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

data_New_Global_Publ_Block

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

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# 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. E'
_publ_requested_category             'EM'   

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

# TITLE AND AUTHOR LIST

_publ_section_title
;
catena-(bis(μ₂-cyano)-bis(cyclohexyldiphenylphosphine)-di-silver(I))
methylene chloride solvate
;
_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
'Xie, Xiaocong'
;
Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
USA
;
.
'Saparov, Bayrammurad'
;
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
;
The structure of the 1:1 AgCN:cyclohexyldiphenylphosphine adduct,
catena-(bis(μ₂-cyano)-bis(cyclohexyldiphenylphosphine)-di-silver(I))
methylene chloride solvate, (C₃₉H₄₄Ag₂Cl₂N₂P₂)~∞~, at 120(2)
K has monoclinic (P2₁) symmetry. The compound has a chiral, polymeric
structure similar to that previously reported for the triphenylphosphine
analogue (Bowmaker, Effendy, Reid et al., 1998).
;
_publ_section_comment
;
The 1:1 adduct of AgCN and triphenylphosphine (PPh₃) is known to yield
polymer chains (Bowmaker, Effendy, Reid et al., 1998) since the cyanide
ligand can coordinate through either the C or N atoms. In comparison, the 1:1
adduct of AgCN and the more sterically demanding tricyclohexylphosphine
(PCy₃) can yield, in addition to the polymer (Bowmaker, Effendy, Junk &
White, 1998), a di-silver bis-phosphine monomeric complex (Lin et al.,
2005). 

Indeed when the even bulkier tri(1-cyclohepta-2,4,6-trienyl)phosphine is used
the N atom coordination of the cyanide ligand is blocked and only a linear,
monomeric 1:1 silver phosphine cyanide is observed (Herberhold et al.,
2006). In comparison, the mono-Ag phosphine cyano adducts reported are 1:2
AgCN:PCy₃ (Bowmaker et al., 1996) and 1:3 AgCN:PPh (Bowmaker,
Effendy, Reid et al., 1998). 

In order to generate polymers with bigger phosphines, a second much smaller
ligand may be employed to complete the tetrahedral coordination on the
phosphine-bearing Ag as in the case of
AgCN:P(o-tolyl)₃:pyridine (2:1:1) (Bowmaker, Effendy, Reid
et al., 1998) or using less phosphine and changing the coordination
around the phosphine-bearing Ag to trigonal as in the case of the 2:1
AgCN:PCy₃ polymer (Lin et al., 2005). Surprisingly, the reported
synthesis of both the 2:1 and the 1:1 AgCN:PCy₃ polymers require a 1:1 molar
ratio of the reactants! 

We have decided to use cyclohexyldiphenylphosphine (PCyPh₂) in order to
explore the structural chemistry in the steric regime intermediate between
PCy₃ and PPh₃. We have been able to synthesize the title compound which is
a polymer similar to that reported for the PPh₃ case. The monomeric unit can
be described as linear bis-cyano Ag complex (formally a -1 anion) coordinated
via the C atoms, and a tetrahedral Ag complex with two phosphines
(formally a +1 cation). The tetrahedral coordination sphere is completed by
dative bonds through the N lone pairs of two bis-cyano Ag fragments. The
polymer is propagated by a twofold screw causing each polymer strand to be
chiral. Crystallization in a noncentrosymmetric space group implies
spontaneous resolution from the solution which could be achiral if the
solvated species is different from the solid-state or racemic if the polymers
persist in solution. In contrast, the enantiomeric polymers with PPh₃
crystallized in centrosymmetric, and therefore racemic, crystals. Even at a
twofold excess of the phosphine, only the 1:1 polymer is observed suggesting
that the PCyPh₃ phosphine has structural behaviour more similar to PPh₃
than to PCy₃.
;
_publ_section_acknowledgements 	# remove if not required
;
We wish to thank Professor Klaus H. Theopold and John Young 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
;
Bowmaker, G. A., Effendy, Harvey, P. J., Healey, P. C., Skelton, B. W. & White,
A. H. (1996). J. Chem. Soc. Dalton Trans. 2449--2457.

Bowmaker, G. A., Effendy, Junk, P. C. & White, A. H. (1998). J. Chem. Soc.
Dalton Trans. 2131--2138.

