 
C14 H14A 0.9500 . ? 
C15 C16 1.360(7) . ? 
C15 H15A 0.9500 . ? 
C16 C17 1.381(6) . ? 
C16 H16A 0.9500 . ? 
C17 C18 1.395(6) . ? 
C17 H17A 0.9500 . ? 
C19 C24 1.523(6) . ? 
C19 C20 1.529(6) . ? 
C19 H19A 0.9900 . ? 
C19 H19B 0.9900 . ? 
C20 C21 1.511(6) . ? 
C20 H20A 0.9900 . ? 
C20 H20B 0.9900 . ? 
C21 C22 1.508(7) . ? 
C21 H21A 0.9900 . ? 
C21 H21B 0.9900 . ? 
C22 C23 1.501(6) . ? 
C22 H22A 0.9900 . ? 
C22 H22B 0.9900 . ? 
C23 C24 1.520(6) . ? 
C23 H23A 0.9900 . ? 
C23 H23B 0.9900 . ? 
C24 H24A 1.0000 . ? 
C25 C30 1.384(6) . ? 
C25 C26 1.385(7) . ? 
C25 H25A 0.9500 . ? 
C26 C27 1.388(7) . ? 
C26 H26A 0.9500 . ? 
C27 C28 1.375(6) . ? 
C27 H27A 0.9500 . ? 
C28 C29 1.379(6) . ? 
C28 H28A 0.9500 . ? 
C29 C30 1.391(6) . ? 
C29 H29A 0.9500 . ? 
C31 C36 1.379(6) . ? 
C31 C32 1.409(6) . ? 
C31 H31A 0.9500 . ? 
C32 C33 1.369(6) . ? 
C32 H32A 0.9500 . ? 
C33 C34 1.361(7) . ? 
C33 H33A 0.9500 . ? 
C34 C35 1.396(6) . ? 
C34 H34A 0.9500 . ? 
C35 C36 1.414(6) . ? 
C35 H35A 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
P2 Ag1 P1 113.67(4) . . ? 
P2 Ag1 I1 110.50(3) . . ? 
P1 Ag1 I1 114.23(3) . . ? 
P2 Ag1 I1 111.24(3) . 2_755 ? 
P1 Ag1 I1 103.01(3) . 2_755 ? 
I1 Ag1 I1 103.45(2) . 2_755 ? 
Ag1 I1 Ag1 75.796(19) . 2_755 ? 
C12 P1 C18 104.6(2) . . ? 
C12 P1 C6 102.7(2) . . ? 
C18 P1 C6 103.4(2) . . ? 
C12 P1 Ag1 119.22(15) . . ? 
C18 P1 Ag1 112.61(15) . . ? 
C6 P1 Ag1 112.67(14) . . ? 
C36 P2 C30 98.9(2) . . ? 
C36 P2 C24 104.0(2) . . ? 
C30 P2 C24 105.1(2) . . ? 
C36 P2 Ag1 123.97(15) . . ? 
C30 P2 Ag1 107.71(15) . . ? 
C24 P2 Ag1 114.71(16) . . ? 
C6 C1 C2 111.0(4) . . ? 
C6 C1 H1A 109.4 . . ? 
C2 C1 H1A 109.4 . . ? 
C6 C1 H1B 109.4 . . ? 
C2 C1 H1B 109.4 . . ? 
H1A C1 H1B 108.0 . . ? 
C3 C2 C1 112.9(4) . . ? 
C3 C2 H2A 109.0 . . ? 
C1 C2 H2A 109.0 . . ? 
C3 C2 H2B 109.0 . . ? 
C1 C2 H2B 109.0 . . ? 
H2A C2 H2B 107.8 . . ? 
C2 C3 C4 111.8(4) . . ? 
C2 C3 H3A 109.3 . . ? 
C4 C3 H3A 109.3 . . ? 
C2 C3 H3B 109.3 . . ? 
C4 C3 H3B 109.3 . . ? 
H3A C3 H3B 107.9 . . ? 
C5 C4 C3 112.3(4) . . ? 
C5 C4 H4A 109.1 . . ? 
C3 C4 H4A 109.1 . . ? 
C5 C4 H4B 109.1 . . ? 
C3 C4 H4B 109.1 . . ? 
H4A C4 H4B 107.9 . . ? 
C4 C5 C6 111.2(4) . . ? 
C4 C5 H5A 109.4 . . ? 
C6 C5 H5A 109.4 . . ? 
C4 C5 H5B 109.4 . . ? 
C6 C5 H5B 109.4 . . ? 
H5A C5 H5B 108.0 . . ? 
C1 C6 C5 110.7(4) . . ? 
C1 C6 P1 116.4(3) . . ? 
C5 C6 P1 110.5(3) . . ? 
C1 C6 H6A 106.2 . . ? 
C5 C6 H6A 106.2 . . ? 
P1 C6 H6A 106.2 . . ? 
C8 C7 C12 120.1(5) . . ? 
C8 C7 H7A 119.9 . . ? 
C12 C7 H7A 119.9 . . ? 
C7 C8 C9 120.8(5) . . ? 
C7 C8 H8A 119.6 . . ? 
C9 C8 H8A 119.6 . . ? 
C10 C9 C8 119.8(5) . . ? 
C10 C9 H9A 120.1 . . ? 
C8 C9 H9A 120.1 . . ? 
C9 C10 C11 119.8(5) . . ? 
C9 C10 H10A 120.1 . . ? 
C11 C10 H10A 120.1 . . ? 
C12 C11 C10 121.1(4) . . ? 
C12 C11 H11A 119.5 . . ? 
C10 C11 H11A 119.5 . . ? 
C11 C12 C7 118.4(4) . . ? 
C11 C12 P1 117.2(3) . . ? 
C7 C12 P1 124.0(4) . . ? 
C18 C13 C14 121.1(5) . . ? 
C18 C13 H13A 119.4 . . ? 
C14 C13 H13A 119.4 . . ? 
C15 C14 C13 119.7(5) . . ? 
C15 C14 H14A 120.2 . . ? 
C13 C14 H14A 120.2 . . ? 
C16 C15 C14 119.9(5) . . ? 
C16 C15 H15A 120.1 . . ? 
C14 C15 H15A 120.1 . . ? 
C15 C16 C17 120.9(5) . . ? 
C15 C16 H16A 119.6 . . ? 
C17 C16 H16A 119.6 . . ? 
C16 C17 C18 120.9(5) . . ? 
C16 C17 H17A 119.6 . . ? 
C18 C17 H17A 119.6 . . ? 
C13 C18 C17 117.6(4) . . ? 
C13 C18 P1 122.5(3) . . ? 
C17 C18 P1 119.5(4) . . ? 
C24 C19 C20 111.5(4) . . ? 
C24 C19 H19A 109.3 . . ? 
C20 C19 H19A 109.3 . . ? 
C24 C19 H19B 109.3 . . ? 
C20 C19 H19B 109.3 . . ? 
H19A C19 H19B 108.0 . . ? 
C21 C20 C19 112.1(4) . . ? 
C21 C20 H20A 109.2 . . ? 
C19 C20 H20A 109.2 . . ? 
C21 C20 H20B 109.2 . . ? 
C19 C20 H20B 109.2 . . ? 
H20A C20 H20B 107.9 . . ? 
C22 C21 C20 111.9(4) . . ? 
C22 C21 H21A 109.2 . . ? 
C20 C21 H21A 109.2 . . ? 
C22 C21 H21B 109.2 . . ? 
C20 C21 H21B 109.2 . . ? 
H21A C21 H21B 107.9 . . ? 
C23 C22 C21 112.4(4) . . ? 
C23 C22 H22A 109.1 . . ? 
C21 C22 H22A 109.1 . . ? 
C23 C22 H22B 109.1 . . ? 
C21 C22 H22B 109.1 . . ? 
H22A C22 H22B 107.9 . . ? 
C22 C23 C24 111.3(4) . . ? 
C22 C23 H23A 109.4 . . ? 
C24 C23 H23A 109.4 . . ? 
C22 C23 H23B 109.4 . . ? 
C24 C23 H23B 109.4 . . ? 
H23A C23 H23B 108.0 . . ? 
C23 C24 C19 111.6(4) . . ? 
C23 C24 P2 111.0(3) . . ? 
C19 C24 P2 110.1(3) . . ? 
C23 C24 H24A 108.0 . . ? 
C19 C24 H24A 108.0 . . ? 
P2 C24 H24A 108.0 . . ? 
C30 C25 C26 120.4(5) . . ? 
C30 C25 H25A 119.8 . . ? 
C26 C25 H25A 119.8 . . ? 
C25 C26 C27 120.4(5) . . ? 
C25 C26 H26A 119.8 . . ? 
C27 C26 H26A 119.8 . . ? 
C28 C27 C26 119.2(5) . . ? 
C28 C27 H27A 120.4 . . ? 
C26 C27 H27A 120.4 . . ? 
C27 C28 C29 120.5(5) . . ? 
C27 C28 H28A 119.7 . . ? 
C29 C28 H28A 119.7 . . ? 
C28 C29 C30 120.8(4) . . ? 
C28 C29 H29A 119.6 . . ? 
C30 C29 H29A 119.6 . . ? 
C25 C30 C29 118.6(4) . . ? 
C25 C30 P2 116.9(4) . . ? 
C29 C30 P2 124.3(4) . . ? 
C36 C31 C32 121.1(4) . . ? 
C36 C31 H31A 119.5 . . ? 
C32 C31 H31A 119.5 . . ? 
C33 C32 C31 119.6(5) . . ? 
C33 C32 H32A 120.2 . . ? 
C31 C32 H32A 120.2 . . ? 
C34 C33 C32 120.5(5) . . ? 
C34 C33 H33A 119.8 . . ? 
C32 C33 H33A 119.8 . . ? 
C33 C34 C35 120.6(5) . . ? 
C33 C34 H34A 119.7 . . ? 
C35 C34 H34A 119.7 . . ? 
C34 C35 C36 120.1(5) . . ? 
C34 C35 H35A 120.0 . . ? 
C36 C35 H35A 120.0 . . ? 
C31 C36 C35 117.9(4) . . ? 
C31 C36 P2 119.4(3) . . ? 
C35 C36 P2 122.1(4) . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
P2 Ag1 I1 Ag1 109.76(3) . . . 2_755 ? 
P1 Ag1 I1 Ag1 -120.58(3) . . . 2_755 ? 
I1 Ag1 I1 Ag1 -9.389(18) 2_755 . . 2_755 ? 
P2 Ag1 P1 C12 103.52(17) . . . . ? 
I1 Ag1 P1 C12 -24.55(18) . . . . ? 
I1 Ag1 P1 C12 -136.00(17) 2_755 . . . ? 
P2 Ag1 P1 C18 -19.52(18) . . . . ? 
I1 Ag1 P1 C18 -147.59(17) . . . . ? 
I1 Ag1 P1 C18 100.95(17) 2_755 . . . ? 
P2 Ag1 P1 C6 -136.07(16) . . . . ? 
I1 Ag1 P1 C6 95.85(16) . . . . ? 
I1 Ag1 P1 C6 -15.60(16) 2_755 . . . ? 
P1 Ag1 P2 C36 -152.97(19) . . . . ? 
I1 Ag1 P2 C36 -23.0(2) . . . . ? 
I1 Ag1 P2 C36 91.30(19) 2_755 . . . ? 
P1 Ag1 P2 C30 -38.67(16) . . . . ? 
I1 Ag1 P2 C30 91.30(15) . . . . ? 
I1 Ag1 P2 C30 -154.39(15) 2_755 . . . ? 
P1 Ag1 P2 C24 77.90(17) . . . . ? 
I1 Ag1 P2 C24 -152.14(16) . . . . ? 
I1 Ag1 P2 C24 -37.83(17) 2_755 . . . ? 
C6 C1 C2 C3 -54.6(6) . . . . ? 
C1 C2 C3 C4 51.6(6) . . . . ? 
C2 C3 C4 C5 -51.4(6) . . . . ? 
C3 C4 C5 C6 54.2(5) . . . . ? 
C2 C1 C6 C5 56.5(5) . . . . ? 
C2 C1 C6 P1 -176.2(3) . . . . ? 
C4 C5 C6 C1 -56.8(5) . . . . ? 
C4 C5 C6 P1 172.8(3) . . . . ? 
C12 P1 C6 C1 -52.7(4) . . . . ? 
C18 P1 C6 C1 55.9(4) . . . . ? 
Ag1 P1 C6 C1 177.8(3) . . . . ? 
C12 P1 C6 C5 74.6(3) . . . . ? 
C18 P1 C6 C5 -176.8(3) . . . . ? 
Ag1 P1 C6 C5 -54.9(3) . . . . ? 
C12 C7 C8 C9 2.7(8) . . . . ? 
C7 C8 C9 C10 -2.7(8) . . . . ? 
C8 C9 C10 C11 1.1(7) . . . . ? 
C9 C10 C11 C12 0.5(7) . . . . ? 
C10 C11 C12 C7 -0.5(7) . . . . ? 
C10 C11 C12 P1 173.1(4) . . . . ? 
C8 C7 C12 C11 -1.1(7) . . . . ? 
C8 C7 C12 P1 -174.2(4) . . . . ? 
C18 P1 C12 C11 157.7(4) . . . . ? 
C6 P1 C12 C11 -94.5(4) . . . . ? 
Ag1 P1 C12 C11 30.8(4) . . . . ? 
C18 P1 C12 C7 -29.1(5) . . . . ? 
C6 P1 C12 C7 78.7(4) . . . . ? 
Ag1 P1 C12 C7 -156.0(3) . . . . ? 
C18 C13 C14 C15 -0.1(7) . . . . ? 
C13 C14 C15 C16 1.4(7) . . . . ? 
C14 C15 C16 C17 -2.2(8) . . . . ? 
C15 C16 C17 C18 1.7(8) . . . . ? 
C14 C13 C18 C17 -0.4(7) . . . . ? 
C14 C13 C18 P1 171.9(3) . . . . ? 
C16 C17 C18 C13 -0.4(7) . . . . ? 
C16 C17 C18 P1 -173.0(4) . . . . ? 
C12 P1 C18 C13 139.8(4) . . . . ? 
C6 P1 C18 C13 32.6(4) . . . . ? 
Ag1 P1 C18 C13 -89.4(4) . . . . ? 
C12 P1 C18 C17 -48.1(4) . . . . ? 
C6 P1 C18 C17 -155.2(4) . . . . ? 
Ag1 P1 C18 C17 82.8(4) . . . . ? 
C24 C19 C20 C21 -52.4(5) . . . . ? 
C19 C20 C21 C22 52.6(6) . . . . ? 
C20 C21 C22 C23 -54.3(6) . . . . ? 
C21 C22 C23 C24 55.3(5) . . . . ? 
C22 C23 C24 C19 -54.9(5) . . . . ? 
C22 C23 C24 P2 -178.1(3) . . . . ? 
C20 C19 C24 C23 53.5(5) . . . . ? 
C20 C19 C24 P2 177.2(3) . . . . ? 
C36 P2 C24 C23 -64.1(4) . . . . ? 
C30 P2 C24 C23 -167.5(3) . . . . ? 
Ag1 P2 C24 C23 74.4(3) . . . . ? 
C36 P2 C24 C19 171.9(3) . . . . ? 
C30 P2 C24 C19 68.4(4) . . . . ? 
Ag1 P2 C24 C19 -49.6(4) . . . . ? 
C30 C25 C26 C27 0.7(7) . . . . ? 
C25 C26 C27 C28 -1.3(7) . . . . ? 
C26 C27 C28 C29 0.9(7) . . . . ? 
C27 C28 C29 C30 0.1(7) . . . . ? 
C26 C25 C30 C29 0.3(7) . . . . ? 
C26 C25 C30 P2 -175.4(4) . . . . ? 
C28 C29 C30 C25 -0.7(7) . . . . ? 
C28 C29 C30 P2 174.7(4) . . . . ? 
C36 P2 C30 C25 91.6(4) . . . . ? 
C24 P2 C30 C25 -161.2(4) . . . . ? 
Ag1 P2 C30 C25 -38.5(4) . . . . ? 
C36 P2 C30 C29 -83.9(4) . . . . ? 
C24 P2 C30 C29 23.3(4) . . . . ? 
Ag1 P2 C30 C29 146.0(4) . . . . ? 
C36 C31 C32 C33 -3.7(8) . . . . ? 
C31 C32 C33 C34 5.1(8) . . . . ? 
C32 C33 C34 C35 -5.2(8) . . . . ? 
C33 C34 C35 C36 3.7(8) . . . . ? 
C32 C31 C36 C35 2.2(7) . . . . ? 
C32 C31 C36 P2 172.9(4) . . . . ? 
C34 C35 C36 C31 -2.2(7) . . . . ? 
C34 C35 C36 P2 -172.7(4) . . . . ? 
C30 P2 C36 C31 -93.2(4) . . . . ? 
C24 P2 C36 C31 158.8(4) . . . . ? 
Ag1 P2 C36 C31 25.3(5) . . . . ? 
C30 P2 C36 C35 77.2(4) . . . . ? 
C24 P2 C36 C35 -30.9(5) . . . . ? 
Ag1 P2 C36 C35 -164.3(3) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.938 
_refine_diff_density_min   -0.497 
_refine_diff_density_rms    0.116 

  
data_xray012a 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C72 H84 Ag4 I4 P4' 
_chemical_formula_weight          2012.35 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'C 2'
_symmetry_space_group_name_Hall   'C 2y' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z' 
  
_cell_length_a                    24.698(9) 
_cell_length_b                    12.404(5) 
_cell_length_c                    24.328(9) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  104.145(7) 
_cell_angle_gamma                 90.00 
_cell_volume                      7227(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     120(2) 
_cell_measurement_reflns_used     998 
_cell_measurement_theta_min       0.00 
_cell_measurement_theta_max       0.00 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.15 
_exptl_crystal_size_mid           0.14 
_exptl_crystal_size_min           0.09 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.849 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3904 
_exptl_absorpt_coefficient_mu     2.905 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.6516
_exptl_absorpt_correction_T_max   0.7665 
_exptl_absorpt_process_details    'SADABS (Bruker, 2002)' 
  
_exptl_special_details 
; 
Data collection is performed with four batch runs at 
φ = 0.00 ° (600 frames), at φ = 90.00 ° 
(600 frames), at φ = 180 ° (600 frames) and 
at φ = 270 ° (600 frames). 
Frame width = 0.30 \& in ω. Data is 
merged, corrected for decay, and treated with 
multi-scan absorption corrections. 
; 
  
_diffrn_ambient_temperature       120(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker AXS APEX diffractometer' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  836.6 
_diffrn_standards_number          0 
_diffrn_standards_interval_count  0 
_diffrn_standards_interval_time   0 
_diffrn_standards_decay_%         1 
_diffrn_reflns_number             42119 
_diffrn_reflns_av_R_equivalents   0.0409 
_diffrn_reflns_av_sigmaI/netI     0.0432 
_diffrn_reflns_limit_h_min        -32 
_diffrn_reflns_limit_h_max        32 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -31 
_diffrn_reflns_limit_l_max        32 
_diffrn_reflns_theta_min          1.71 
_diffrn_reflns_theta_max          28.34 
_reflns_number_total              16990 
_reflns_number_gt                 15397 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'SMART (Bruker, 2002)' 
_computing_cell_refinement        'SAINT (Bruker, 2002)' 
_computing_data_reduction         'SAINT (Bruker, 2002)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL (Bruker, 2002)' 
_computing_publication_material   'SHELXTL (Bruker, 2002)'
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0456P)²+26.0708P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack (1983), 7870 Friedel pairs' 
_refine_ls_abs_structure_Flack    -0.029(18) 
_refine_ls_number_reflns          16990 
_refine_ls_number_parameters      742 
_refine_ls_number_restraints      327 
_refine_ls_R_factor_all           0.0495 
_refine_ls_R_factor_gt            0.0431 
_refine_ls_wR_factor_ref          0.1068 
_refine_ls_wR_factor_gt           0.1014 
_refine_ls_goodness_of_fit_ref    1.050 
_refine_ls_restrained_S_all       1.050 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 0.57326(3) 0.94301(5) 0.52831(3) 0.06118(18) Uani 1 1 d . . . 
Ag2 Ag 0.49338(3) 0.74512(5) 0.57164(2) 0.04812(14) Uani 1 1 d . . . 
Ag3 Ag 1.01975(3) 0.55462(5) 0.07637(3) 0.05755(17) Uani 1 1 d . . . 
Ag4 Ag 0.93112(2) 0.35289(4) 0.00325(3) 0.04431(13) Uani 1 1 d . . . 
I1 I 0.591930(19) 0.70934(4) 0.53562(2) 0.04137(11) Uani 1 1 d . . . 
I2 I 0.48125(2) 0.97682(4) 0.58617(2) 0.05396(13) Uani 1 1 d . . . 
I3 I 0.90958(2) 0.58414(3) 0.00354(2) 0.04997(13) Uani 1 1 d . . . 
I4 I 1.027377(18) 0.32713(3) 0.098437(18) 0.03722(9) Uani 1 1 d . . . 
P1 P 0.65521(8) 1.04838(16) 0.57606(8) 0.0425(4) Uani 1 1 d D . . 
P2 P 0.46790(7) 0.64854(14) 0.64952(7) 0.0333(3) Uani 1 1 d . . . 
P3 P 1.04524(11) 0.66022(16) 0.16369(9) 0.0521(5) Uani 1 1 d D . . 
P4 P 0.84888(7) 0.24331(15) 0.00446(7) 0.0372(4) Uani 1 1 d D . . 
C1 C 0.6946(3) 1.1312(6) 0.4848(3) 0.0504(18) Uani 1 1 d . . . 
H1A H 0.6815 1.2028 0.4941 0.060 Uiso 1 1 calc R A . 
H1B H 0.6633 1.0954 0.4577 0.060 Uiso 1 1 calc R . . 
C2 C 0.7433(3) 1.1453(6) 0.4577(4) 0.056(2) Uani 1 1 d . A . 
H2A H 0.7732 1.1868 0.4837 0.067 Uiso 1 1 calc R . . 
H2B H 0.7309 1.1870 0.4222 0.067 Uiso 1 1 calc R . . 
C3 C 0.7666(4) 1.0373(7) 0.4447(4) 0.055(2) Uani 1 1 d . . . 
H3A H 0.7382 0.9995 0.4152 0.066 Uiso 1 1 calc R A . 
H3B H 0.7999 1.0496 0.4296 0.066 Uiso 1 1 calc R . . 
C4 C 0.7824(4) 0.9681(8) 0.4965(4) 0.063(2) Uani 1 1 d . A . 
H4A H 0.8144 1.0010 0.5239 0.076 Uiso 1 1 calc R . . 
H4B H 0.7941 0.8962 0.4860 0.076 Uiso 1 1 calc R . . 
C5 C 0.7329(4) 0.9549(6) 0.5246(4) 0.055(2) Uani 1 1 d . . . 
H5A H 0.7024 0.9144 0.4989 0.066 Uiso 1 1 calc R A . 
H5B H 0.7452 0.9131 0.5602 0.066 Uiso 1 1 calc R . . 
C6 C 0.7114(3) 1.0649(6) 0.5376(3) 0.0465(17) Uani 1 1 d . A . 
H6A H 0.7431 1.1030 0.5638 0.056 Uiso 1 1 calc R . . 
C7 C 0.7451(7) 1.0293(11) 0.6723(6) 0.049(3) Uani 0.67(4) 1 d PGU A 1 
H7A H 0.7581 1.0949 0.6599 0.059 Uiso 0.67(4) 1 calc PR A 1 
C8 C 0.7783(4) 0.9733(16) 0.7177(6) 0.065(3) Uani 0.67(4) 1 d PGU A 1 
H8A H 0.8140 1.0007 0.7364 0.078 Uiso 0.67(4) 1 calc PR A 1 
C9 C 0.7593(8) 0.8773(13) 0.7358(6) 0.084(5) Uani 0.67(4) 1 d PGU A 1 
H9A H 0.7820 0.8391 0.7668 0.101 Uiso 0.67(4) 1 calc PR A 1 
C10 C 0.7071(10) 0.8373(14) 0.7084(7) 0.091(6) Uani 0.67(4) 1 d PGU A 1 
H10A H 0.6942 0.7717 0.7208 0.109 Uiso 0.67(4) 1 calc PR A 1 
C11 C 0.6739(7) 0.8933(16) 0.6630(7) 0.073(5) Uani 0.67(4) 1 d PGU A 1 
H11A H 0.6383 0.8659 0.6443 0.088 Uiso 0.67(4) 1 calc PR A 1 
C12 C 0.6929(6) 0.9892(11) 0.6449(5) 0.048(2) Uani 0.67(4) 1 d PGDU A 1 
C73 C 0.7553(11) 1.002(3) 0.6688(12) 0.049(3) Uani 0.33(4) 1 d PGU A 2 
H73A H 0.7789 1.0477 0.6534 0.059 Uiso 0.33(4) 1 calc PR A 2 
C74 C 0.7773(10) 0.944(3) 0.7179(13) 0.065(3) Uani 0.33(4) 1 d PGU A 2 
H74A H 0.8159 0.9494 0.7361 0.078 Uiso 0.33(4) 1 calc PR A 2 
C75 C 0.7428(18) 0.877(3) 0.7405(12) 0.084(5) Uani 0.33(4) 1 d PGU A 2 
H75A H 0.7579 0.8376 0.7741 0.101 Uiso 0.33(4) 1 calc PR A 2 
C76 C 0.6864(17) 0.869(3) 0.7139(16) 0.091(6) Uani 0.33(4) 1 d PGU A 2 
H76A H 0.6628 0.8241 0.7293 0.109 Uiso 0.33(4) 1 calc PR A 2 
C77 C 0.6644(11) 0.928(3) 0.6647(15) 0.073(5) Uani 0.33(4) 1 d PGU A 2 
H77A H 0.6258 0.9224 0.6465 0.088 Uiso 0.33(4) 1 calc PR A 2 
C78 C 0.6989(12) 0.994(2) 0.6422(10) 0.048(2) Uani 0.33(4) 1 d PGDU A 2 
C13 C 0.6649(4) 1.2421(7) 0.6414(4) 0.056(2) Uani 1 1 d . . . 
H13A H 0.6908 1.2052 0.6707 0.067 Uiso 1 1 calc R A . 
C14 C 0.6532(4) 1.3491(7) 0.6486(4) 0.056(2) Uani 1 1 d . A . 
H14A H 0.6694 1.3842 0.6834 0.068 Uiso 1 1 calc R . . 
C15 C 0.6181(4) 1.4050(7) 0.6054(4) 0.054(2) Uani 1 1 d . . . 
H15A H 0.6113 1.4795 0.6097 0.065 Uiso 1 1 calc R A . 
C16 C 0.5931(4) 1.3525(7) 0.5562(4) 0.058(2) Uani 1 1 d . A . 
H16A H 0.5688 1.3911 0.5265 0.069 Uiso 1 1 calc R . . 
C17 C 0.6029(4) 1.2434(8) 0.5491(4) 0.058(2) Uani 1 1 d . . . 
H17A H 0.5845 1.2074 0.5152 0.069 Uiso 1 1 calc R A . 
C18 C 0.6396(3) 1.1876(6) 0.5920(3) 0.0392(15) Uani 1 1 d . A . 
C19 C 0.5484(3) 0.7426(6) 0.7368(4) 0.0514(18) Uani 1 1 d . . . 
H19A H 0.5196 0.7974 0.7382 0.062 Uiso 1 1 calc R . . 
H19B H 0.5691 0.7669 0.7090 0.062 Uiso 1 1 calc R . . 
C20 C 0.5890(4) 0.7326(7) 0.7957(4) 0.056(2) Uani 1 1 d . . . 
H20A H 0.6095 0.8013 0.8054 0.068 Uiso 1 1 calc R . . 
H20B H 0.5674 0.7194 0.8245 0.068 Uiso 1 1 calc R . . 
C21 C 0.6300(3) 0.6427(8) 0.7976(4) 0.057(2) Uani 1 1 d . . . 
H21A H 0.6561 0.6628 0.7743 0.068 Uiso 1 1 calc R . . 
H21B H 0.6521 0.6333 0.8372 0.068 Uiso 1 1 calc R . . 
C22 C 0.6030(4) 0.5390(7) 0.7768(4) 0.059(2) Uani 1 1 d . . . 
H22A H 0.5817 0.5125 0.8037 0.071 Uiso 1 1 calc R . . 
H22B H 0.6321 0.4850 0.7754 0.071 Uiso 1 1 calc R . . 
C23 C 0.5634(4) 0.5501(7) 0.7177(4) 0.058(2) Uani 1 1 d . . . 
H23A H 0.5851 0.5697 0.6899 0.069 Uiso 1 1 calc R . . 
H23B H 0.5448 0.4801 0.7061 0.069 Uiso 1 1 calc R . . 
C24 C 0.5200(3) 0.6348(5) 0.7175(3) 0.0374(14) Uani 1 1 d . . . 
H24A H 0.4994 0.6130 0.7464 0.045 Uiso 1 1 calc R . . 
C25 C 0.4719(4) 0.4442(7) 0.6074(4) 0.057(2) Uani 1 1 d . . . 
H25A H 0.5020 0.4733 0.5942 0.068 Uiso 1 1 calc R . . 
C26 C 0.4587(4) 0.3355(8) 0.5979(4) 0.065(2) Uani 1 1 d . . . 
H26A H 0.4807 0.2907 0.5803 0.078 Uiso 1 1 calc R . . 
C27 C 0.4141(4) 0.2941(7) 0.6140(4) 0.061(2) Uani 1 1 d . . . 
H27A H 0.4053 0.2197 0.6086 0.074 Uiso 1 1 calc R . . 
C28 C 0.3817(4) 0.3604(8) 0.6382(4) 0.066(2) Uani 1 1 d . . . 
H28A H 0.3492 0.3325 0.6475 0.079 Uiso 1 1 calc R . . 
C29 C 0.3963(4) 0.4690(7) 0.6492(4) 0.0551(19) Uani 1 1 d . . . 
H29A H 0.3741 0.5140 0.6665 0.066 Uiso 1 1 calc R . . 
C30 C 0.4429(3) 0.5105(6) 0.6349(3) 0.0372(14) Uani 1 1 d . . . 
C31 C 0.3631(3) 0.7377(6) 0.6252(3) 0.0455(16) Uani 1 1 d . . . 
H31A H 0.3640 0.7213 0.5873 0.055 Uiso 1 1 calc R . . 
C32 C 0.3156(4) 0.7850(7) 0.6361(4) 0.059(2) Uani 1 1 d . . . 
H32A H 0.2838 0.7973 0.6058 0.071 Uiso 1 1 calc R . . 
C33 C 0.3145(4) 0.8136(8) 0.6895(4) 0.064(2) Uani 1 1 d . . . 
H33A H 0.2820 0.8458 0.6966 0.077 Uiso 1 1 calc R . . 
C34 C 0.3611(4) 0.7957(9) 0.7339(4) 0.069(3) Uani 1 1 d . . . 
H34A H 0.3611 0.8182 0.7712 0.083 Uiso 1 1 calc R . . 
C35 C 0.4076(4) 0.7448(7) 0.7234(3) 0.0533(19) Uani 1 1 d . . . 
H35A H 0.4389 0.7305 0.7540 0.064 Uiso 1 1 calc R . . 
C36 C 0.4087(3) 0.7146(6) 0.6692(3) 0.0395(14) Uani 1 1 d . . . 
C37 C 0.9802(4) 0.5462(6) 0.2222(4) 0.070(2) Uani 1 1 d DU . . 
H37A H 0.9652 0.5065 0.1864 0.084 Uiso 1 1 calc R B . 
H37B H 1.0142 0.5083 0.2432 0.084 Uiso 1 1 calc R . . 
C38 C 0.9372(4) 0.5445(8) 0.2572(5) 0.078(2) Uani 1 1 d DU B . 
H38A H 0.9243 0.4694 0.2595 0.093 Uiso 1 1 calc R . . 
H38B H 0.9551 0.5685 0.2962 0.093 Uiso 1 1 calc R . . 
C39 C 0.8893(4) 0.6122(7) 0.2347(5) 0.086(2) Uani 1 1 d DU . . 
H39A H 0.8675 0.6186 0.2637 0.103 Uiso 1 1 calc R B . 
H39B H 0.8652 0.5754 0.2014 0.103 Uiso 1 1 calc R . . 
C40 C 0.9015(4) 0.7225(7) 0.2172(5) 0.075(2) Uani 1 1 d DU B . 
H40A H 0.9157 0.7670 0.2514 0.090 Uiso 1 1 calc R . . 
H40B H 0.8664 0.7559 0.1952 0.090 Uiso 1 1 calc R . . 
C41 C 0.9441(4) 0.7227(7) 0.1814(4) 0.070(2) Uani 1 1 d DU . . 
H41A H 0.9268 0.6912 0.1438 0.083 Uiso 1 1 calc R B . 
H41B H 0.9545 0.7981 0.1755 0.083 Uiso 1 1 calc R . . 
C42 C 0.9957(4) 0.6603(6) 0.2083(4) 0.0654(19) Uani 1 1 d DU B . 
H42A H 1.0140 0.6967 0.2448 0.078 Uiso 1 1 calc R . . 
C43 C 1.0662(4) 0.8782(7) 0.1958(4) 0.063(2) Uani 1 1 d . . . 
H43A H 1.0648 0.8553 0.2327 0.075 Uiso 1 1 calc R B . 
C44 C 1.0755(4) 0.9838(8) 0.1865(5) 0.074(3) Uani 1 1 d . B . 
H44A H 1.0797 1.0349 0.2164 0.089 Uiso 1 1 calc R . . 
C45 C 1.0787(4) 1.0152(6) 0.1339(6) 0.073(3) Uani 1 1 d . . . 
H45A H 1.0860 1.0888 0.1276 0.088 Uiso 1 1 calc R B . 
C46 C 1.0716(4) 0.9445(7) 0.0901(5) 0.075(3) Uani 1 1 d . B . 
H46A H 1.0735 0.9689 0.0536 0.090 Uiso 1 1 calc R . . 
C47 C 1.0614(4) 0.8354(7) 0.0989(4) 0.060(2) Uani 1 1 d . . . 
H47A H 1.0565 0.7850 0.0687 0.072 Uiso 1 1 calc R B . 
C48 C 1.0588(3) 0.8027(5) 0.1521(3) 0.0489(18) Uani 1 1 d . B . 