Bowmaker, G. A., Effendy, Reid, J. C., Rickard, C. E. F., Skelton, B. W. &
White, A. H. (1998). J. Chem. Soc. Dalton Trans. 2139--2146.

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.

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

Herberhold, M., Milius, W. & Akkus, N. (2006). Z. Anorg. Allg. Chem.
632, 97--100.

Lin, Y., Lai, S., Che, C., Fu, W., Zhou, Z. & Zhu, N. (2005). Inorg.
Chem. 44, 5, 1511--1524.

Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of
Göttingen, Germany.
;
_publ_section_figure_captions
;
Figure 1. Molecular diagram of a monomeric unit of the title compound with the
major contributor of cocrystallized solvent with ellipsoids at 30%
probability. Hydrogen atoms and minor disordered contribution of the solvent
molecule omitted for clarity.

Figure 2. Packing diagram and strand segment of the title compound.
;
_publ_section_exptl_prep
;
The title compound can be synthesized quantitatively using litherature methods
(Herberhold et al., 2006) modified with the appropriate phosphine and
with thf reaction solvent. X-ray quality crystals were generated from a
saturated solution in methylene chloride layered with hexanes. ³¹P{¹H} NMR
(CDCl₃): δ XX.XX.
;
_publ_section_exptl_refinement
;
The cocrystallized methylene chloride molecule was located disordered in two
positions. The C---Cl and Cl...Cl distances were restrained to be similar in
the disordered contributions. Atomic displacement parameters were constrained
to be equal in the chemically equivalent atomic positions. The solvent
molecule was restrained from clost contact to the polymer. The site
occupancies refined to 88:12.
;
#==============================================================================
_publ_manuscript_text
# Used for convenience to store draft or replaced versions
# of the abstract, comment etc.
# Its contents will not be output
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;

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


  
data_xray007 

_audit_update_record
;
2007-05-15 # Formatted by publCIF
;
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 catena-(bis(μ₂-cyano)-bis(cyclohexyldiphenylphosphine)-di-silver(I))
methylene chloride solvate 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          
 'C38 H42 Ag2 N2 P2, C H2 Cl2' 
_chemical_formula_sum 
 'C39 H44 Ag2 Cl2 N2 P2' 
_chemical_formula_weight          889.34 
  
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' 
 'N'  'N'   0.0061   0.0033 
 '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' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'P 1 21 1'
_symmetry_space_group_name_Hall   'p 2yb' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
  
_cell_length_a                    10.0007(12) 
_cell_length_b                    14.7062(18) 
_cell_length_c                    13.5338(17) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  98.285(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      1969.7(4) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     120(2) 
_cell_measurement_reflns_used     7412 
_cell_measurement_theta_min       2.48 
_cell_measurement_theta_max       28.27 
  
_exptl_crystal_description        plate 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.24 
_exptl_crystal_size_mid           0.11 
_exptl_crystal_size_min           0.09 
_exptl_crystal_size_rad           0.12
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.500 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              900 
_exptl_absorpt_coefficient_mu     1.240 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.7839 
_exptl_absorpt_correction_T_max   0.8987 
_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             22828 
_diffrn_reflns_av_R_equivalents   0.0214 
_diffrn_reflns_av_sigmaI/netI     0.0277 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        19 
_diffrn_reflns_limit_l_min        -17 
_diffrn_reflns_limit_l_max        17 
_diffrn_reflns_theta_min          2.06 
_diffrn_reflns_theta_max          28.27 
_reflns_number_total              9243 
_reflns_number_gt                 8980 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'SMART (Bruker, 2002)' 
_computing_cell_refinement        'SMART (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)+(0.0222P)²+1.1832P] 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), 4318 Friedel pairs'
_refine_ls_abs_structure_Flack    0.087(16) 
_refine_ls_number_reflns          9243 
_refine_ls_number_parameters      434 
_refine_ls_number_restraints      9 
_refine_ls_R_factor_all           0.0263 
_refine_ls_R_factor_gt            0.0250 
_refine_ls_wR_factor_ref          0.0581 
_refine_ls_wR_factor_gt           0.0570 
_refine_ls_goodness_of_fit_ref    1.069 
_refine_ls_restrained_S_all       1.137 
_refine_ls_shift/su_max           0.001 
_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 -0.151855(18) 0.265568(13) 1.178117(14) 0.02008(5) Uani 1 1 d . . . 
Ag2 Ag -0.54560(2) 0.012640(17) 1.06267(2) 0.03267(6) Uani 1 1 d . . . 
P1 P -0.13755(7) 0.32740(5) 1.34766(5) 0.01945(14) Uani 1 1 d . . . 
P2 P 0.03650(7) 0.20108(5) 1.10216(5) 0.01898(14) Uani 1 1 d . . . 
N1 N -0.2515(3) 0.37361(19) 1.0630(2) 0.0306(6) Uani 1 1 d . . . 
N2 N -0.3297(3) 0.1636(2) 1.1481(2) 0.0381(7) Uani 1 1 d . . . 
C1 C -0.1683(3) 0.1585(2) 1.4299(3) 0.0292(7) Uani 1 1 d . . . 
H1A H -0.1765 0.1357 1.3605 0.035 Uiso 1 1 calc R . . 
H1B H -0.0712 0.1601 1.4575 0.035 Uiso 1 1 calc R . . 
C2 C -0.2420(3) 0.0939(2) 1.4921(3) 0.0383(8) Uani 1 1 d . . . 
H2A H -0.2041 0.0319 1.4892 0.046 Uiso 1 1 calc R . . 
H2B H -0.2277 0.1139 1.5627 0.046 Uiso 1 1 calc R . . 
C3 C -0.3929(3) 0.0917(2) 1.4538(3) 0.0353(7) Uani 1 1 d . . . 
H3A H -0.4079 0.0668 1.3851 0.042 Uiso 1 1 calc R . . 
H3B H -0.4391 0.0515 1.4968 0.042 Uiso 1 1 calc R . . 
C4 C -0.4520(3) 0.1871(2) 1.4540(3) 0.0338(7) Uani 1 1 d . . . 
H4A H -0.4441 0.2094 1.5236 0.041 Uiso 1 1 calc R . . 
H4B H -0.5492 0.1849 1.4265 0.041 Uiso 1 1 calc R . . 
C5 C -0.3802(3) 0.2533(2) 1.3925(2) 0.0284(6) Uani 1 1 d . . . 
H5A H -0.4177 0.3151 1.3977 0.034 Uiso 1 1 calc R . . 
H5B H -0.3964 0.2349 1.3213 0.034 Uiso 1 1 calc R . . 
C6 C -0.2263(3) 0.2547(2) 1.4294(2) 0.0229(6) Uani 1 1 d . . . 
H6 H -0.2104 0.2796 1.4989 0.027 Uiso 1 1 calc R . . 
C7 C -0.3316(3) 0.4613(2) 1.2994(2) 0.0259(6) Uani 1 1 d . . . 
H7 H -0.3734 0.4171 1.2538 0.031 Uiso 1 1 calc R . . 
C8 C -0.3922(3) 0.5458(2) 1.3058(2) 0.0293(7) Uani 1 1 d . . . 
H8 H -0.4765 0.5583 1.2660 0.035 Uiso 1 1 calc R . . 
C9 C -0.3306(3) 0.6116(2) 1.3697(2) 0.0268(6) Uani 1 1 d . . . 
H9 H -0.3717 0.6694 1.3736 0.032 Uiso 1 1 calc R . . 
C10 C -0.2078(3) 0.5923(2) 1.4283(2) 0.0285(6) Uani 1 1 d . . . 
H10 H -0.1646 0.6376 1.4717 0.034 Uiso 1 1 calc R . . 
C11 C -0.1483(3) 0.5080(2) 1.4240(2) 0.0243(5) Uani 1 1 d . . . 
H11 H -0.0651 0.4956 1.4651 0.029 Uiso 1 1 calc R . . 
C12 C -0.2093(3) 0.44075(19) 1.3594(2) 0.0214(5) Uani 1 1 d . . . 