C49 C 1.1575(14) 0.603(5) 0.1732(14) 0.063(3) Uani 0.22(3) 1 d PGU B 1 
H49A H 1.1472 0.5995 0.1330 0.076 Uiso 0.22(3) 1 calc PR B 1 
C50 C 1.2121(12) 0.581(4) 0.203(2) 0.074(4) Uani 0.22(3) 1 d PGU B 1 
H50A H 1.2391 0.5624 0.1824 0.089 Uiso 0.22(3) 1 calc PR B 1 
C51 C 1.2271(11) 0.587(4) 0.261(2) 0.078(4) Uani 0.22(3) 1 d PGU B 1 
H51A H 1.2644 0.5716 0.2814 0.094 Uiso 0.22(3) 1 calc PR B 1 
C52 C 1.1875(18) 0.614(4) 0.2909(15) 0.090(5) Uani 0.22(3) 1 d PGU B 1 
H52A H 1.1978 0.6179 0.3311 0.107 Uiso 0.22(3) 1 calc PR B 1 
C53 C 1.1329(16) 0.636(4) 0.2616(16) 0.072(4) Uani 0.22(3) 1 d PGU B 1 
H53A H 1.1059 0.6550 0.2818 0.086 Uiso 0.22(3) 1 calc PR B 1 
C54 C 1.1179(10) 0.631(5) 0.2028(16) 0.058(3) Uani 0.22(3) 1 d PGDU B 1 
C85 C 1.1550(4) 0.6036(11) 0.1920(5) 0.063(3) Uani 0.78(3) 1 d PGU B 2 
H85A H 1.1503 0.6061 0.1521 0.076 Uiso 0.78(3) 1 calc PR B 2 
C86 C 1.2076(3) 0.5856(10) 0.2274(6) 0.074(4) Uani 0.78(3) 1 d PGU B 2 
H86A H 1.2389 0.5757 0.2117 0.089 Uiso 0.78(3) 1 calc PR B 2 
C87 C 1.2144(4) 0.5819(10) 0.2858(6) 0.078(4) Uani 0.78(3) 1 d PGU B 2 
H87A H 1.2503 0.5696 0.3100 0.094 Uiso 0.78(3) 1 calc PR B 2 
C88 C 1.1686(6) 0.5964(10) 0.3088(4) 0.090(5) Uani 0.78(3) 1 d PGU B 2 
H88A H 1.1733 0.5939 0.3487 0.107 Uiso 0.78(3) 1 calc PR B 2 
C89 C 1.1160(5) 0.6144(11) 0.2734(4) 0.072(4) Uani 0.78(3) 1 d PGU B 2 
H89A H 1.0848 0.6243 0.2891 0.086 Uiso 0.78(3) 1 calc PR B 2 
C90 C 1.1092(4) 0.6181(11) 0.2150(4) 0.058(3) Uani 0.78(3) 1 d PGDU B 2 
C55 C 0.8124(3) 0.1958(6) -0.1115(3) 0.0410(15) Uani 1 1 d D . . 
H55A H 0.8203 0.1186 -0.1028 0.049 Uiso 1 1 calc R C . 
H55B H 0.8470 0.2300 -0.1165 0.049 Uiso 1 1 calc R . . 
C56 C 0.7666(3) 0.2062(6) -0.1663(3) 0.055(2) Uani 1 1 d D C . 
H56A H 0.7800 0.1749 -0.1980 0.066 Uiso 1 1 calc R . . 
H56B H 0.7334 0.1646 -0.1626 0.066 Uiso 1 1 calc R . . 
C57 C 0.7499(3) 0.3227(6) -0.1800(3) 0.0526(19) Uani 1 1 d D . . 
H57A H 0.7815 0.3621 -0.1888 0.063 Uiso 1 1 calc R C . 
H57B H 0.7181 0.3253 -0.2139 0.063 Uiso 1 1 calc R . . 
C58 C 0.7333(3) 0.3771(8) -0.1309(3) 0.060(2) Uani 1 1 d D C . 
H58A H 0.7255 0.4543 -0.1399 0.072 Uiso 1 1 calc R . . 
H58B H 0.6988 0.3436 -0.1251 0.072 Uiso 1 1 calc R . . 
C59 C 0.7791(3) 0.3674(6) -0.0770(3) 0.052(2) Uani 1 1 d D . . 
H59A H 0.7666 0.4012 -0.0454 0.062 Uiso 1 1 calc R C . 
H59B H 0.8126 0.4067 -0.0816 0.062 Uiso 1 1 calc R . . 
C60 C 0.7944(3) 0.2495(6) -0.0624(3) 0.0432(16) Uani 1 1 d D C . 
H60A H 0.7604 0.2115 -0.0568 0.052 Uiso 1 1 calc R . . 
C61 C 0.7774(9) 0.2483(14) 0.0737(10) 0.057(3) Uani 0.297(12) 1 d PG C 1 
H61A H 0.7689 0.1772 0.0597 0.069 Uiso 0.297(12) 1 calc PR C 1 
C62 C 0.7485(9) 0.294(2) 0.1103(11) 0.070(4) Uani 0.297(12) 1 d PG C 1 
H62A H 0.7201 0.2534 0.1214 0.084 Uiso 0.297(12) 1 calc PR C 1 
C63 C 0.7610(9) 0.398(2) 0.1307(9) 0.081(6) Uani 0.297(12) 1 d PG C 1 
H63A H 0.7412 0.4285 0.1557 0.097 Uiso 0.297(12) 1 calc PR C 1 
C64 C 0.8024(9) 0.4563(17) 0.1145(9) 0.070(4) Uani 0.297(12) 1 d PGD C 1 
H64A H 0.8110 0.5274 0.1285 0.084 Uiso 0.297(12) 1 calc PR C 1 
C65 C 0.8314(8) 0.4111(17) 0.0779(9) 0.055(3) Uani 0.297(12) 1 d PG C 1 
H65A H 0.8597 0.4512 0.0668 0.066 Uiso 0.297(12) 1 calc PR C 1 
C66 C 0.8189(9) 0.3071(17) 0.0575(9) 0.036(2) Uani 0.297(12) 1 d PGD C 1 
C79 C 0.7599(3) 0.2106(7) 0.0582(4) 0.057(3) Uani 0.703(12) 1 d PG C 2 
H79A H 0.7536 0.1440 0.0383 0.069 Uiso 0.703(12) 1 calc PR C 2 
C80 C 0.7248(3) 0.2428(8) 0.0918(4) 0.070(4) Uani 0.703(12) 1 d PG C 2 
H80A H 0.6944 0.1983 0.0950 0.084 Uiso 0.703(12) 1 calc PR C 2 
C81 C 0.7341(4) 0.3402(9) 0.1209(4) 0.081(6) Uani 0.703(12) 1 d PG C 2 
H81A H 0.7100 0.3622 0.1439 0.097 Uiso 0.703(12) 1 calc PR C 2 
C82 C 0.7785(4) 0.4053(8) 0.1163(4) 0.070(4) Uani 0.703(12) 1 d PG C 2 
H82A H 0.7849 0.4719 0.1361 0.084 Uiso 0.703(12) 1 calc PR C 2 
C83 C 0.8137(3) 0.3731(7) 0.0826(4) 0.055(3) Uani 0.703(12) 1 d PG C 2 
H83A H 0.8441 0.4176 0.0795 0.066 Uiso 0.703(12) 1 calc PR C 2 
C84 C 0.8044(3) 0.2757(7) 0.0536(3) 0.036(2) Uani 0.703(12) 1 d PGD C 2 
C67 C 0.9137(3) 0.0797(5) 0.0602(3) 0.0364(13) Uani 1 1 d . . . 
H67A H 0.9389 0.1365 0.0750 0.044 Uiso 1 1 calc R C . 
C68 C 0.9272(3) -0.0280(6) 0.0768(3) 0.0462(16) Uani 1 1 d . C . 
H68A H 0.9617 -0.0438 0.1029 0.055 Uiso 1 1 calc R . . 
C69 C 0.8908(4) -0.1097(6) 0.0555(3) 0.0516(19) Uani 1 1 d . . . 
H69A H 0.9000 -0.1817 0.0676 0.062 Uiso 1 1 calc R C . 
C70 C 0.8409(4) -0.0888(7) 0.0167(4) 0.061(2) Uani 1 1 d . C . 
H70A H 0.8164 -0.1459 0.0009 0.073 Uiso 1 1 calc R . . 
C71 C 0.8271(4) 0.0183(7) 0.0011(4) 0.058(2) Uani 1 1 d . . . 
H71A H 0.7921 0.0337 -0.0243 0.070 Uiso 1 1 calc R C . 
C72 C 0.8630(3) 0.1016(5) 0.0216(3) 0.0390(14) Uani 1 1 d . C . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 P1 2.450(2) . ? 
Ag1 I2 2.8129(13) 2_656 ? 
Ag1 I1 2.9334(14) . ? 
Ag1 I2 2.9808(13) . ? 
Ag2 P2 2.4503(19) . ? 
Ag2 I1 2.8163(11) . ? 
Ag2 I2 2.9199(14) . ? 
Ag2 I1 2.9595(11) 2_656 ? 
Ag3 P3 2.444(2) . ? 
Ag3 I4 2.8700(13) . ? 
Ag3 I3 2.8846(12) . ? 
Ag3 I3 2.9355(12) 2_755 ? 
Ag4 P4 2.450(2) . ? 
Ag4 I4 2.9029(10) . ? 
Ag4 I4 2.9175(12) 2_755 ? 
Ag4 I3 2.9176(13) . ? 
I1 Ag2 2.9593(11) 2_656 ? 
I2 Ag1 2.8129(13) 2_656 ? 
I3 Ag3 2.9355(12) 2_755 ? 
I4 Ag4 2.9176(12) 2_755 ? 
P1 C18 1.831(7) . ? 
P1 C78 1.831(14) . ? 
P1 C12 1.858(8) . ? 
P1 C6 1.865(8) . ? 
P2 C30 1.825(7) . ? 
P2 C36 1.838(7) . ? 
P2 C24 1.839(7) . ? 
P3 C42 1.822(9) . ? 
P3 C90 1.834(6) . ? 
P3 C48 1.834(7) . ? 
P3 C54 1.850(16) . ? 
P4 C66 1.818(12) . ? 
P4 C72 1.821(7) . ? 
P4 C60 1.843(7) . ? 
P4 C84 1.854(5) . ? 
C1 C6 1.495(11) . ? 
C1 C2 1.517(11) . ? 
C1 H1A 0.9900 . ? 
C1 H1B 0.9900 . ? 
C2 C3 1.521(11) . ? 
C2 H2A 0.9900 . ? 
C2 H2B 0.9900 . ? 
C3 C4 1.496(13) . ? 
C3 H3A 0.9900 . ? 
C3 H3B 0.9900 . ? 
C4 C5 1.549(12) . ? 
C4 H4A 0.9900 . ? 
C4 H4B 0.9900 . ? 
C5 C6 1.525(10) . ? 
C5 H5A 0.9900 . ? 
C5 H5B 0.9900 . ? 
C6 H6A 1.0000 . ? 
C7 C8 1.3900 . ? 
C7 C12 1.3900 . ? 
C7 H7A 0.9500 . ? 
C8 C9 1.3900 . ? 
C8 H8A 0.9500 . ? 
C9 C10 1.3900 . ? 
C9 H9A 0.9500 . ? 
C10 C11 1.3900 . ? 
C10 H10A 0.9500 . ? 
C11 C12 1.3900 . ? 
C11 H11A 0.9500 . ? 
C73 C74 1.3900 . ? 
C73 C78 1.3900 . ? 
C73 H73A 0.9500 . ? 
C74 C75 1.3900 . ? 
C74 H74A 0.9500 . ? 
C75 C76 1.3900 . ? 
C75 H75A 0.9500 . ? 
C76 C77 1.3900 . ? 
C76 H76A 0.9500 . ? 
C77 C78 1.3900 . ? 
C77 H77A 0.9500 . ? 
C13 C14 1.378(12) . ? 
C13 C18 1.387(11) . ? 
C13 H13A 0.9500 . ? 
C14 C15 1.374(12) . ? 
C14 H14A 0.9500 . ? 
C15 C16 1.370(12) . ? 
C15 H15A 0.9500 . ? 
C16 C17 1.392(12) . ? 
C16 H16A 0.9500 . ? 
C17 C18 1.389(11) . ? 
C17 H17A 0.9500 . ? 
C19 C24 1.530(10) . ? 
C19 C20 1.540(11) . ? 
C19 H19A 0.9900 . ? 
C19 H19B 0.9900 . ? 
C20 C21 1.500(12) . ? 
C20 H20A 0.9900 . ? 
C20 H20B 0.9900 . ? 
C21 C22 1.480(13) . ? 
C21 H21A 0.9900 . ? 
C21 H21B 0.9900 . ? 
C22 C23 1.536(11) . ? 
C22 H22A 0.9900 . ? 
C22 H22B 0.9900 . ? 
C23 C24 1.500(10) . ? 
C23 H23A 0.9900 . ? 
C23 H23B 0.9900 . ? 
C24 H24A 1.0000 . ? 
C25 C30 1.367(11) . ? 
C25 C26 1.393(13) . ? 
C25 H25A 0.9500 . ? 
C26 C27 1.355(13) . ? 
C26 H26A 0.9500 . ? 
C27 C28 1.378(13) . ? 
C27 H27A 0.9500 . ? 
C28 C29 1.403(12) . ? 
C28 H28A 0.9500 . ? 
C29 C30 1.381(10) . ? 
C29 H29A 0.9500 . ? 
C31 C36 1.382(10) . ? 
C31 C32 1.392(11) . ? 
C31 H31A 0.9500 . ? 
C32 C33 1.353(12) . ? 
C32 H32A 0.9500 . ? 
C33 C34 1.391(13) . ? 
C33 H33A 0.9500 . ? 
C34 C35 1.387(12) . ? 
C34 H34A 0.9500 . ? 
C35 C36 1.379(10) . ? 
C35 H35A 0.9500 . ? 
C37 C38 1.515(10) . ? 
C37 C42 1.526(9) . ? 
C37 H37A 0.9900 . ? 
C37 H37B 0.9900 . ? 
C38 C39 1.445(10) . ? 
C38 H38A 0.9900 . ? 
C38 H38B 0.9900 . ? 
C39 C40 1.486(10) . ? 
C39 H39A 0.9900 . ? 
C39 H39B 0.9900 . ? 
C40 C41 1.520(10) . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
C41 C42 1.499(10) . ? 
C41 H41A 0.9900 . ? 
C41 H41B 0.9900 . ? 
C42 H42A 1.0000 . ? 
C43 C44 1.358(13) . ? 
C43 C48 1.396(11) . ? 
C43 H43A 0.9500 . ? 
C44 C45 1.359(16) . ? 
C44 H44A 0.9500 . ? 
C45 C46 1.358(15) . ? 
C45 H45A 0.9500 . ? 
C46 C47 1.403(11) . ? 
C46 H46A 0.9500 . ? 
C47 C48 1.371(12) . ? 
C47 H47A 0.9500 . ? 
C49 C50 1.3900 . ? 
C49 C54 1.3900 . ? 
C49 H49A 0.9500 . ? 
C50 C51 1.3705 . ? 
C50 H50A 0.9500 . ? 
C51 C52 1.3900 . ? 
C51 H51A 0.9500 . ? 
C52 C53 1.3900 . ? 
C52 H52A 0.9500 . ? 
C53 C54 1.3900 . ? 
C53 H53A 0.9500 . ? 
C85 C86 1.3900 . ? 
C85 C90 1.3900 . ? 
C85 H85A 0.9500 . ? 
C86 C87 1.3900 . ? 
C86 H86A 0.9500 . ? 
C87 C88 1.3900 . ? 
C87 H87A 0.9500 . ? 
C88 C89 1.3900 . ? 
C88 H88A 0.9500 . ? 
C89 C90 1.3900 . ? 
C89 H89A 0.9500 . ? 
C55 C60 1.526(8) . ? 
C55 C56 1.529(8) . ? 
C55 H55A 0.9900 . ? 
C55 H55B 0.9900 . ? 
C56 C57 1.516(9) . ? 
C56 H56A 0.9900 . ? 
C56 H56B 0.9900 . ? 
C57 C58 1.513(9) . ? 
C57 H57A 0.9900 . ? 
C57 H57B 0.9900 . ? 
C58 C59 1.512(9) . ? 
C58 H58A 0.9900 . ? 
C58 H58B 0.9900 . ? 
C59 C60 1.530(9) . ? 
C59 H59A 0.9900 . ? 
C59 H59B 0.9900 . ? 
C60 H60A 1.0000 . ? 
C61 C62 1.3900 . ? 
C61 C66 1.3900 . ? 
C61 H61A 0.9500 . ? 
C62 C63 1.3900 . ? 
C62 H62A 0.9500 . ? 
C63 C64 1.3900 . ? 
C63 H63A 0.9500 . ? 
C64 C65 1.3900 . ? 
C64 H64A 0.9500 . ? 
C65 C66 1.3900 . ? 
C65 H65A 0.9500 . ? 
C79 C80 1.3900 . ? 
C79 C84 1.3900 . ? 
C79 H79A 0.9500 . ? 
C80 C81 1.3900 . ? 
C80 H80A 0.9500 . ? 
C81 C82 1.3900 . ? 
C81 H81A 0.9500 . ? 
C82 C83 1.3900 . ? 
C82 H82A 0.9500 . ? 
C83 C84 1.3900 . ? 
C83 H83A 0.9500 . ? 
C67 C72 1.395(9) . ? 
C67 C68 1.412(10) . ? 
C67 H67A 0.9500 . ? 
C68 C69 1.370(10) . ? 
C68 H68A 0.9500 . ? 
C69 C70 1.382(12) . ? 
C69 H69A 0.9500 . ? 
C70 C71 1.400(12) . ? 
C70 H70A 0.9500 . ? 
C71 C72 1.375(10) . ? 
C71 H71A 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
P1 Ag1 I2 122.00(5) . 2_656 ? 
P1 Ag1 I1 113.51(5) . . ? 
I2 Ag1 I1 103.73(3) 2_656 . ? 
P1 Ag1 I2 109.75(6) . . ? 
I2 Ag1 I2 102.17(4) 2_656 . ? 
I1 Ag1 I2 103.71(3) . . ? 
P2 Ag2 I1 124.64(5) . . ? 
P2 Ag2 I2 109.52(5) . . ? 
I1 Ag2 I2 108.35(2) . . ? 
P2 Ag2 I1 110.27(5) . 2_656 ? 