C13 C 0.0679(3) 0.3287(2) 1.5178(2) 0.0265(6) Uani 1 1 d . . . 
H13 H -0.0006 0.3168 1.5579 0.032 Uiso 1 1 calc R . . 
C14 C 0.2023(3) 0.3373(2) 1.5623(3) 0.0332(7) Uani 1 1 d . . . 
H14 H 0.2248 0.3307 1.6325 0.040 Uiso 1 1 calc R . . 
C15 C 0.3022(3) 0.3551(2) 1.5052(3) 0.0353(8) Uani 1 1 d . . . 
H15 H 0.3933 0.3608 1.5360 0.042 Uiso 1 1 calc R . . 
C16 C 0.2703(3) 0.3647(2) 1.4030(3) 0.0364(8) Uani 1 1 d . . . 
H16 H 0.3393 0.3773 1.3635 0.044 Uiso 1 1 calc R . . 
C17 C 0.1368(3) 0.3560(2) 1.3580(2) 0.0282(6) Uani 1 1 d . . . 
H17 H 0.1154 0.3626 1.2877 0.034 Uiso 1 1 calc R . . 
C18 C 0.0341(3) 0.33775(19) 1.4142(2) 0.0225(6) Uani 1 1 d . . . 
C19 C 0.1764(3) 0.1125(2) 1.2704(2) 0.0253(6) Uani 1 1 d . . . 
H19A H 0.1028 0.1288 1.3089 0.030 Uiso 1 1 calc R . . 
H19B H 0.2425 0.1630 1.2764 0.030 Uiso 1 1 calc R . . 
C20 C 0.2459(3) 0.0248(2) 1.3127(2) 0.0295(7) Uani 1 1 d . . . 
H20A H 0.3219 0.0104 1.2759 0.035 Uiso 1 1 calc R . . 
H20B H 0.2831 0.0342 1.3838 0.035 Uiso 1 1 calc R . . 
C21 C 0.1478(4) -0.0542(2) 1.3039(3) 0.0370(8) Uani 1 1 d . . . 
H21A H 0.0756 -0.0420 1.3451 0.044 Uiso 1 1 calc R . . 
H21B H 0.1958 -0.1102 1.3294 0.044 Uiso 1 1 calc R . . 
C22 C 0.0849(4) -0.0682(2) 1.1950(3) 0.0343(7) Uani 1 1 d . . . 
H22A H 0.1562 -0.0869 1.1554 0.041 Uiso 1 1 calc R . . 
H22B H 0.0173 -0.1177 1.1913 0.041 Uiso 1 1 calc R . . 
C23 C 0.0167(3) 0.0185(2) 1.1501(2) 0.0290(6) Uani 1 1 d . . . 
H23A H -0.0610 0.0338 1.1849 0.035 Uiso 1 1 calc R . . 
H23B H -0.0179 0.0085 1.0787 0.035 Uiso 1 1 calc R . . 
C24 C 0.1184(3) 0.09822(18) 1.1606(2) 0.0206(5) Uani 1 1 d . . . 
H24 H 0.1947 0.0817 1.1237 0.025 Uiso 1 1 calc R . . 
C25 C 0.0990(4) 0.1231(3) 0.9238(2) 0.0396(8) Uani 1 1 d . . . 
H25 H 0.1816 0.1047 0.9623 0.047 Uiso 1 1 calc R . . 
C26 C 0.0742(4) 0.1020(3) 0.8223(3) 0.0461(10) Uani 1 1 d . . . 
H26 H 0.1388 0.0685 0.7921 0.055 Uiso 1 1 calc R . . 
C27 C -0.0444(4) 0.1299(3) 0.7663(3) 0.0423(9) Uani 1 1 d . . . 
H27 H -0.0616 0.1156 0.6971 0.051 Uiso 1 1 calc R . . 
C28 C -0.1379(4) 0.1781(3) 0.8097(3) 0.0391(8) Uani 1 1 d . . . 
H28 H -0.2186 0.1981 0.7699 0.047 Uiso 1 1 calc R . . 
C29 C -0.1158(3) 0.1980(2) 0.9115(2) 0.0307(7) Uani 1 1 d . . . 
H29 H -0.1823 0.2299 0.9413 0.037 Uiso 1 1 calc R . . 
C30 C 0.0041(3) 0.1710(2) 0.9694(2) 0.0237(6) Uani 1 1 d . . . 
C31 C 0.1320(3) 0.3762(2) 1.0905(2) 0.0247(6) Uani 1 1 d . . . 
H31 H 0.0388 0.3915 1.0792 0.030 Uiso 1 1 calc R . . 
C32 C 0.2284(3) 0.4443(2) 1.0936(2) 0.0280(6) Uani 1 1 d . . . 
H32 H 0.2010 0.5060 1.0844 0.034 Uiso 1 1 calc R . . 
C33 C 0.3647(3) 0.4227(2) 1.1101(2) 0.0287(6) Uani 1 1 d . . . 
H33 H 0.4306 0.4695 1.1133 0.034 Uiso 1 1 calc R . . 
C34 C 0.4048(3) 0.3323(2) 1.1220(2) 0.0271(6) Uani 1 1 d . . . 
H34 H 0.4982 0.3173 1.1327 0.033 Uiso 1 1 calc R . . 
C35 C 0.3083(3) 0.2643(3) 1.11829(19) 0.0238(5) Uani 1 1 d . . . 
H35 H 0.3362 0.2026 1.1256 0.029 Uiso 1 1 calc R . . 
C36 C 0.1709(3) 0.28510(18) 1.1039(2) 0.0198(5) Uani 1 1 d . . . 
C37 C -0.3189(3) 0.4236(2) 1.0136(2) 0.0283(6) Uani 1 1 d . . . 
C38 C -0.4078(3) 0.1074(2) 1.1226(3) 0.0354(8) Uani 1 1 d D . . 
C39 C -0.5746(6) 0.2741(4) 0.8594(5) 0.0537(12) Uani 0.880(2) 1 d PD A 1 
H39A H -0.6066 0.2109 0.8460 0.064 Uiso 0.880(2) 1 calc PR A 1 
H39B H -0.5223 0.2760 0.9273 0.064 Uiso 0.880(2) 1 calc PR A 1 
Cl1 Cl -0.46825(14) 0.30626(12) 0.77027(10) 0.0624(4) Uani 0.880(2) 1 d PD A 1 
Cl2 Cl -0.71293(14) 0.34665(12) 0.85379(9) 0.0662(4) Uani 0.880(2) 1 d PD A 1 
C40 C -0.617(4) 0.292(3) 0.852(4) 0.0537(12) Uani 0.120(2) 1 d PD A 2 
H40A H -0.6348 0.3350 0.9051 0.064 Uiso 0.120(2) 1 calc PR A 2 
H40B H -0.7044 0.2710 0.8154 0.064 Uiso 0.120(2) 1 calc PR A 2 
Cl3 Cl -0.5162(11) 0.3441(9) 0.7695(8) 0.0624(4) Uani 0.120(2) 1 d PD A 2 
Cl4 Cl -0.5150(10) 0.1996(8) 0.9019(6) 0.0662(4) Uani 0.120(2) 1 d PD A 2 
  
  
_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 N2 2.317(3) . ? 
Ag1 N1 2.345(3) . ? 
Ag1 P1 2.4532(8) . ? 
Ag1 P2 2.4623(7) . ? 
Ag2 C38 2.044(3) . ? 
Ag2 C37 2.052(3) 2_447 ? 
P1 C18 1.826(3) . ? 
P1 C12 1.831(3) . ? 
P1 C6 1.854(3) . ? 
P2 C36 1.823(3) . ? 
P2 C30 1.833(3) . ? 
P2 C24 1.844(3) . ? 
N1 C37 1.146(4) . ? 
N2 C38 1.155(4) . ? 
C1 C2 1.528(4) . ? 
C1 C6 1.529(4) . ? 
C1 H1A 0.9900 . ? 
C1 H1B 0.9900 . ? 
C2 C3 1.524(5) . ? 
C2 H2A 0.9900 . ? 
C2 H2B 0.9900 . ? 
C3 C4 1.523(5) . ? 
C3 H3A 0.9900 . ? 
C3 H3B 0.9900 . ? 
C4 C5 1.525(4) . ? 
C4 H4A 0.9900 . ? 
C4 H4B 0.9900 . ? 
C5 C6 1.548(4) . ? 
C5 H5A 0.9900 . ? 
C5 H5B 0.9900 . ? 
C6 H6 1.0000 . ? 
C7 C8 1.391(4) . ? 
C7 C12 1.400(4) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.383(4) . ? 
C8 H8 0.9500 . ? 
C9 C10 1.391(4) . ? 
C9 H9 0.9500 . ? 
C10 C11 1.380(4) . ? 
C10 H10 0.9500 . ? 
C11 C12 1.401(4) . ? 
C11 H11 0.9500 . ? 
C13 C14 1.397(4) . ? 
C13 C18 1.401(4) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.372(5) . ? 
C14 H14 0.9500 . ? 
C15 C16 1.382(5) . ? 
C15 H15 0.9500 . ? 
C16 C17 1.391(4) . ? 
C16 H16 0.9500 . ? 
C17 C18 1.389(4) . ? 
C17 H17 0.9500 . ? 
C19 C24 1.529(4) . ? 
C19 C20 1.536(4) . ? 
C19 H19A 0.9900 . ? 
C19 H19B 0.9900 . ? 
C20 C21 1.514(5) . ? 
C20 H20A 0.9900 . ? 
C20 H20B 0.9900 . ? 
C21 C22 1.531(5) . ? 
C21 H21A 0.9900 . ? 
C21 H21B 0.9900 . ? 
C22 C23 1.531(5) . ? 
C22 H22A 0.9900 . ? 
C22 H22B 0.9900 . ? 
C23 C24 1.545(4) . ? 
C23 H23A 0.9900 . ? 
C23 H23B 0.9900 . ? 
C24 H24 1.0000 . ? 
C25 C30 1.395(4) . ? 
C25 C26 1.395(5) . ? 
C25 H25 0.9500 . ? 
C26 C27 1.375(5) . ? 
C26 H26 0.9500 . ? 
C27 C28 1.371(5) . ? 
C27 H27 0.9500 . ? 
C28 C29 1.395(5) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.393(4) . ? 
C29 H29 0.9500 . ? 
C31 C32 1.387(4) . ? 
C31 C36 1.399(4) . ? 
C31 H31 0.9500 . ? 
C32 C33 1.386(4) . ? 
C32 H32 0.9500 . ? 
C33 C34 1.391(5) . ? 
C33 H33 0.9500 . ? 
C34 C35 1.386(4) . ? 
C34 H34 0.9500 . ? 
C35 C36 1.394(4) . ? 
C35 H35 0.9500 . ? 
C37 Ag2 2.052(3) 2_457 ? 
C39 Cl2 1.740(5) . ? 
C39 Cl1 1.784(5) . ? 
C39 H39A 0.9900 . ? 
C39 H39B 0.9900 . ? 
C40 Cl4 1.779(18) . ? 
C40 Cl3 1.779(18) . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
  