I1 Ag2 I1 100.68(3) . 2_656 ? 
I2 Ag2 I1 100.50(2) . 2_656 ? 
P3 Ag3 I4 111.91(6) . . ? 
P3 Ag3 I3 118.03(7) . . ? 
I4 Ag3 I3 104.40(2) . . ? 
P3 Ag3 I3 116.12(7) . 2_755 ? 
I4 Ag3 I3 102.95(3) . 2_755 ? 
I3 Ag3 I3 101.63(4) . 2_755 ? 
P4 Ag4 I4 116.69(5) . . ? 
P4 Ag4 I4 114.43(5) . 2_755 ? 
I4 Ag4 I4 105.99(3) . 2_755 ? 
P4 Ag4 I3 113.15(5) . . ? 
I4 Ag4 I3 102.74(2) . . ? 
I4 Ag4 I3 102.23(2) 2_755 . ? 
Ag2 I1 Ag1 74.23(2) . . ? 
Ag2 I1 Ag2 76.55(3) . 2_656 ? 
Ag1 I1 Ag2 74.39(2) . 2_656 ? 
Ag1 I2 Ag2 76.81(2) 2_656 . ? 
Ag1 I2 Ag1 75.36(4) 2_656 . ? 
Ag2 I2 Ag1 72.05(2) . . ? 
Ag3 I3 Ag4 74.43(2) . . ? 
Ag3 I3 Ag3 76.51(4) . 2_755 ? 
Ag4 I3 Ag3 74.78(2) . 2_755 ? 
Ag3 I4 Ag4 74.87(2) . . ? 
Ag3 I4 Ag4 75.78(2) . 2_755 ? 
Ag4 I4 Ag4 72.57(3) . 2_755 ? 
C18 P1 C78 105.6(11) . . ? 
C18 P1 C12 105.4(5) . . ? 
C18 P1 C6 102.9(3) . . ? 
C78 P1 C6 97.5(11) . . ? 
C12 P1 C6 103.0(6) . . ? 
C18 P1 Ag1 114.3(2) . . ? 
C78 P1 Ag1 117.5(11) . . ? 
C12 P1 Ag1 113.0(5) . . ? 
C6 P1 Ag1 116.7(3) . . ? 
C30 P2 C36 102.5(3) . . ? 
C30 P2 C24 102.5(3) . . ? 
C36 P2 C24 103.5(3) . . ? 
C30 P2 Ag2 116.5(2) . . ? 
C36 P2 Ag2 110.7(2) . . ? 
C24 P2 Ag2 119.1(2) . . ? 
C42 P3 C90 100.8(5) . . ? 
C42 P3 C48 105.4(4) . . ? 
C90 P3 C48 102.7(5) . . ? 
C42 P3 C54 113.7(13) . . ? 
C48 P3 C54 94.5(18) . . ? 
C42 P3 Ag3 116.7(3) . . ? 
C90 P3 Ag3 115.8(4) . . ? 
C48 P3 Ag3 113.6(3) . . ? 
C54 P3 Ag3 110.6(16) . . ? 
C66 P4 C72 110.2(8) . . ? 
C66 P4 C60 105.8(8) . . ? 
C72 P4 C60 107.5(3) . . ? 
C72 P4 C84 99.9(4) . . ? 
C60 P4 C84 98.1(4) . . ? 
C66 P4 Ag4 104.5(6) . . ? 
C72 P4 Ag4 115.2(2) . . ? 
C60 P4 Ag4 113.3(2) . . ? 
C84 P4 Ag4 120.7(3) . . ? 
C6 C1 C2 110.7(7) . . ? 
C6 C1 H1A 109.5 . . ? 
C2 C1 H1A 109.5 . . ? 
C6 C1 H1B 109.5 . . ? 
C2 C1 H1B 109.5 . . ? 
H1A C1 H1B 108.1 . . ? 
C1 C2 C3 111.7(7) . . ? 
C1 C2 H2A 109.3 . . ? 
C3 C2 H2A 109.3 . . ? 
C1 C2 H2B 109.3 . . ? 
C3 C2 H2B 109.3 . . ? 
H2A C2 H2B 107.9 . . ? 
C4 C3 C2 111.3(7) . . ? 
C4 C3 H3A 109.4 . . ? 
C2 C3 H3A 109.4 . . ? 
C4 C3 H3B 109.4 . . ? 
C2 C3 H3B 109.4 . . ? 
H3A C3 H3B 108.0 . . ? 
C3 C4 C5 111.2(7) . . ? 
C3 C4 H4A 109.4 . . ? 
C5 C4 H4A 109.4 . . ? 
C3 C4 H4B 109.4 . . ? 
C5 C4 H4B 109.4 . . ? 
H4A C4 H4B 108.0 . . ? 
C6 C5 C4 110.4(7) . . ? 
C6 C5 H5A 109.6 . . ? 
C4 C5 H5A 109.6 . . ? 
C6 C5 H5B 109.6 . . ? 
C4 C5 H5B 109.6 . . ? 
H5A C5 H5B 108.1 . . ? 
C1 C6 C5 110.6(7) . . ? 
C1 C6 P1 114.0(6) . . ? 
C5 C6 P1 110.2(5) . . ? 
C1 C6 H6A 107.2 . . ? 
C5 C6 H6A 107.2 . . ? 
P1 C6 H6A 107.2 . . ? 
C8 C7 C12 120.0 . . ? 
C8 C7 H7A 120.0 . . ? 
C12 C7 H7A 120.0 . . ? 
C9 C8 C7 120.0 . . ? 
C9 C8 H8A 120.0 . . ? 
C7 C8 H8A 120.0 . . ? 
C8 C9 C10 120.0 . . ? 
C8 C9 H9A 120.0 . . ? 
C10 C9 H9A 120.0 . . ? 
C11 C10 C9 120.0 . . ? 
C11 C10 H10A 120.0 . . ? 
C9 C10 H10A 120.0 . . ? 
C12 C11 C10 120.0 . . ? 
C12 C11 H11A 120.0 . . ? 
C10 C11 H11A 120.0 . . ? 
C11 C12 C7 120.0 . . ? 
C11 C12 P1 119.3(9) . . ? 
C7 C12 P1 119.5(10) . . ? 
C74 C73 C78 120.0 . . ? 
C74 C73 H73A 120.0 . . ? 
C78 C73 H73A 120.0 . . ? 
C73 C74 C75 120.0 . . ? 
C73 C74 H74A 120.0 . . ? 
C75 C74 H74A 120.0 . . ? 
C74 C75 C76 120.0 . . ? 
C74 C75 H75A 120.0 . . ? 
C76 C75 H75A 120.0 . . ? 
C77 C76 C75 120.0 . . ? 
C77 C76 H76A 120.0 . . ? 
C75 C76 H76A 120.0 . . ? 
C76 C77 C78 120.0 . . ? 
C76 C77 H77A 120.0 . . ? 
C78 C77 H77A 120.0 . . ? 
C77 C78 C73 120.0 . . ? 
C77 C78 P1 106(2) . . ? 
C73 C78 P1 134(2) . . ? 
C14 C13 C18 121.0(8) . . ? 
C14 C13 H13A 119.5 . . ? 
C18 C13 H13A 119.5 . . ? 
C15 C14 C13 120.1(8) . . ? 
C15 C14 H14A 119.9 . . ? 
C13 C14 H14A 119.9 . . ? 
C16 C15 C14 119.5(8) . . ? 
C16 C15 H15A 120.3 . . ? 
C14 C15 H15A 120.3 . . ? 
C15 C16 C17 121.1(8) . . ? 
C15 C16 H16A 119.5 . . ? 
C17 C16 H16A 119.5 . . ? 
C18 C17 C16 119.5(8) . . ? 
C18 C17 H17A 120.3 . . ? 
C16 C17 H17A 120.3 . . ? 
C13 C18 C17 118.7(7) . . ? 
C13 C18 P1 124.7(6) . . ? 
C17 C18 P1 116.3(6) . . ? 
C24 C19 C20 111.2(6) . . ? 
C24 C19 H19A 109.4 . . ? 
C20 C19 H19A 109.4 . . ? 
C24 C19 H19B 109.4 . . ? 
C20 C19 H19B 109.4 . . ? 
H19A C19 H19B 108.0 . . ? 
C21 C20 C19 111.7(7) . . ? 
C21 C20 H20A 109.3 . . ? 
C19 C20 H20A 109.3 . . ? 
C21 C20 H20B 109.3 . . ? 
C19 C20 H20B 109.3 . . ? 
H20A C20 H20B 107.9 . . ? 
C22 C21 C20 113.1(7) . . ? 
C22 C21 H21A 109.0 . . ? 
C20 C21 H21A 109.0 . . ? 
C22 C21 H21B 109.0 . . ? 
C20 C21 H21B 109.0 . . ? 
H21A C21 H21B 107.8 . . ? 
C21 C22 C23 111.9(7) . . ? 
C21 C22 H22A 109.2 . . ? 
C23 C22 H22A 109.2 . . ? 
C21 C22 H22B 109.2 . . ? 
C23 C22 H22B 109.2 . . ? 
H22A C22 H22B 107.9 . . ? 
C24 C23 C22 110.9(7) . . ? 
C24 C23 H23A 109.5 . . ? 
C22 C23 H23A 109.5 . . ? 
C24 C23 H23B 109.5 . . ? 
C22 C23 H23B 109.5 . . ? 
H23A C23 H23B 108.0 . . ? 
C23 C24 C19 109.7(6) . . ? 
C23 C24 P2 114.2(5) . . ? 
C19 C24 P2 111.3(5) . . ? 
C23 C24 H24A 107.1 . . ? 
C19 C24 H24A 107.1 . . ? 
P2 C24 H24A 107.1 . . ? 
C30 C25 C26 122.3(8) . . ? 
C30 C25 H25A 118.8 . . ? 
C26 C25 H25A 118.8 . . ? 
C27 C26 C25 119.5(8) . . ? 
C27 C26 H26A 120.3 . . ? 
C25 C26 H26A 120.3 . . ? 
C26 C27 C28 119.7(8) . . ? 
C26 C27 H27A 120.2 . . ? 
C28 C27 H27A 120.2 . . ? 
C27 C28 C29 120.3(8) . . ? 
C27 C28 H28A 119.8 . . ? 
C29 C28 H28A 119.8 . . ? 
C30 C29 C28 120.2(8) . . ? 
C30 C29 H29A 119.9 . . ? 
C28 C29 H29A 119.9 . . ? 
C25 C30 C29 117.8(7) . . ? 
C25 C30 P2 117.9(5) . . ? 
C29 C30 P2 124.3(6) . . ? 
C36 C31 C32 120.4(7) . . ? 
C36 C31 H31A 119.8 . . ? 
C32 C31 H31A 119.8 . . ? 
C33 C32 C31 120.6(8) . . ? 
C33 C32 H32A 119.7 . . ? 
C31 C32 H32A 119.7 . . ? 
C32 C33 C34 119.8(8) . . ? 
C32 C33 H33A 120.1 . . ? 
C34 C33 H33A 120.1 . . ? 
C35 C34 C33 119.7(8) . . ? 
C35 C34 H34A 120.2 . . ? 
C33 C34 H34A 120.2 . . ? 
C36 C35 C34 120.7(8) . . ? 
C36 C35 H35A 119.6 . . ? 
C34 C35 H35A 119.6 . . ? 
C35 C36 C31 118.7(7) . . ? 
C35 C36 P2 125.0(6) . . ? 
C31 C36 P2 116.2(5) . . ? 
C38 C37 C42 112.7(7) . . ? 
C38 C37 H37A 109.0 . . ? 
C42 C37 H37A 109.0 . . ? 
C38 C37 H37B 109.0 . . ? 
C42 C37 H37B 109.0 . . ? 
H37A C37 H37B 107.8 . . ? 
C39 C38 C37 113.6(7) . . ? 
C39 C38 H38A 108.8 . . ? 
C37 C38 H38A 108.9 . . ? 
C39 C38 H38B 108.9 . . ? 
C37 C38 H38B 108.9 . . ? 
H38A C38 H38B 107.7 . . ? 
C38 C39 C40 116.1(7) . . ? 
C38 C39 H39A 108.3 . . ? 
C40 C39 H39A 108.3 . . ? 
C38 C39 H39B 108.3 . . ? 
C40 C39 H39B 108.3 . . ? 
H39A C39 H39B 107.4 . . ? 
C39 C40 C41 112.5(7) . . ? 
C39 C40 H40A 109.1 . . ? 
C41 C40 H40A 109.1 . . ? 
C39 C40 H40B 109.1 . . ? 
C41 C40 H40B 109.1 . . ? 
H40A C40 H40B 107.8 . . ? 
C42 C41 C40 112.7(7) . . ? 
C42 C41 H41A 109.1 . . ? 
C40 C41 H41A 109.1 . . ? 
C42 C41 H41B 109.1 . . ? 
C40 C41 H41B 109.1 . . ? 
H41A C41 H41B 107.8 . . ? 
C41 C42 C37 110.0(7) . . ? 
C41 C42 P3 111.4(6) . . ? 
C37 C42 P3 111.9(6) . . ? 
C41 C42 H42A 107.8 . . ? 
C37 C42 H42A 107.8 . . ? 
P3 C42 H42A 107.8 . . ? 
C44 C43 C48 121.0(10) . . ? 
C44 C43 H43A 119.5 . . ? 
C48 C43 H43A 119.5 . . ? 
C43 C44 C45 119.0(10) . . ? 
C43 C44 H44A 120.5 . . ? 
C45 C44 H44A 120.5 . . ? 
C46 C45 C44 121.9(8) . . ? 
C46 C45 H45A 119.1 . . ? 
C44 C45 H45A 119.1 . . ? 
C45 C46 C47 119.8(10) . . ? 
C45 C46 H46A 120.1 . . ? 
C47 C46 H46A 120.1 . . ? 
C48 C47 C46 118.7(9) . . ? 
C48 C47 H47A 120.6 . . ? 
C46 C47 H47A 120.6 . . ? 
C47 C48 C43 119.6(7) . . ? 
C47 C48 P3 118.8(6) . . ? 
C43 C48 P3 121.6(7) . . ? 
C50 C49 C54 120.0 . . ? 
C50 C49 H49A 120.0 . . ? 
C54 C49 H49A 120.0 . . ? 
C51 C50 C49 120.0 . . ? 
C51 C50 H50A 120.0 . . ? 
C49 C50 H50A 120.0 . . ? 
C52 C51 C50 120.0 . . ? 
C52 C51 H51A 120.0 . . ? 
C50 C51 H51A 120.0 . . ? 
C51 C52 C53 120.0 . . ? 
C51 C52 H52A 120.0 . . ? 
C53 C52 H52A 120.0 . . ? 
C54 C53 C52 120.0 . . ? 
C54 C53 H53A 120.0 . . ? 
C52 C53 H53A 120.0 . . ? 
C53 C54 C49 120.0 . . ? 
C53 C54 P3 120(2) . . ? 
C49 C54 P3 120(2) . . ? 
C86 C85 C90 120.0 . . ? 
C86 C85 H85A 120.0 . . ? 
C90 C85 H85A 120.0 . . ? 
C85 C86 C87 120.0 . . ? 
C85 C86 H86A 120.0 . . ? 
C87 C86 H86A 120.0 . . ? 
C88 C87 C86 120.0 . . ? 
C88 C87 H87A 120.0 . . ? 
C86 C87 H87A 120.0 . . ? 
C87 C88 C89 120.0 . . ? 
C87 C88 H88A 120.0 . . ? 
C89 C88 H88A 120.0 . . ? 
C90 C89 C88 120.0 . . ? 
C90 C89 H89A 120.0 . . ? 
C88 C89 H89A 120.0 . . ? 
C89 C90 C85 120.0 . . ? 
C89 C90 P3 125.0(6) . . ? 
C85 C90 P3 114.4(5) . . ? 
C60 C55 C56 110.5(5) . . ? 
C60 C55 H55A 109.5 . . ? 
C56 C55 H55A 109.5 . . ? 
C60 C55 H55B 109.5 . . ? 
C56 C55 H55B 109.5 . . ? 
H55A C55 H55B 108.1 . . ? 
C57 C56 C55 112.0(6) . . ? 
C57 C56 H56A 109.2 . . ? 
C55 C56 H56A 109.2 . . ? 
C57 C56 H56B 109.2 . . ? 
C55 C56 H56B 109.2 . . ? 
H56A C56 H56B 107.9 . . ? 
C58 C57 C56 111.4(6) . . ? 
C58 C57 H57A 109.4 . . ? 
C56 C57 H57A 109.4 . . ? 
C58 C57 H57B 109.4 . . ? 
C56 C57 H57B 109.4 . . ? 
H57A C57 H57B 108.0 . . ? 
C59 C58 C57 111.1(6) . . ? 
C59 C58 H58A 109.4 . . ? 
C57 C58 H58A 109.4 . . ? 
C59 C58 H58B 109.4 . . ? 
C57 C58 H58B 109.4 . . ? 
H58A C58 H58B 108.0 . . ? 
C58 C59 C60 111.5(7) . . ? 
C58 C59 H59A 109.3 . . ? 
C60 C59 H59A 109.3 . . ? 
C58 C59 H59B 109.3 . . ? 
C60 C59 H59B 109.3 . . ? 
H59A C59 H59B 108.0 . . ? 
C55 C60 C59 109.8(6) . . ? 
C55 C60 P4 112.5(4) . . ? 
C59 C60 P4 109.3(5) . . ? 
C55 C60 H60A 108.4 . . ? 
C59 C60 H60A 108.4 . . ? 
P4 C60 H60A 108.4 . . ? 
C62 C61 C66 120.0 . . ? 
C62 C61 H61A 120.0 . . ? 
C66 C61 H61A 120.0 . . ? 