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 
N2 Ag1 N1 94.59(11) . . ? 
N2 Ag1 P1 110.09(8) . . ? 
N1 Ag1 P1 109.41(7) . . ? 
N2 Ag1 P2 106.97(8) . . ? 
N1 Ag1 P2 105.12(7) . . ? 
P1 Ag1 P2 126.04(2) . . ? 
C38 Ag2 C37 173.26(15) . 2_447 ? 
C18 P1 C12 103.51(13) . . ? 
C18 P1 C6 104.52(13) . . ? 
C12 P1 C6 104.20(13) . . ? 
C18 P1 Ag1 114.59(10) . . ? 
C12 P1 Ag1 116.63(10) . . ? 
C6 P1 Ag1 112.09(10) . . ? 
C36 P2 C30 101.66(13) . . ? 
C36 P2 C24 105.62(13) . . ? 
C30 P2 C24 103.15(13) . . ? 
C36 P2 Ag1 109.90(9) . . ? 
C30 P2 Ag1 117.68(10) . . ? 
C24 P2 Ag1 117.14(9) . . ? 
C37 N1 Ag1 168.8(3) . . ? 
C38 N2 Ag1 169.7(3) . . ? 
C2 C1 C6 111.4(3) . . ? 
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 111.0(3) . . ? 
C3 C2 H2A 109.4 . . ? 
C1 C2 H2A 109.4 . . ? 
C3 C2 H2B 109.4 . . ? 
C1 C2 H2B 109.4 . . ? 
H2A C2 H2B 108.0 . . ? 
C4 C3 C2 110.2(3) . . ? 
C4 C3 H3A 109.6 . . ? 
C2 C3 H3A 109.6 . . ? 
C4 C3 H3B 109.6 . . ? 
C2 C3 H3B 109.6 . . ? 
H3A C3 H3B 108.1 . . ? 
C3 C4 C5 111.9(3) . . ? 
C3 C4 H4A 109.2 . . ? 
C5 C4 H4A 109.2 . . ? 
C3 C4 H4B 109.2 . . ? 
C5 C4 H4B 109.2 . . ? 
H4A C4 H4B 107.9 . . ? 
C4 C5 C6 110.9(3) . . ? 
C4 C5 H5A 109.5 . . ? 
C6 C5 H5A 109.5 . . ? 
C4 C5 H5B 109.5 . . ? 
C6 C5 H5B 109.5 . . ? 
H5A C5 H5B 108.1 . . ? 
C1 C6 C5 110.3(2) . . ? 
C1 C6 P1 108.8(2) . . ? 
C5 C6 P1 110.75(19) . . ? 
C1 C6 H6 109.0 . . ? 
C5 C6 H6 109.0 . . ? 
P1 C6 H6 109.0 . . ? 
C8 C7 C12 120.6(3) . . ? 
C8 C7 H7 119.7 . . ? 
C12 C7 H7 119.7 . . ? 
C9 C8 C7 120.3(3) . . ? 
C9 C8 H8 119.8 . . ? 
C7 C8 H8 119.8 . . ? 
C8 C9 C10 119.4(3) . . ? 
C8 C9 H9 120.3 . . ? 
C10 C9 H9 120.3 . . ? 
C11 C10 C9 120.6(3) . . ? 
C11 C10 H10 119.7 . . ? 
C9 C10 H10 119.7 . . ? 
C10 C11 C12 120.6(3) . . ? 
C10 C11 H11 119.7 . . ? 
C12 C11 H11 119.7 . . ? 
C7 C12 C11 118.4(3) . . ? 
C7 C12 P1 117.8(2) . . ? 
C11 C12 P1 123.8(2) . . ? 
C14 C13 C18 120.1(3) . . ? 
C14 C13 H13 120.0 . . ? 
C18 C13 H13 120.0 . . ? 
C15 C14 C13 120.5(3) . . ? 
C15 C14 H14 119.7 . . ? 
C13 C14 H14 119.7 . . ? 
C14 C15 C16 120.1(3) . . ? 
C14 C15 H15 119.9 . . ? 
C16 C15 H15 119.9 . . ? 
C15 C16 C17 119.8(3) . . ? 
C15 C16 H16 120.1 . . ? 
C17 C16 H16 120.1 . . ? 
C18 C17 C16 121.2(3) . . ? 
C18 C17 H17 119.4 . . ? 
C16 C17 H17 119.4 . . ? 
C17 C18 C13 118.4(3) . . ? 
C17 C18 P1 117.6(2) . . ? 
C13 C18 P1 124.1(2) . . ? 
C24 C19 C20 109.5(2) . . ? 
C24 C19 H19A 109.8 . . ? 
C20 C19 H19A 109.8 . . ? 
C24 C19 H19B 109.8 . . ? 
C20 C19 H19B 109.8 . . ? 
H19A C19 H19B 108.2 . . ? 
C21 C20 C19 111.2(3) . . ? 
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 . . ? 
C20 C21 C22 110.5(3) . . ? 
C20 C21 H21A 109.5 . . ? 
C22 C21 H21A 109.5 . . ? 
C20 C21 H21B 109.5 . . ? 
C22 C21 H21B 109.5 . . ? 
H21A C21 H21B 108.1 . . ? 
C23 C22 C21 111.5(3) . . ? 
C23 C22 H22A 109.3 . . ? 
C21 C22 H22A 109.3 . . ? 
C23 C22 H22B 109.3 . . ? 
C21 C22 H22B 109.3 . . ? 
H22A C22 H22B 108.0 . . ? 
C22 C23 C24 110.2(2) . . ? 
C22 C23 H23A 109.6 . . ? 
C24 C23 H23A 109.6 . . ? 
C22 C23 H23B 109.6 . . ? 
C24 C23 H23B 109.6 . . ? 
H23A C23 H23B 108.1 . . ? 
C19 C24 C23 110.2(2) . . ? 
C19 C24 P2 112.76(19) . . ? 
C23 C24 P2 109.7(2) . . ? 
C19 C24 H24 108.0 . . ? 
C23 C24 H24 108.0 . . ? 
P2 C24 H24 108.0 . . ? 
C30 C25 C26 120.9(3) . . ? 
C30 C25 H25 119.6 . . ? 
C26 C25 H25 119.6 . . ? 
C27 C26 C25 119.5(3) . . ? 
C27 C26 H26 120.2 . . ? 
C25 C26 H26 120.2 . . ? 
C28 C27 C26 120.4(3) . . ? 
C28 C27 H27 119.8 . . ? 
C26 C27 H27 119.8 . . ? 
C27 C28 C29 120.7(3) . . ? 
C27 C28 H28 119.6 . . ? 
C29 C28 H28 119.6 . . ? 
C30 C29 C28 119.8(3) . . ? 
C30 C29 H29 120.1 . . ? 
C28 C29 H29 120.1 . . ? 
C29 C30 C25 118.7(3) . . ? 
C29 C30 P2 119.9(2) . . ? 
C25 C30 P2 121.4(2) . . ? 
C32 C31 C36 120.6(3) . . ? 
C32 C31 H31 119.7 . . ? 
C36 C31 H31 119.7 . . ? 
C33 C32 C31 120.1(3) . . ? 
C33 C32 H32 119.9 . . ? 
C31 C32 H32 119.9 . . ? 
C32 C33 C34 119.9(3) . . ? 
C32 C33 H33 120.0 . . ? 
C34 C33 H33 120.0 . . ? 
C35 C34 C33 119.9(3) . . ? 
C35 C34 H34 120.1 . . ? 
C33 C34 H34 120.1 . . ? 
C34 C35 C36 120.9(3) . . ? 
C34 C35 H35 119.5 . . ? 
C36 C35 H35 119.5 . . ? 
C35 C36 C31 118.6(3) . . ? 
C35 C36 P2 124.3(2) . . ? 
C31 C36 P2 117.2(2) . . ? 
N1 C37 Ag2 173.3(3) . 2_457 ? 
N2 C38 Ag2 174.1(4) . . ? 
Cl2 C39 Cl1 110.8(3) . . ? 
Cl2 C39 H39A 109.5 . . ? 
Cl1 C39 H39A 109.5 . . ? 
Cl2 C39 H39B 109.5 . . ? 
Cl1 C39 H39B 109.5 . . ? 
H39A C39 H39B 108.1 . . ? 
Cl4 C40 Cl3 102.7(13) . . ? 
Cl4 C40 H40A 111.2 . . ? 
Cl3 C40 H40A 111.2 . . ? 
Cl4 C40 H40B 111.2 . . ? 
Cl3 C40 H40B 111.2 . . ? 
H40A C40 H40B 109.1 . . ? 
  