C61 C62 C63 120.0 . . ? 
C61 C62 H62A 120.0 . . ? 
C63 C62 H62A 120.0 . . ? 
C62 C63 C64 120.0 . . ? 
C62 C63 H63A 120.0 . . ? 
C64 C63 H63A 120.0 . . ? 
C65 C64 C63 120.0 . . ? 
C65 C64 H64A 120.0 . . ? 
C63 C64 H64A 120.0 . . ? 
C66 C65 C64 120.0 . . ? 
C66 C65 H65A 120.0 . . ? 
C64 C65 H65A 120.0 . . ? 
C65 C66 C61 120.0 . . ? 
C65 C66 P4 124.3(11) . . ? 
C61 C66 P4 115.4(11) . . ? 
C80 C79 C84 120.0 . . ? 
C80 C79 H79A 120.0 . . ? 
C84 C79 H79A 120.0 . . ? 
C81 C80 C79 120.0 . . ? 
C81 C80 H80A 120.0 . . ? 
C79 C80 H80A 120.0 . . ? 
C80 C81 C82 120.0 . . ? 
C80 C81 H81A 120.0 . . ? 
C82 C81 H81A 120.0 . . ? 
C83 C82 C81 120.0 . . ? 
C83 C82 H82A 120.0 . . ? 
C81 C82 H82A 120.0 . . ? 
C84 C83 C82 120.0 . . ? 
C84 C83 H83A 120.0 . . ? 
C82 C83 H83A 120.0 . . ? 
C83 C84 C79 120.0 . . ? 
C83 C84 P4 117.8(4) . . ? 
C79 C84 P4 122.0(4) . . ? 
C72 C67 C68 119.1(6) . . ? 
C72 C67 H67A 120.4 . . ? 
C68 C67 H67A 120.4 . . ? 
C69 C68 C67 120.3(7) . . ? 
C69 C68 H68A 119.8 . . ? 
C67 C68 H68A 119.8 . . ? 
C68 C69 C70 120.8(7) . . ? 
C68 C69 H69A 119.6 . . ? 
C70 C69 H69A 119.6 . . ? 
C69 C70 C71 118.8(8) . . ? 
C69 C70 H70A 120.6 . . ? 
C71 C70 H70A 120.6 . . ? 
C72 C71 C70 121.4(8) . . ? 
C72 C71 H71A 119.3 . . ? 
C70 C71 H71A 119.3 . . ? 
C71 C72 C67 119.5(7) . . ? 
C71 C72 P4 124.9(6) . . ? 
C67 C72 P4 115.6(5) . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
P2 Ag2 I1 Ag1 -141.32(6) . . . . ? 
I2 Ag2 I1 Ag1 -10.24(3) . . . . ? 
I1 Ag2 I1 Ag1 94.71(3) 2_656 . . . ? 
P2 Ag2 I1 Ag2 141.38(6) . . . 2_656 ? 
I2 Ag2 I1 Ag2 -87.54(2) . . . 2_656 ? 
I1 Ag2 I1 Ag2 17.41(3) 2_656 . . 2_656 ? 
P1 Ag1 I1 Ag2 128.84(7) . . . . ? 
I2 Ag1 I1 Ag2 -96.64(4) 2_656 . . . ? 
I2 Ag1 I1 Ag2 9.80(2) . . . . ? 
P1 Ag1 I1 Ag2 -151.07(6) . . . 2_656 ? 
I2 Ag1 I1 Ag2 -16.55(2) 2_656 . . 2_656 ? 
I2 Ag1 I1 Ag2 89.89(4) . . . 2_656 ? 
P2 Ag2 I2 Ag1 -132.31(5) . . . 2_656 ? 
I1 Ag2 I2 Ag1 88.84(4) . . . 2_656 ? 
I1 Ag2 I2 Ag1 -16.24(2) 2_656 . . 2_656 ? 
P2 Ag2 I2 Ag1 149.05(5) . . . . ? 
I1 Ag2 I2 Ag1 10.20(2) . . . . ? 
I1 Ag2 I2 Ag1 -94.88(4) 2_656 . . . ? 
P1 Ag1 I2 Ag1 148.24(5) . . . 2_656 ? 
I2 Ag1 I2 Ag1 17.45(4) 2_656 . . 2_656 ? 
I1 Ag1 I2 Ag1 -90.17(2) . . . 2_656 ? 
P1 Ag1 I2 Ag2 -131.15(6) . . . . ? 
I2 Ag1 I2 Ag2 98.05(3) 2_656 . . . ? 
I1 Ag1 I2 Ag2 -9.56(2) . . . . ? 
P3 Ag3 I3 Ag4 -139.53(7) . . . . ? 
I4 Ag3 I3 Ag4 -14.56(2) . . . . ? 
I3 Ag3 I3 Ag4 92.24(3) 2_755 . . . ? 
P3 Ag3 I3 Ag3 142.79(6) . . . 2_755 ? 
I4 Ag3 I3 Ag3 -92.24(2) . . . 2_755 ? 
I3 Ag3 I3 Ag3 14.56(3) 2_755 . . 2_755 ? 
P4 Ag4 I3 Ag3 140.98(6) . . . . ? 
I4 Ag4 I3 Ag3 14.29(2) . . . . ? 
I4 Ag4 I3 Ag3 -95.46(4) 2_755 . . . ? 
P4 Ag4 I3 Ag3 -139.11(5) . . . 2_755 ? 
I4 Ag4 I3 Ag3 94.20(4) . . . 2_755 ? 
I4 Ag4 I3 Ag3 -15.55(2) 2_755 . . 2_755 ? 
P3 Ag3 I4 Ag4 143.37(7) . . . . ? 
I3 Ag3 I4 Ag4 14.60(2) . . . . ? 
I3 Ag3 I4 Ag4 -91.22(4) 2_755 . . . ? 
P3 Ag3 I4 Ag4 -141.20(7) . . . 2_755 ? 
I3 Ag3 I4 Ag4 90.03(4) . . . 2_755 ? 
I3 Ag3 I4 Ag4 -15.79(2) 2_755 . . 2_755 ? 
P4 Ag4 I4 Ag3 -138.72(6) . . . . ? 
I4 Ag4 I4 Ag3 92.57(3) 2_755 . . . ? 
I3 Ag4 I4 Ag3 -14.33(3) . . . . ? 
P4 Ag4 I4 Ag4 141.76(5) . . . 2_755 ? 
I4 Ag4 I4 Ag4 13.05(3) 2_755 . . 2_755 ? 
I3 Ag4 I4 Ag4 -93.85(2) . . . 2_755 ? 
I2 Ag1 P1 C18 73.2(3) 2_656 . . . ? 
I1 Ag1 P1 C18 -161.6(2) . . . . ? 
I2 Ag1 P1 C18 -46.0(2) . . . . ? 
I2 Ag1 P1 C78 -162.2(12) 2_656 . . . ? 
I1 Ag1 P1 C78 -37.0(12) . . . . ? 
I2 Ag1 P1 C78 78.5(12) . . . . ? 
I2 Ag1 P1 C12 -166.2(5) 2_656 . . . ? 
I1 Ag1 P1 C12 -40.9(5) . . . . ? 
I2 Ag1 P1 C12 74.6(5) . . . . ? 
I2 Ag1 P1 C6 -46.9(3) 2_656 . . . ? 
I1 Ag1 P1 C6 78.3(3) . . . . ? 
I2 Ag1 P1 C6 -166.2(3) . . . . ? 
I1 Ag2 P2 C30 -75.4(3) . . . . ? 
I2 Ag2 P2 C30 154.0(2) . . . . ? 
I1 Ag2 P2 C30 44.3(3) 2_656 . . . ? 
I1 Ag2 P2 C36 168.0(2) . . . . ? 
I2 Ag2 P2 C36 37.4(3) . . . . ? 
I1 Ag2 P2 C36 -72.3(3) 2_656 . . . ? 
I1 Ag2 P2 C24 48.3(3) . . . . ? 
I2 Ag2 P2 C24 -82.3(3) . . . . ? 
I1 Ag2 P2 C24 168.0(2) 2_656 . . . ? 
I4 Ag3 P3 C42 -72.0(3) . . . . ? 
I3 Ag3 P3 C42 49.2(3) . . . . ? 
I3 Ag3 P3 C42 170.2(3) 2_755 . . . ? 
I4 Ag3 P3 C90 46.4(5) . . . . ? 
I3 Ag3 P3 C90 167.6(5) . . . . ? 
I3 Ag3 P3 C90 -71.4(5) 2_755 . . . ? 
I4 Ag3 P3 C48 165.0(3) . . . . ? 
I3 Ag3 P3 C48 -73.9(3) . . . . ? 
I3 Ag3 P3 C48 47.2(3) 2_755 . . . ? 
I4 Ag3 P3 C54 60.1(17) . . . . ? 
I3 Ag3 P3 C54 -178.7(17) . . . . ? 
I3 Ag3 P3 C54 -57.7(17) 2_755 . . . ? 
I4 Ag4 P4 C66 74.3(8) . . . . ? 
I4 Ag4 P4 C66 -161.2(8) 2_755 . . . ? 
I3 Ag4 P4 C66 -44.6(8) . . . . ? 
I4 Ag4 P4 C72 -46.7(3) . . . . ? 
I4 Ag4 P4 C72 77.8(3) 2_755 . . . ? 
I3 Ag4 P4 C72 -165.7(3) . . . . ? 
I4 Ag4 P4 C60 -171.1(2) . . . . ? 
I4 Ag4 P4 C60 -46.5(3) 2_755 . . . ? 
I3 Ag4 P4 C60 70.0(2) . . . . ? 
I4 Ag4 P4 C84 73.3(3) . . . . ? 
I4 Ag4 P4 C84 -162.2(3) 2_755 . . . ? 
I3 Ag4 P4 C84 -45.6(3) . . . . ? 
C6 C1 C2 C3 56.8(10) . . . . ? 
C1 C2 C3 C4 -55.1(10) . . . . ? 
C2 C3 C4 C5 54.0(10) . . . . ? 
C3 C4 C5 C6 -55.2(10) . . . . ? 
C2 C1 C6 C5 -58.0(9) . . . . ? 
C2 C1 C6 P1 177.2(6) . . . . ? 
C4 C5 C6 C1 57.0(10) . . . . ? 
C4 C5 C6 P1 -176.0(6) . . . . ? 
C18 P1 C6 C1 -59.2(7) . . . . ? 
C78 P1 C6 C1 -167.1(12) . . . . ? 
C12 P1 C6 C1 -168.6(7) . . . . ? 
Ag1 P1 C6 C1 66.9(6) . . . . ? 
C18 P1 C6 C5 175.8(6) . . . . ? 
C78 P1 C6 C5 67.8(12) . . . . ? 
C12 P1 C6 C5 66.3(8) . . . . ? 
Ag1 P1 C6 C5 -58.2(6) . . . . ? 
C12 C7 C8 C9 0.0 . . . . ? 
C7 C8 C9 C10 0.0 . . . . ? 
C8 C9 C10 C11 0.0 . . . . ? 
C9 C10 C11 C12 0.0 . . . . ? 
C10 C11 C12 C7 0.0 . . . . ? 
C10 C11 C12 P1 167.7(13) . . . . ? 
C8 C7 C12 C11 0.0 . . . . ? 
C8 C7 C12 P1 -167.7(12) . . . . ? 
C18 P1 C12 C11 127.0(12) . . . . ? 
C78 P1 C12 C11 -141(15) . . . . ? 
C6 P1 C12 C11 -125.4(13) . . . . ? 
Ag1 P1 C12 C11 1.5(13) . . . . ? 
C18 P1 C12 C7 -65.3(11) . . . . ? 
C78 P1 C12 C7 27(14) . . . . ? 
C6 P1 C12 C7 42.3(12) . . . . ? 
Ag1 P1 C12 C7 169.2(10) . . . . ? 
C78 C73 C74 C75 0.0 . . . . ? 
C73 C74 C75 C76 0.0 . . . . ? 
C74 C75 C76 C77 0.0 . . . . ? 
C75 C76 C77 C78 0.0 . . . . ? 
C76 C77 C78 C73 0.0 . . . . ? 
C76 C77 C78 P1 176(2) . . . . ? 
C74 C73 C78 C77 0.0 . . . . ? 
C74 C73 C78 P1 -175(3) . . . . ? 
C18 P1 C78 C77 103.8(18) . . . . ? 
C12 P1 C78 C77 14(14) . . . . ? 
C6 P1 C78 C77 -150.5(18) . . . . ? 
Ag1 P1 C78 C77 -25(2) . . . . ? 
C18 P1 C78 C73 -81(3) . . . . ? 
C12 P1 C78 C73 -170(17) . . . . ? 
C6 P1 C78 C73 25(3) . . . . ? 
Ag1 P1 C78 C73 151(2) . . . . ? 
C18 C13 C14 C15 -3.3(13) . . . . ? 
C13 C14 C15 C16 2.8(13) . . . . ? 
C14 C15 C16 C17 -0.2(13) . . . . ? 
C15 C16 C17 C18 -1.7(13) . . . . ? 
C14 C13 C18 C17 1.3(12) . . . . ? 
C14 C13 C18 P1 176.1(7) . . . . ? 
C16 C17 C18 C13 1.2(12) . . . . ? 
C16 C17 C18 P1 -174.0(6) . . . . ? 
C78 P1 C18 C13 10.2(13) . . . . ? 
C12 P1 C18 C13 16.2(9) . . . . ? 
C6 P1 C18 C13 -91.5(7) . . . . ? 
Ag1 P1 C18 C13 140.9(6) . . . . ? 
C78 P1 C18 C17 -174.9(12) . . . . ? 
C12 P1 C18 C17 -169.0(8) . . . . ? 
C6 P1 C18 C17 83.4(7) . . . . ? 
Ag1 P1 C18 C17 -44.2(6) . . . . ? 
C24 C19 C20 C21 53.3(10) . . . . ? 
C19 C20 C21 C22 -51.8(11) . . . . ? 
C20 C21 C22 C23 53.1(11) . . . . ? 
C21 C22 C23 C24 -56.5(11) . . . . ? 
C22 C23 C24 C19 57.8(10) . . . . ? 
C22 C23 C24 P2 -176.6(6) . . . . ? 
C20 C19 C24 C23 -56.7(9) . . . . ? 
C20 C19 C24 P2 176.0(6) . . . . ? 
C30 P2 C24 C23 52.9(7) . . . . ? 
C36 P2 C24 C23 159.2(6) . . . . ? 
Ag2 P2 C24 C23 -77.4(6) . . . . ? 
C30 P2 C24 C19 177.7(5) . . . . ? 
C36 P2 C24 C19 -76.0(6) . . . . ? 
Ag2 P2 C24 C19 47.4(6) . . . . ? 
C30 C25 C26 C27 3.2(15) . . . . ? 
C25 C26 C27 C28 1.5(14) . . . . ? 
C26 C27 C28 C29 -3.6(14) . . . . ? 
C27 C28 C29 C30 1.1(14) . . . . ? 
C26 C25 C30 C29 -5.6(13) . . . . ? 
C26 C25 C30 P2 175.2(7) . . . . ? 
C28 C29 C30 C25 3.4(12) . . . . ? 
C28 C29 C30 P2 -177.5(7) . . . . ? 
C36 P2 C30 C25 166.3(6) . . . . ? 
C24 P2 C30 C25 -86.7(7) . . . . ? 
Ag2 P2 C30 C25 45.2(7) . . . . ? 
C36 P2 C30 C29 -12.9(7) . . . . ? 
C24 P2 C30 C29 94.2(7) . . . . ? 
Ag2 P2 C30 C29 -133.9(6) . . . . ? 
C36 C31 C32 C33 3.1(14) . . . . ? 
C31 C32 C33 C34 0.0(15) . . . . ? 
C32 C33 C34 C35 -2.5(16) . . . . ? 
C33 C34 C35 C36 2.0(15) . . . . ? 
C34 C35 C36 C31 1.1(13) . . . . ? 
C34 C35 C36 P2 179.1(7) . . . . ? 
C32 C31 C36 C35 -3.6(12) . . . . ? 
C32 C31 C36 P2 178.2(6) . . . . ? 
C30 P2 C36 C35 106.8(7) . . . . ? 
C24 P2 C36 C35 0.4(8) . . . . ? 
Ag2 P2 C36 C35 -128.2(7) . . . . ? 
C30 P2 C36 C31 -75.1(6) . . . . ? 
C24 P2 C36 C31 178.5(6) . . . . ? 
Ag2 P2 C36 C31 49.9(6) . . . . ? 
C42 C37 C38 C39 49.4(14) . . . . ? 
C37 C38 C39 C40 -46.3(14) . . . . ? 
C38 C39 C40 C41 46.9(14) . . . . ? 
C39 C40 C41 C42 -51.0(13) . . . . ? 
C40 C41 C42 C37 54.3(11) . . . . ? 
C40 C41 C42 P3 179.0(7) . . . . ? 
C38 C37 C42 C41 -53.2(12) . . . . ? 
C38 C37 C42 P3 -177.6(7) . . . . ? 
C90 P3 C42 C41 163.2(8) . . . . ? 
C48 P3 C42 C41 56.6(8) . . . . ? 
C54 P3 C42 C41 159(2) . . . . ? 
Ag3 P3 C42 C41 -70.5(7) . . . . ? 
C90 P3 C42 C37 -73.2(9) . . . . ? 
C48 P3 C42 C37 -179.8(7) . . . . ? 
C54 P3 C42 C37 -78(2) . . . . ? 
Ag3 P3 C42 C37 53.1(8) . . . . ? 
C48 C43 C44 C45 -1.3(15) . . . . ? 
C43 C44 C45 C46 1.5(15) . . . . ? 
C44 C45 C46 C47 -0.9(15) . . . . ? 
C45 C46 C47 C48 0.1(15) . . . . ? 
C46 C47 C48 C43 0.0(14) . . . . ? 
C46 C47 C48 P3 179.7(7) . . . . ? 
C44 C43 C48 C47 0.6(15) . . . . ? 
C44 C43 C48 P3 -179.1(8) . . . . ? 
C42 P3 C48 C47 -137.8(7) . . . . ? 
C90 P3 C48 C47 117.0(8) . . . . ? 
C54 P3 C48 C47 106.1(15) . . . . ? 
Ag3 P3 C48 C47 -8.8(8) . . . . ? 
C42 P3 C48 C43 41.9(9) . . . . ? 
C90 P3 C48 C43 -63.3(9) . . . . ? 
C54 P3 C48 C43 -74.2(15) . . . . ? 
Ag3 P3 C48 C43 170.9(7) . . . . ? 
C54 C49 C50 C51 0.0 . . . . ? 
C49 C50 C51 C52 0.0 . . . . ? 
C50 C51 C52 C53 0.0 . . . . ? 
C51 C52 C53 C54 0.0 . . . . ? 
C52 C53 C54 C49 0.0 . . . . ? 
C52 C53 C54 P3 -180(4) . . . . ? 
C50 C49 C54 C53 0.0 . . . . ? 
C50 C49 C54 P3 180(4) . . . . ? 
C42 P3 C54 C53 -15(3) . . . . ? 
C90 P3 C54 C53 -34(7) . . . . ? 
C48 P3 C54 C53 94(3) . . . . ? 
Ag3 P3 C54 C53 -149(2) . . . . ? 
C42 P3 C54 C49 165(2) . . . . ? 
C90 P3 C54 C49 146(11) . . . . ? 
C48 P3 C54 C49 -86(3) . . . . ? 
Ag3 P3 C54 C49 31(3) . . . . ? 
C90 C85 C86 C87 0.0 . . . . ? 
C85 C86 C87 C88 0.0 . . . . ? 
C86 C87 C88 C89 0.0 . . . . ? 
C87 C88 C89 C90 0.0 . . . . ? 
C88 C89 C90 C85 0.0 . . . . ? 
C88 C89 C90 P3 -170.7(10) . . . . ? 
C86 C85 C90 C89 0.0 . . . . ? 
C86 C85 C90 P3 171.6(9) . . . . ? 
C42 P3 C90 C89 -12.8(8) . . . . ? 
C48 P3 C90 C89 95.9(7) . . . . ? 
C54 P3 C90 C89 150(9) . . . . ? 
Ag3 P3 C90 C89 -139.7(6) . . . . ? 
C42 P3 C90 C85 176.1(6) . . . . ? 
C48 P3 C90 C85 -75.3(7) . . . . ? 
C54 P3 C90 C85 -21(9) . . . . ? 
Ag3 P3 C90 C85 49.1(8) . . . . ? 
C60 C55 C56 C57 55.4(8) . . . . ? 
C55 C56 C57 C58 -54.4(9) . . . . ? 
C56 C57 C58 C59 54.7(10) . . . . ? 
C57 C58 C59 C60 -56.8(9) . . . . ? 
C56 C55 C60 C59 -56.2(8) . . . . ? 
C56 C55 C60 P4 -178.2(5) . . . . ? 
C58 C59 C60 C55 57.6(8) . . . . ? 
C58 C59 C60 P4 -178.5(5) . . . . ? 
C66 P4 C60 C55 -178.3(8) . . . . ? 
C72 P4 C60 C55 -60.5(6) . . . . ? 
C84 P4 C60 C55 -163.6(5) . . . . ? 
Ag4 P4 C60 C55 67.9(5) . . . . ? 
C66 P4 C60 C59 59.5(9) . . . . ? 
C72 P4 C60 C59 177.3(5) . . . . ? 
C84 P4 C60 C59 74.1(6) . . . . ? 
Ag4 P4 C60 C59 -54.4(5) . . . . ? 
C66 C61 C62 C63 0.0 . . . . ? 
C61 C62 C63 C64 0.0 . . . . ? 
C62 C63 C64 C65 0.0 . . . . ? 
C63 C64 C65 C66 0.0 . . . . ? 
C64 C65 C66 C61 0.0 . . . . ? 
C64 C65 C66 P4 174.0(19) . . . . ? 
C62 C61 C66 C65 0.0 . . . . ? 
C62 C61 C66 P4 -174.6(17) . . . . ? 
C72 P4 C66 C65 141.4(11) . . . . ? 
C60 P4 C66 C65 -102.7(12) . . . . ? 
C84 P4 C66 C65 -166(4) . . . . ? 
Ag4 P4 C66 C65 17.1(13) . . . . ? 
C72 P4 C66 C61 -44.3(14) . . . . ? 
C60 P4 C66 C61 71.6(13) . . . . ? 
C84 P4 C66 C61 8(3) . . . . ? 
Ag4 P4 C66 C61 -168.6(11) . . . . ? 
C84 C79 C80 C81 0.0 . . . . ? 
C79 C80 C81 C82 0.0 . . . . ? 
C80 C81 C82 C83 0.0 . . . . ? 
C81 C82 C83 C84 0.0 . . . . ? 
C82 C83 C84 C79 0.0 . . . . ? 
C82 C83 C84 P4 174.6(6) . . . . ? 
C80 C79 C84 C83 0.0 . . . . ? 
C80 C79 C84 P4 -174.4(7) . . . . ? 
C66 P4 C84 C83 7(3) . . . . ? 
C72 P4 C84 C83 137.6(5) . . . . ? 
C60 P4 C84 C83 -113.0(5) . . . . ? 
Ag4 P4 C84 C83 10.3(6) . . . . ? 
C66 P4 C84 C79 -179(4) . . . . ? 
C72 P4 C84 C79 -47.9(6) . . . . ? 
C60 P4 C84 C79 61.5(6) . . . . ? 
Ag4 P4 C84 C79 -175.2(4) . . . . ? 
C72 C67 C68 C69 -0.2(11) . . . . ? 
C67 C68 C69 C70 1.2(13) . . . . ? 
C68 C69 C70 C71 -2.4(14) . . . . ? 
C69 C70 C71 C72 2.8(14) . . . . ? 
C70 C71 C72 C67 -1.8(13) . . . . ? 
C70 C71 C72 P4 -179.5(7) . . . . ? 
C68 C67 C72 C71 0.6(11) . . . . ? 
C68 C67 C72 P4 178.4(5) . . . . ? 
C66 P4 C72 C71 93.6(10) . . . . ? 
C60 P4 C72 C71 -21.2(8) . . . . ? 
C84 P4 C72 C71 80.6(8) . . . . ? 
Ag4 P4 C72 C71 -148.5(6) . . . . ? 
C66 P4 C72 C67 -84.1(9) . . . . ? 
C60 P4 C72 C67 161.1(5) . . . . ? 
C84 P4 C72 C67 -97.1(6) . . . . ? 
Ag4 P4 C72 C67 33.8(6) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.966 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    2.484 
_refine_diff_density_min   -1.265 
_refine_diff_density_rms    0.119 

  
data_xray006s 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C55.17 H65.33 Ag Cl2.33 I P3' 
_chemical_formula_weight          1138.80 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            trigonal 
_symmetry_space_group_name_H-M    'R -3'
_symmetry_space_group_name_Hall    '-R 3' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 'x+2/3, y+1/3, z+1/3' 
 '-y+2/3, x-y+1/3, z+1/3' 
 '-x+y+2/3, -x+1/3, z+1/3' 
 'x+1/3, y+2/3, z+2/3' 
 '-y+1/3, x-y+2/3, z+2/3' 
 '-x+y+1/3, -x+2/3, z+2/3' 
 '-x, -y, -z' 
 'y, -x+y, -z' 
 'x-y, x, -z' 
 '-x+2/3, -y+1/3, -z+1/3' 
 'y+2/3, -x+y+1/3, -z+1/3' 
 'x-y+2/3, x+1/3, -z+1/3' 
 '-x+1/3, -y+2/3, -z+2/3' 
 'y+1/3, -x+y+2/3, -z+2/3' 
 'x-y+1/3, x+2/3, -z+2/3' 
  
_cell_length_a                    41.722(5) 
_cell_length_b                    41.722(5) 
_cell_length_c                    15.312(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      23084(5) 
_cell_formula_units_Z             18 
_cell_measurement_temperature     120(2) 
_cell_measurement_reflns_used     1014 
_cell_measurement_theta_min       2.93 
_cell_measurement_theta_max       28.10 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.18 
_exptl_crystal_size_mid           0.17 
_exptl_crystal_size_min           0.14 
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.475 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              10458 
_exptl_absorpt_coefficient_mu     1.246 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.8068 
_exptl_absorpt_correction_T_max   0.8488 
_exptl_absorpt_process_details    'SADABS (Bruker, 2002)' 
  
_exptl_special_details 
; 
Data collection is performed with four batch runs at 
φ = 0.00 ° (600 frames), at φ = 90.00 ° 
(600 frames), at φ = 180 ° (600 frames) and 
at φ = 270 ° (600 frames). 
Frame width = 0.30 \& in ω. Data is 
merged, corrected for decay, and treated with 
multi-scan absorption corrections. 
; 
  
_diffrn_ambient_temperature       120(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker AXS APEX diffractometer' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  836.6 
_diffrn_standards_number          0 
_diffrn_standards_interval_count  0 
_diffrn_standards_interval_time   0 
_diffrn_standards_decay_%         1 
_diffrn_reflns_number             89885 
_diffrn_reflns_av_R_equivalents   0.0564 
_diffrn_reflns_av_sigmaI/netI     0.0375 
_diffrn_reflns_limit_h_min        -55 
_diffrn_reflns_limit_h_max        55 
_diffrn_reflns_limit_k_min        -55 
_diffrn_reflns_limit_k_max        55 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          1.69 
_diffrn_reflns_theta_max          28.29 
_reflns_number_total              12515 
_reflns_number_gt                 10231 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'SMART (Bruker, 2002)' 
_computing_cell_refinement        'SAINT (Bruker, 2002)' 
_computing_data_reduction         'SAINT (Bruker, 2002)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL (Bruker, 2002)' 
_computing_publication_material   'SHELXTL (Bruker, 2002)'
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0276P)²+53.5861P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          12515 
_refine_ls_number_parameters      532 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0495 
_refine_ls_R_factor_gt            0.0367 
_refine_ls_wR_factor_ref          0.0778 
_refine_ls_wR_factor_gt           0.0734 
_refine_ls_goodness_of_fit_ref    1.034 
_refine_ls_restrained_S_all       1.034 
_refine_ls_shift/su_max           0.006 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 0.661839(5) 0.138444(5) 0.054949(12) 0.01790(5) Uani 1 1 d . . . 
I1 I 0.659066(5) 0.138622(5) -0.130704(11) 0.02305(5) Uani 1 1 d . . . 
P1 P 0.713739(18) 0.124392(18) 0.08274(4) 0.01835(13) Uani 1 1 d . . . 
P2 P 0.596667(18) 0.090416(18) 0.10413(4) 0.01787(13) Uani 1 1 d . . . 
P3 P 0.676553(18) 0.203364(18) 0.10195(4) 0.01885(13) Uani 1 1 d . . . 
C1 C 0.75988(7) 0.15089(7) -0.06553(17) 0.0242(6) Uani 1 1 d . . . 
H1A H 0.7518 0.1249 -0.0814 0.029 Uiso 1 1 calc R . . 
H1B H 0.7418 0.1572 -0.0904 0.029 Uiso 1 1 calc R . . 
C2 C 0.79796(8) 0.17630(8) -0.10464(19) 0.0277(6) Uani 1 1 d . . . 
H2A H 0.8154 0.1682 -0.0850 0.033 Uiso 1 1 calc R . . 
H2B H 0.7963 0.1744 -0.1691 0.033 Uiso 1 1 calc R . . 
C3 C 0.81280(8) 0.21632(8) -0.0780(2) 0.0332(7) Uani 1 1 d . . . 
H3A H 0.7971 0.2255 -0.1038 0.040 Uiso 1 1 calc R . . 
H3B H 0.8382 0.2317 -0.1010 0.040 Uiso 1 1 calc R . . 
C4 C 0.81324(8) 0.22012(8) 0.0207(2) 0.0335(7) Uani 1 1 d . . . 
H4A H 0.8212 0.2461 0.0360 0.040 Uiso 1 1 calc R . . 
H4B H 0.8314 0.2140 0.0458 0.040 Uiso 1 1 calc R . . 
C5 C 0.77514(8) 0.19464(8) 0.06059(19) 0.0268(6) Uani 1 1 d . . . 
H5A H 0.7769 0.1967 0.1250 0.032 Uiso 1 1 calc R . . 
H5B H 0.7576 0.2027 0.0411 0.032 Uiso 1 1 calc R . . 
C6 C 0.76031(7) 0.15440(7) 0.03409(17) 0.0206(5) Uani 1 1 d . . . 
H6A H 0.7774 0.1463 0.0580 0.025 Uiso 1 1 calc R . . 
C7 C 0.75734(9) 0.13461(10) 0.2358(2) 0.0392(8) Uani 1 1 d . . . 
H7A H 0.7783 0.1425 0.1989 0.047 Uiso 1 1 calc R . . 
C8 C 0.76127(10) 0.13318(11) 0.3253(2) 0.0455(9) Uani 1 1 d . . . 
H8A H 0.7848 0.1399 0.3491 0.055 Uiso 1 1 calc R . . 
C9 C 0.73163(9) 0.12220(9) 0.38004(19) 0.0335(7) Uani 1 1 d . . . 
H9A H 0.7346 0.1213 0.4413 0.040 Uiso 1 1 calc R . . 
C10 C 0.69752(9) 0.11243(8) 0.34553(19) 0.0305(6) Uani 1 1 d . . . 
H10A H 0.6768 0.1048 0.3831 0.037 Uiso 1 1 calc R . . 
C11 C 0.69330(8) 0.11371(8) 0.25594(18) 0.0276(6) Uani 1 1 d . . . 
H11A H 0.6696 0.1070 0.2328 0.033 Uiso 1 1 calc R . . 
C12 C 0.72303(7) 0.12457(7) 0.19939(17) 0.0219(5) Uani 1 1 d . . . 
C13 C 0.71082(8) 0.05505(8) 0.09892(19) 0.0283(6) Uani 1 1 d . . . 
H13A H 0.7209 0.0626 0.1558 0.034 Uiso 1 1 calc R . . 
C14 C 0.70310(9) 0.02064(9) 0.0672(2) 0.0347(7) Uani 1 1 d . . . 
H14A H 0.7074 0.0046 0.1032 0.042 Uiso 1 1 calc R . . 
C15 C 0.68924(9) 0.00959(8) -0.0160(2) 0.0326(7) Uani 1 1 d . . . 
H15A H 0.6847 -0.0136 -0.0377 0.039 Uiso 1 1 calc R . . 
C16 C 0.68199(8) 0.03235(8) -0.06769(19) 0.0280(6) Uani 1 1 d . . . 
H16A H 0.6724 0.0247 -0.1249 0.034 Uiso 1 1 calc R . . 
C17 C 0.68875(7) 0.06652(7) -0.03618(18) 0.0243(6) Uani 1 1 d . . . 
H17A H 0.6831 0.0818 -0.0715 0.029 Uiso 1 1 calc R . . 
C18 C 0.70375(7) 0.07847(7) 0.04719(17) 0.0206(5) Uani 1 1 d . . . 
C19 C 0.60242(8) 0.02718(8) 0.08697(19) 0.0279(6) Uani 1 1 d . . . 
H19A H 0.6076 0.0288 0.1504 0.033 Uiso 1 1 calc R . . 
H19B H 0.6261 0.0431 0.0563 0.033 Uiso 1 1 calc R . . 
C20 C 0.58662(9) -0.01298(8) 0.0570(2) 0.0335(7) Uani 1 1 d . . . 
H20A H 0.6054 -0.0206 0.0661 0.040 Uiso 1 1 calc R . . 
H20B H 0.5647 -0.0293 0.0928 0.040 Uiso 1 1 calc R . . 
C21 C 0.57565(9) -0.01750(8) -0.03903(19) 0.0317(7) Uani 1 1 d . . . 
H21A H 0.5981 -0.0036 -0.0754 0.038 Uiso 1 1 calc R . . 
H21B H 0.5638 -0.0440 -0.0553 0.038 Uiso 1 1 calc R . . 
C22 C 0.54906(9) -0.00343(8) -0.0569(2) 0.0326(7) Uani 1 1 d . . . 
H22A H 0.5256 -0.0190 -0.0251 0.039 Uiso 1 1 calc R . . 
H22B H 0.5434 -0.0055 -0.1201 0.039 Uiso 1 1 calc R . . 
C23 C 0.56541(9) 0.03683(8) -0.02815(19) 0.0302(6) Uani 1 1 d . . . 
H23A H 0.5877 0.0527 -0.0633 0.036 Uiso 1 1 calc R . . 
H23B H 0.5472 0.0450 -0.0388 0.036 Uiso 1 1 calc R . . 
C24 C 0.57568(7) 0.04146(7) 0.06854(17) 0.0217(5) Uani 1 1 d . . . 
H24A H 0.5526 0.0263 0.1032 0.026 Uiso 1 1 calc R . . 
C25 C 0.56253(8) 0.11387(8) -0.01500(18) 0.0259(6) Uani 1 1 d . . . 
H25A H 0.5810 0.1155 -0.0540 0.031 Uiso 1 1 calc R . . 
C26 C 0.53628(8) 0.12263(8) -0.0440(2) 0.0297(6) Uani 1 1 d . . . 
H26A H 0.5365 0.1296 -0.1031 0.036 Uiso 1 1 calc R . . 
C27 C 0.50990(8) 0.12128(8) 0.0127(2) 0.0295(6) Uani 1 1 d . . . 
H27A H 0.4923 0.1277 -0.0072 0.035 Uiso 1 1 calc R . . 
C28 C 0.50916(8) 0.11059(8) 0.0983(2) 0.0286(6) Uani 1 1 d . . . 
H28A H 0.4913 0.1101 0.1375 0.034 Uiso 1 1 calc R . . 
C29 C 0.53442(7) 0.10050(7) 0.12748(18) 0.0246(6) Uani 1 1 d . . . 
H29A H 0.5331 0.0922 0.1858 0.030 Uiso 1 1 calc R . . 
C30 C 0.56180(7) 0.10257(7) 0.07143(17) 0.0192(5) Uani 1 1 d . . . 
C31 C 0.60732(8) 0.12084(8) 0.26892(19) 0.0316(7) Uani 1 1 d . . . 
H31A H 0.6189 0.1435 0.2373 0.038 Uiso 1 1 calc R . . 
C32 C 0.60601(9) 0.12189(9) 0.3589(2) 0.0375(7) Uani 1 1 d . . . 
H32A H 0.6163 0.1450 0.3883 0.045 Uiso 1 1 calc R . . 
C33 C 0.58983(9) 0.08956(10) 0.40585(19) 0.0369(7) Uani 1 1 d . . . 
H33A H 0.5886 0.0901 0.4677 0.044 Uiso 1 1 calc R . . 
C34 C 0.57550(12) 0.05655(10) 0.3629(2) 0.0569(11) Uani 1 1 d . . . 
H34A H 0.5648 0.0341 0.3953 0.068 Uiso 1 1 calc R . . 
C35 C 0.57639(11) 0.05543(9) 0.2721(2) 0.0459(9) Uani 1 1 d . . . 
H35A H 0.5660 0.0322 0.2432 0.055 Uiso 1 1 calc R . . 
C36 C 0.59222(7) 0.08768(7) 0.22320(17) 0.0208(5) Uani 1 1 d . . . 
C37 C 0.63076(9) 0.21030(8) -0.0211(2) 0.0308(6) Uani 1 1 d . . . 
H37A H 0.6210 0.1836 -0.0324 0.037 Uiso 1 1 calc R . . 
H37B H 0.6521 0.2246 -0.0604 0.037 Uiso 1 1 calc R . . 
C38 C 0.60050(10) 0.22004(9) -0.0408(2) 0.0409(8) Uani 1 1 d . . . 
H38A H 0.5934 0.2151 -0.1031 0.049 Uiso 1 1 calc R . . 
H38B H 0.5783 0.2041 -0.0052 0.049 Uiso 1 1 calc R . . 
C39 C 0.61384(10) 0.26061(9) -0.0206(3) 0.0434(8) Uani 1 1 d . . . 
H39A H 0.6341 0.2766 -0.0610 0.052 Uiso 1 1 calc R . . 
H39B H 0.5933 0.2657 -0.0297 0.052 Uiso 1 1 calc R . . 
C40 C 0.62749(9) 0.26987(8) 0.0730(2) 0.0373(8) Uani 1 1 d . . . 
H40A H 0.6065 0.2560 0.1134 0.045 Uiso 1 1 calc R . . 
H40B H 0.6375 0.2966 0.0834 0.045 Uiso 1 1 calc R . . 
C41 C 0.65757(8) 0.26011(8) 0.0917(2) 0.0305(6) Uani 1 1 d . . . 
H41A H 0.6794 0.2753 0.0544 0.037 Uiso 1 1 calc R . . 
H41B H 0.6654 0.2658 0.1535 0.037 Uiso 1 1 calc R . . 
C42 C 0.64345(7) 0.21915(7) 0.07416(19) 0.0236(6) Uani 1 1 d . . . 
H42A H 0.6211 0.2047 0.1115 0.028 Uiso 1 1 calc R . . 
C43 C 0.72711(8) 0.24058(7) -0.03101(18) 0.0242(6) Uani 1 1 d . . . 
H43A H 0.7095 0.2212 -0.0669 0.029 Uiso 1 1 calc R . . 
C44 C 0.75945(8) 0.26848(8) -0.06770(18) 0.0267(6) Uani 1 1 d . . . 
H44A H 0.7635 0.2686 -0.1288 0.032 Uiso 1 1 calc R . . 
C45 C 0.78583(8) 0.29627(8) -0.0154(2) 0.0299(6) Uani 1 1 d . . . 
H45A H 0.8082 0.3151 -0.0404 0.036 Uiso 1 1 calc R . . 
C46 C 0.77951(8) 0.29663(8) 0.07353(19) 0.0289(6) Uani 1 1 d . . . 
H46A H 0.7976 0.3157 0.1093 0.035 Uiso 1 1 calc R . . 
C47 C 0.74678(7) 0.26905(7) 0.11026(18) 0.0243(6) Uani 1 1 d . . . 
H47A H 0.7425 0.2695 0.1711 0.029 Uiso 1 1 calc R . . 
C48 C 0.72019(7) 0.24068(7) 0.05848(17) 0.0194(5) Uani 1 1 d . . . 
C49 C 0.66304(9) 0.22001(8) 0.2755(2) 0.0346(7) Uani 1 1 d . . . 
H49A H 0.6435 0.2229 0.2526 0.042 Uiso 1 1 calc R . . 
C50 C 0.67114(10) 0.22511(10) 0.3644(2) 0.0465(9) Uani 1 1 d . . . 
H50A H 0.6572 0.2318 0.4015 0.056 Uiso 1 1 calc R . . 
C51 C 0.69903(10) 0.22060(9) 0.3994(2) 0.0456(9) Uani 1 1 d . . . 
H51A H 0.7046 0.2246 0.4599 0.055 Uiso 1 1 calc R . . 
C52 C 0.71868(10) 0.21026(9) 0.3455(2) 0.0416(8) Uani 1 1 d . . . 
H52A H 0.7376 0.2065 0.3691 0.050 Uiso 1 1 calc R . . 
C53 C 0.71097(9) 0.20530(8) 0.25703(19) 0.0312(6) Uani 1 1 d . . . 
H53A H 0.7247 0.1980 0.2207 0.037 Uiso 1 1 calc R . . 
C54 C 0.68359(7) 0.21072(7) 0.22011(17) 0.0233(6) Uani 1 1 d . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 P1 2.5462(7) . ? 
Ag1 P2 2.5549(7) . ? 
Ag1 P3 2.5629(7) . ? 
Ag1 I1 2.8453(5) . ? 
P1 C12 1.827(3) . ? 
P1 C18 1.828(3) . ? 
P1 C6 1.861(3) . ? 
P2 C36 1.830(3) . ? 
P2 C30 1.833(3) . ? 
P2 C24 1.857(3) . ? 
P3 C48 1.829(3) . ? 
P3 C54 1.834(3) . ? 
P3 C42 1.853(3) . ? 
C1 C2 1.524(4) . ? 
C1 C6 1.532(4) . ? 
C1 H1A 0.9900 . ? 
C1 H1B 0.9900 . ? 
C2 C3 1.518(4) . ? 
C2 H2A 0.9900 . ? 
C2 H2B 0.9900 . ? 
C3 C4 1.519(4) . ? 
C3 H3A 0.9900 . ? 
C3 H3B 0.9900 . ? 
C4 C5 1.530(4) . ? 
C4 H4A 0.9900 . ? 
C4 H4B 0.9900 . ? 
C5 C6 1.526(4) . ? 
C5 H5A 0.9900 . ? 
C5 H5B 0.9900 . ? 
C6 H6A 1.0000 . ? 
C7 C8 1.385(4) . ? 
C7 C12 1.392(4) . ? 
C7 H7A 0.9500 . ? 
C8 C9 1.369(5) . ? 
C8 H8A 0.9500 . ? 
C9 C10 1.375(4) . ? 
C9 H9A 0.9500 . ? 
C10 C11 1.387(4) . ? 
C10 H10A 0.9500 . ? 
C11 C12 1.390(4) . ? 
C11 H11A 0.9500 . ? 
C13 C14 1.392(4) . ? 
C13 C18 1.399(4) . ? 
C13 H13A 0.9500 . ? 
C14 C15 1.379(4) . ? 
C14 H14A 0.9500 . ? 
C15 C16 1.381(4) . ? 
C15 H15A 0.9500 . ? 
C16 C17 1.394(4) . ? 
C16 H16A 0.9500 . ? 
C17 C18 1.399(4) . ? 
C17 H17A 0.9500 . ? 
C19 C24 1.531(4) . ? 
C19 C20 1.532(4) . ? 
C19 H19A 0.9900 . ? 
C19 H19B 0.9900 . ? 
C20 C21 1.524(4) . ? 
C20 H20A 0.9900 . ? 
C20 H20B 0.9900 . ? 
C21 C22 1.517(4) . ? 
C21 H21A 0.9900 . ? 
C21 H21B 0.9900 . ? 
C22 C23 1.528(4) . ? 
C22 H22A 0.9900 . ? 
C22 H22B 0.9900 . ? 
C23 C24 1.527(4) . ? 
C23 H23A 0.9900 . ? 
C23 H23B 0.9900 . ? 
C24 H24A 1.0000 . ? 
C25 C26 1.389(4) . ? 
C25 C30 1.400(4) . ? 
C25 H25A 0.9500 . ? 
C26 C27 1.380(4) . ? 
C26 H26A 0.9500 . ? 
C27 C28 1.379(4) . ? 
C27 H27A 0.9500 . ? 
C28 C29 1.390(4) . ? 
C28 H28A 0.9500 . ? 
C29 C30 1.397(4) . ? 
C29 H29A 0.9500 . ? 
C31 C32 1.381(4) . ? 
C31 C36 1.389(4) . ? 
C31 H31A 0.9500 . ? 
C32 C33 1.372(4) . ? 
C32 H32A 0.9500 . ? 
C33 C34 1.365(5) . ? 
C33 H33A 0.9500 . ? 
C34 C35 1.393(5) . ? 
C34 H34A 0.9500 . ? 
C35 C36 1.385(4) . ? 
C35 H35A 0.9500 . ? 
C37 C42 1.533(4) . ? 
C37 C38 1.537(4) . ? 
C37 H37A 0.9900 . ? 
C37 H37B 0.9900 . ? 
C38 C39 1.526(4) . ? 
C38 H38A 0.9900 . ? 
C38 H38B 0.9900 . ? 
C39 C40 1.518(5) . ? 
C39 H39A 0.9900 . ? 
C39 H39B 0.9900 . ? 
C40 C41 1.528(4) . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
C41 C42 1.528(4) . ? 
C41 H41A 0.9900 . ? 
C41 H41B 0.9900 . ? 
C42 H42A 1.0000 . ? 
C43 C44 1.386(4) . ? 
C43 C48 1.401(4) . ? 
C43 H43A 0.9500 . ? 
C44 C45 1.386(4) . ? 
C44 H44A 0.9500 . ? 
C45 C46 1.388(4) . ? 
C45 H45A 0.9500 . ? 
C46 C47 1.391(4) . ? 
C46 H46A 0.9500 . ? 
C47 C48 1.395(4) . ? 
C47 H47A 0.9500 . ? 
C49 C54 1.392(4) . ? 
C49 C50 1.394(4) . ? 
C49 H49A 0.9500 . ? 
C50 C51 1.376(5) . ? 
C50 H50A 0.9500 . ? 
C51 C52 1.376(5) . ? 
C51 H51A 0.9500 . ? 
C52 C53 1.384(4) . ? 
C52 H52A 0.9500 . ? 
C53 C54 1.391(4) . ? 
C53 H53A 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
P1 Ag1 P2 117.66(2) . . ? 
P1 Ag1 P3 114.49(2) . . ? 
P2 Ag1 P3 110.17(2) . . ? 
P1 Ag1 I1 102.001(16) . . ? 
P2 Ag1 I1 105.534(17) . . ? 
P3 Ag1 I1 105.449(17) . . ? 
C12 P1 C18 103.43(12) . . ? 
C12 P1 C6 103.92(12) . . ? 
C18 P1 C6 101.54(12) . . ? 
C12 P1 Ag1 111.44(9) . . ? 
C18 P1 Ag1 114.65(9) . . ? 
C6 P1 Ag1 120.01(9) . . ? 
C36 P2 C30 102.69(12) . . ? 
C36 P2 C24 104.26(12) . . ? 
C30 P2 C24 102.77(11) . . ? 
C36 P2 Ag1 112.17(8) . . ? 
C30 P2 Ag1 112.53(8) . . ? 
C24 P2 Ag1 120.53(9) . . ? 
C48 P3 C54 102.04(12) . . ? 
C48 P3 C42 102.44(12) . . ? 
C54 P3 C42 104.63(13) . . ? 
C48 P3 Ag1 114.07(8) . . ? 
C54 P3 Ag1 112.80(9) . . ? 
C42 P3 Ag1 118.95(9) . . ? 
C2 C1 C6 111.5(2) . . ? 
C2 C1 H1A 109.3 . . ? 
C6 C1 H1A 109.3 . . ? 
C2 C1 H1B 109.3 . . ? 
C6 C1 H1B 109.3 . . ? 
H1A C1 H1B 108.0 . . ? 
C3 C2 C1 111.7(2) . . ? 
C3 C2 H2A 109.3 . . ? 
C1 C2 H2A 109.3 . . ? 
C3 C2 H2B 109.3 . . ? 
C1 C2 H2B 109.3 . . ? 
H2A C2 H2B 107.9 . . ? 
C2 C3 C4 111.0(2) . . ? 
C2 C3 H3A 109.4 . . ? 
C4 C3 H3A 109.4 . . ? 
C2 C3 H3B 109.4 . . ? 
C4 C3 H3B 109.4 . . ? 
H3A C3 H3B 108.0 . . ? 
C3 C4 C5 111.8(2) . . ? 
C3 C4 H4A 109.3 . . ? 
C5 C4 H4A 109.3 . . ? 
C3 C4 H4B 109.3 . . ? 
C5 C4 H4B 109.3 . . ? 
H4A C4 H4B 107.9 . . ? 
C6 C5 C4 111.6(2) . . ? 
C6 C5 H5A 109.3 . . ? 
C4 C5 H5A 109.3 . . ? 
C6 C5 H5B 109.3 . . ? 
C4 C5 H5B 109.3 . . ? 
H5A C5 H5B 108.0 . . ? 
C5 C6 C1 110.4(2) . . ? 
C5 C6 P1 110.27(18) . . ? 
C1 C6 P1 112.07(18) . . ? 
C5 C6 H6A 108.0 . . ? 
C1 C6 H6A 108.0 . . ? 
P1 C6 H6A 108.0 . . ? 
C8 C7 C12 120.6(3) . . ? 
C8 C7 H7A 119.7 . . ? 
C12 C7 H7A 119.7 . . ? 
C9 C8 C7 120.9(3) . . ? 
C9 C8 H8A 119.5 . . ? 
C7 C8 H8A 119.5 . . ? 
C8 C9 C10 119.5(3) . . ? 
C8 C9 H9A 120.3 . . ? 
C10 C9 H9A 120.3 . . ? 
C9 C10 C11 120.1(3) . . ? 
C9 C10 H10A 120.0 . . ? 
C11 C10 H10A 120.0 . . ? 
C10 C11 C12 121.3(3) . . ? 
C10 C11 H11A 119.4 . . ? 
C12 C11 H11A 119.4 . . ? 
C11 C12 C7 117.7(3) . . ? 
C11 C12 P1 117.1(2) . . ? 
C7 C12 P1 125.3(2) . . ? 
C14 C13 C18 120.1(3) . . ? 
C14 C13 H13A 119.9 . . ? 
C18 C13 H13A 119.9 . . ? 
C15 C14 C13 120.6(3) . . ? 
C15 C14 H14A 119.7 . . ? 
C13 C14 H14A 119.7 . . ? 
C14 C15 C16 119.9(3) . . ? 
C14 C15 H15A 120.0 . . ? 
C16 C15 H15A 120.0 . . ? 
C15 C16 C17 120.2(3) . . ? 
C15 C16 H16A 119.9 . . ? 
C17 C16 H16A 119.9 . . ? 
C16 C17 C18 120.4(3) . . ? 
C16 C17 H17A 119.8 . . ? 
C18 C17 H17A 119.8 . . ? 
C13 C18 C17 118.7(2) . . ? 
C13 C18 P1 123.1(2) . . ? 
C17 C18 P1 118.2(2) . . ? 
C24 C19 C20 111.8(2) . . ? 
C24 C19 H19A 109.3 . . ? 
C20 C19 H19A 109.3 . . ? 
C24 C19 H19B 109.3 . . ? 
C20 C19 H19B 109.3 . . ? 
H19A C19 H19B 107.9 . . ? 
C21 C20 C19 111.3(2) . . ? 
C21 C20 H20A 109.4 . . ? 
C19 C20 H20A 109.4 . . ? 
C21 C20 H20B 109.4 . . ? 
C19 C20 H20B 109.4 . . ? 
H20A C20 H20B 108.0 . . ? 
C22 C21 C20 111.0(2) . . ? 
C22 C21 H21A 109.4 . . ? 
C20 C21 H21A 109.4 . . ? 
C22 C21 H21B 109.4 . . ? 
C20 C21 H21B 109.4 . . ? 
H21A C21 H21B 108.0 . . ? 
C21 C22 C23 111.3(2) . . ? 
C21 C22 H22A 109.4 . . ? 
C23 C22 H22A 109.4 . . ? 
C21 C22 H22B 109.4 . . ? 
C23 C22 H22B 109.4 . . ? 
H22A C22 H22B 108.0 . . ? 
C24 C23 C22 111.2(2) . . ? 
C24 C23 H23A 109.4 . . ? 
C22 C23 H23A 109.4 . . ? 
C24 C23 H23B 109.4 . . ? 
C22 C23 H23B 109.4 . . ? 
H23A C23 H23B 108.0 . . ? 
C23 C24 C19 110.0(2) . . ? 
C23 C24 P2 111.83(18) . . ? 
C19 C24 P2 109.83(18) . . ? 
C23 C24 H24A 108.3 . . ? 
C19 C24 H24A 108.3 . . ? 
P2 C24 H24A 108.3 . . ? 
C26 C25 C30 120.2(3) . . ? 
C26 C25 H25A 119.9 . . ? 
C30 C25 H25A 119.9 . . ? 
C27 C26 C25 120.4(3) . . ? 
C27 C26 H26A 119.8 . . ? 
C25 C26 H26A 119.8 . . ? 
C28 C27 C26 119.9(3) . . ? 
C28 C27 H27A 120.0 . . ? 
C26 C27 H27A 120.0 . . ? 
C27 C28 C29 120.4(3) . . ? 
C27 C28 H28A 119.8 . . ? 
C29 C28 H28A 119.8 . . ? 
C28 C29 C30 120.3(3) . . ? 
C28 C29 H29A 119.9 . . ? 
C30 C29 H29A 119.9 . . ? 
C29 C30 C25 118.8(2) . . ? 
C29 C30 P2 123.6(2) . . ? 
C25 C30 P2 117.7(2) . . ? 
C32 C31 C36 122.0(3) . . ? 
C32 C31 H31A 119.0 . . ? 
C36 C31 H31A 119.0 . . ? 
C33 C32 C31 120.0(3) . . ? 
C33 C32 H32A 120.0 . . ? 
C31 C32 H32A 120.0 . . ? 
C34 C33 C32 119.5(3) . . ? 
C34 C33 H33A 120.3 . . ? 
C32 C33 H33A 120.3 . . ? 
C33 C34 C35 120.6(3) . . ? 
C33 C34 H34A 119.7 . . ? 
C35 C34 H34A 119.7 . . ? 
C36 C35 C34 121.0(3) . . ? 
C36 C35 H35A 119.5 . . ? 
C34 C35 H35A 119.5 . . ? 
C35 C36 C31 117.0(3) . . ? 
C35 C36 P2 125.7(2) . . ? 
C31 C36 P2 117.3(2) . . ? 
C42 C37 C38 110.7(2) . . ? 
C42 C37 H37A 109.5 . . ? 
C38 C37 H37A 109.5 . . ? 
C42 C37 H37B 109.5 . . ? 
C38 C37 H37B 109.5 . . ? 
H37A C37 H37B 108.1 . . ? 
C39 C38 C37 111.2(3) . . ? 
C39 C38 H38A 109.4 . . ? 
C37 C38 H38A 109.4 . . ? 
C39 C38 H38B 109.4 . . ? 
C37 C38 H38B 109.4 . . ? 
H38A C38 H38B 108.0 . . ? 
C40 C39 C38 110.8(3) . . ? 
C40 C39 H39A 109.5 . . ? 
C38 C39 H39A 109.5 . . ? 
C40 C39 H39B 109.5 . . ? 
C38 C39 H39B 109.5 . . ? 
H39A C39 H39B 108.1 . . ? 
C39 C40 C41 111.3(3) . . ? 
C39 C40 H40A 109.4 . . ? 
C41 C40 H40A 109.4 . . ? 
C39 C40 H40B 109.4 . . ? 
C41 C40 H40B 109.4 . . ? 
H40A C40 H40B 108.0 . . ? 
C42 C41 C40 110.9(2) . . ? 
C42 C41 H41A 109.5 . . ? 
C40 C41 H41A 109.5 . . ? 
C42 C41 H41B 109.5 . . ? 
C40 C41 H41B 109.5 . . ? 
H41A C41 H41B 108.1 . . ? 
C41 C42 C37 109.3(2) . . ? 
C41 C42 P3 114.71(19) . . ? 
C37 C42 P3 111.23(18) . . ? 
C41 C42 H42A 107.1 . . ? 
C37 C42 H42A 107.1 . . ? 
P3 C42 H42A 107.1 . . ? 
C44 C43 C48 120.6(3) . . ? 
C44 C43 H43A 119.7 . . ? 
C48 C43 H43A 119.7 . . ? 
C43 C44 C45 120.1(3) . . ? 
C43 C44 H44A 120.0 . . ? 
C45 C44 H44A 120.0 . . ? 
C44 C45 C46 120.0(3) . . ? 
C44 C45 H45A 120.0 . . ? 
C46 C45 H45A 120.0 . . ? 
C45 C46 C47 120.1(3) . . ? 
C45 C46 H46A 120.0 . . ? 
C47 C46 H46A 120.0 . . ? 
C46 C47 C48 120.5(3) . . ? 
C46 C47 H47A 119.8 . . ? 
C48 C47 H47A 119.8 . . ? 
C47 C48 C43 118.7(2) . . ? 
C47 C48 P3 123.1(2) . . ? 
C43 C48 P3 118.18(19) . . ? 
C54 C49 C50 120.1(3) . . ? 
C54 C49 H49A 120.0 . . ? 
C50 C49 H49A 120.0 . . ? 
C51 C50 C49 121.1(3) . . ? 
C51 C50 H50A 119.4 . . ? 
C49 C50 H50A 119.4 . . ? 
C52 C51 C50 119.1(3) . . ? 
C52 C51 H51A 120.4 . . ? 
C50 C51 H51A 120.4 . . ? 
C51 C52 C53 120.2(3) . . ? 
C51 C52 H52A 119.9 . . ? 
C53 C52 H52A 119.9 . . ? 
C52 C53 C54 121.5(3) . . ? 
C52 C53 H53A 119.3 . . ? 
C54 C53 H53A 119.3 . . ? 
C53 C54 C49 117.9(3) . . ? 
C53 C54 P3 116.7(2) . . ? 
C49 C54 P3 125.3(2) . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
P2 Ag1 P1 C12 -67.60(10) . . . . ? 
P3 Ag1 P1 C12 64.20(10) . . . . ? 
I1 Ag1 P1 C12 177.53(9) . . . . ? 
P2 Ag1 P1 C18 49.45(10) . . . . ? 
P3 Ag1 P1 C18 -178.76(9) . . . . ? 
I1 Ag1 P1 C18 -65.42(9) . . . . ? 
P2 Ag1 P1 C6 170.72(10) . . . . ? 
P3 Ag1 P1 C6 -57.48(10) . . . . ? 
I1 Ag1 P1 C6 55.85(10) . . . . ? 
P1 Ag1 P2 C36 69.68(10) . . . . ? 
P3 Ag1 P2 C36 -64.03(10) . . . . ? 
I1 Ag1 P2 C36 -177.40(9) . . . . ? 
P1 Ag1 P2 C30 -175.12(9) . . . . ? 
P3 Ag1 P2 C30 51.17(9) . . . . ? 
I1 Ag1 P2 C30 -62.20(9) . . . . ? 
P1 Ag1 P2 C24 -53.62(10) . . . . ? 
P3 Ag1 P2 C24 172.66(10) . . . . ? 
I1 Ag1 P2 C24 59.29(10) . . . . ? 
P1 Ag1 P3 C48 52.03(10) . . . . ? 
P2 Ag1 P3 C48 -172.67(9) . . . . ? 
I1 Ag1 P3 C48 -59.25(9) . . . . ? 
P1 Ag1 P3 C54 -63.79(10) . . . . ? 
P2 Ag1 P3 C54 71.51(10) . . . . ? 
I1 Ag1 P3 C54 -175.07(10) . . . . ? 
P1 Ag1 P3 C42 173.14(10) . . . . ? 
P2 Ag1 P3 C42 -51.57(11) . . . . ? 
I1 Ag1 P3 C42 61.85(11) . . . . ? 
C6 C1 C2 C3 -55.7(3) . . . . ? 
C1 C2 C3 C4 55.0(3) . . . . ? 
C2 C3 C4 C5 -54.7(3) . . . . ? 
C3 C4 C5 C6 55.2(3) . . . . ? 
C4 C5 C6 C1 -54.9(3) . . . . ? 
C4 C5 C6 P1 -179.3(2) . . . . ? 
C2 C1 C6 C5 55.2(3) . . . . ? 
C2 C1 C6 P1 178.60(19) . . . . ? 
C12 P1 C6 C5 -69.7(2) . . . . ? 
C18 P1 C6 C5 -176.80(19) . . . . ? 
Ag1 P1 C6 C5 55.6(2) . . . . ? 
C12 P1 C6 C1 166.88(19) . . . . ? 
C18 P1 C6 C1 59.7(2) . . . . ? 
Ag1 P1 C6 C1 -67.8(2) . . . . ? 
C12 C7 C8 C9 -0.6(6) . . . . ? 
C7 C8 C9 C10 0.1(5) . . . . ? 
C8 C9 C10 C11 0.1(5) . . . . ? 
C9 C10 C11 C12 0.3(4) . . . . ? 
C10 C11 C12 C7 -0.8(4) . . . . ? 
C10 C11 C12 P1 179.0(2) . . . . ? 
C8 C7 C12 C11 0.9(5) . . . . ? 
C8 C7 C12 P1 -178.9(3) . . . . ? 
C18 P1 C12 C11 -92.6(2) . . . . ? 
C6 P1 C12 C11 161.7(2) . . . . ? 
Ag1 P1 C12 C11 31.1(2) . . . . ? 
C18 P1 C12 C7 87.2(3) . . . . ? 
C6 P1 C12 C7 -18.5(3) . . . . ? 
Ag1 P1 C12 C7 -149.1(2) . . . . ? 
C18 C13 C14 C15 1.5(5) . . . . ? 
C13 C14 C15 C16 -1.8(5) . . . . ? 
C14 C15 C16 C17 0.2(5) . . . . ? 
C15 C16 C17 C18 1.5(4) . . . . ? 
C14 C13 C18 C17 0.2(4) . . . . ? 
C14 C13 C18 P1 -179.0(2) . . . . ? 
C16 C17 C18 C13 -1.7(4) . . . . ? 
C16 C17 C18 P1 177.5(2) . . . . ? 
C12 P1 C18 C13 -12.4(3) . . . . ? 
C6 P1 C18 C13 95.1(2) . . . . ? 
Ag1 P1 C18 C13 -133.9(2) . . . . ? 
C12 P1 C18 C17 168.4(2) . . . . ? 
C6 P1 C18 C17 -84.1(2) . . . . ? 
Ag1 P1 C18 C17 46.9(2) . . . . ? 
C24 C19 C20 C21 55.0(3) . . . . ? 
C19 C20 C21 C22 -54.8(4) . . . . ? 
C20 C21 C22 C23 56.1(4) . . . . ? 
C21 C22 C23 C24 -57.3(3) . . . . ? 
C22 C23 C24 C19 56.3(3) . . . . ? 
C22 C23 C24 P2 178.6(2) . . . . ? 
C20 C19 C24 C23 -55.4(3) . . . . ? 
C20 C19 C24 P2 -178.9(2) . . . . ? 
C36 P2 C24 C23 161.5(2) . . . . ? 
C30 P2 C24 C23 54.7(2) . . . . ? 
Ag1 P2 C24 C23 -71.5(2) . . . . ? 
C36 P2 C24 C19 -76.0(2) . . . . ? 
C30 P2 C24 C19 177.15(19) . . . . ? 
Ag1 P2 C24 C19 51.0(2) . . . . ? 
C30 C25 C26 C27 1.8(4) . . . . ? 
C25 C26 C27 C28 -1.1(4) . . . . ? 
C26 C27 C28 C29 -1.1(4) . . . . ? 
C27 C28 C29 C30 2.7(4) . . . . ? 
C28 C29 C30 C25 -1.9(4) . . . . ? 
C28 C29 C30 P2 179.3(2) . . . . ? 
C26 C25 C30 C29 -0.3(4) . . . . ? 
C26 C25 C30 P2 178.6(2) . . . . ? 
C36 P2 C30 C29 -13.2(2) . . . . ? 
C24 P2 C30 C29 94.9(2) . . . . ? 
Ag1 P2 C30 C29 -134.0(2) . . . . ? 
C36 P2 C30 C25 168.0(2) . . . . ? 
C24 P2 C30 C25 -84.0(2) . . . . ? 
Ag1 P2 C30 C25 47.2(2) . . . . ? 
C36 C31 C32 C33 0.8(5) . . . . ? 
C31 C32 C33 C34 0.7(5) . . . . ? 
C32 C33 C34 C35 -1.5(6) . . . . ? 
C33 C34 C35 C36 0.9(6) . . . . ? 
C34 C35 C36 C31 0.6(5) . . . . ? 
C34 C35 C36 P2 177.9(3) . . . . ? 
C32 C31 C36 C35 -1.4(5) . . . . ? 
C32 C31 C36 P2 -179.0(3) . . . . ? 
C30 P2 C36 C35 106.8(3) . . . . ? 
C24 P2 C36 C35 -0.1(3) . . . . ? 
Ag1 P2 C36 C35 -132.1(3) . . . . ? 
C30 P2 C36 C31 -75.9(2) . . . . ? 
C24 P2 C36 C31 177.2(2) . . . . ? 
Ag1 P2 C36 C31 45.1(2) . . . . ? 
C42 C37 C38 C39 56.8(4) . . . . ? 
C37 C38 C39 C40 -55.1(4) . . . . ? 
C38 C39 C40 C41 55.4(4) . . . . ? 
C39 C40 C41 C42 -57.6(4) . . . . ? 
C40 C41 C42 C37 58.3(3) . . . . ? 
C40 C41 C42 P3 -176.0(2) . . . . ? 
C38 C37 C42 C41 -57.9(3) . . . . ? 
C38 C37 C42 P3 174.4(2) . . . . ? 
C48 P3 C42 C41 -43.7(2) . . . . ? 
C54 P3 C42 C41 62.4(2) . . . . ? 
Ag1 P3 C42 C41 -170.54(18) . . . . ? 
C48 P3 C42 C37 81.0(2) . . . . ? 
C54 P3 C42 C37 -172.8(2) . . . . ? 
Ag1 P3 C42 C37 -45.8(2) . . . . ? 
C48 C43 C44 C45 1.9(4) . . . . ? 
C43 C44 C45 C46 -1.4(4) . . . . ? 
C44 C45 C46 C47 0.2(5) . . . . ? 
C45 C46 C47 C48 0.5(4) . . . . ? 
C46 C47 C48 C43 0.0(4) . . . . ? 
C46 C47 C48 P3 179.8(2) . . . . ? 
C44 C43 C48 C47 -1.2(4) . . . . ? 
C44 C43 C48 P3 179.0(2) . . . . ? 
C54 P3 C48 C47 -9.1(3) . . . . ? 
C42 P3 C48 C47 99.1(2) . . . . ? 
Ag1 P3 C48 C47 -131.0(2) . . . . ? 
C54 P3 C48 C43 170.8(2) . . . . ? 
C42 P3 C48 C43 -81.1(2) . . . . ? 
Ag1 P3 C48 C43 48.8(2) . . . . ? 
C54 C49 C50 C51 -0.9(5) . . . . ? 
C49 C50 C51 C52 -1.2(5) . . . . ? 
C50 C51 C52 C53 1.5(5) . . . . ? 
C51 C52 C53 C54 0.3(5) . . . . ? 
C52 C53 C54 C49 -2.4(4) . . . . ? 
C52 C53 C54 P3 179.7(2) . . . . ? 
C50 C49 C54 C53 2.6(4) . . . . ? 
C50 C49 C54 P3 -179.6(2) . . . . ? 
C48 P3 C54 C53 -65.9(2) . . . . ? 
C42 P3 C54 C53 -172.4(2) . . . . ? 
Ag1 P3 C54 C53 56.9(2) . . . . ? 
C48 P3 C54 C49 116.3(2) . . . . ? 
C42 P3 C54 C49 9.8(3) . . . . ? 
Ag1 P3 C54 C49 -120.9(2) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.981 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.841 
_refine_diff_density_min   -0.356 
_refine_diff_density_rms    0.087 

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
         1     0.000     0.000     0.000     125.4      54.7
         2     0.000     0.000     0.500      10.3      -0.5
         3     0.033     0.271     0.678      95.5      41.0
         4    -0.033     0.729     0.322      95.4      40.9
         5     0.062     0.429     0.345      94.8      40.8
         6     0.095     0.700     0.989      94.7      41.2
         7     0.238     0.967     0.678      95.6      40.8
         8     0.271     0.238     0.322      95.0      41.1
         9     0.300     0.395    -0.011      94.9      41.0
        10     0.333     0.667     0.667     124.5      54.7
        11     0.333     0.667     0.167      11.1      -0.5
        12     0.367     0.938     0.345      95.0      41.1
        13     0.395     0.095     1.011      94.9      40.9
        14     0.428     0.367     0.655      95.1      41.1
        15     0.571     0.633     0.345      95.3      40.8
        16     0.605     0.905     0.989      94.9      41.2
        17     0.633     0.062     0.655      94.9      40.9
        18     0.667     0.333     0.333     124.6      54.7
        19     0.667     0.333     0.833      11.1      -0.5
        20     0.700     0.605     1.011      94.9      41.1
        21     0.729     0.762     0.678      95.0      40.8
        22     0.762     0.033     0.322      95.5      41.1
        23     0.905     0.300     0.011      94.8      40.9
        24     0.938     0.571     0.655      94.8      41.1
_platon_squeeze_details
; 
PLATON Reference : Spek, A.L. (2003), J.Appl.Cryst. 36, 7-13
Void space analysis consistent with 1.1667 molecules of cocrystallized 
methylene chloride solvent per compound molecule. 
The 1/6 occupied solvent is heavily disordered and located at a -3 axis.
;


  