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 
N2 Ag1 P1 C18 138.62(13) . . . . ? 
N1 Ag1 P1 C18 -118.72(13) . . . . ? 
P2 Ag1 P1 C18 8.04(11) . . . . ? 
N2 Ag1 P1 C12 -100.26(14) . . . . ? 
N1 Ag1 P1 C12 2.41(13) . . . . ? 
P2 Ag1 P1 C12 129.17(11) . . . . ? 
N2 Ag1 P1 C6 19.72(13) . . . . ? 
N1 Ag1 P1 C6 122.38(12) . . . . ? 
P2 Ag1 P1 C6 -110.86(10) . . . . ? 
N2 Ag1 P2 C36 170.61(13) . . . . ? 
N1 Ag1 P2 C36 70.87(12) . . . . ? 
P1 Ag1 P2 C36 -57.61(10) . . . . ? 
N2 Ag1 P2 C30 54.98(14) . . . . ? 
N1 Ag1 P2 C30 -44.76(13) . . . . ? 
P1 Ag1 P2 C30 -173.25(11) . . . . ? 
N2 Ag1 P2 C24 -68.90(14) . . . . ? 
N1 Ag1 P2 C24 -168.64(13) . . . . ? 
P1 Ag1 P2 C24 62.87(11) . . . . ? 
N2 Ag1 N1 C37 44.9(14) . . . . ? 
P1 Ag1 N1 C37 -68.3(14) . . . . ? 
P2 Ag1 N1 C37 153.9(14) . . . . ? 
N1 Ag1 N2 C38 91.0(18) . . . . ? 
P1 Ag1 N2 C38 -156.4(17) . . . . ? 
P2 Ag1 N2 C38 -16.4(18) . . . . ? 
C6 C1 C2 C3 57.4(4) . . . . ? 
C1 C2 C3 C4 -56.9(4) . . . . ? 
C2 C3 C4 C5 56.8(4) . . . . ? 
C3 C4 C5 C6 -55.8(4) . . . . ? 
C2 C1 C6 C5 -55.6(3) . . . . ? 
C2 C1 C6 P1 -177.3(2) . . . . ? 
C4 C5 C6 C1 54.6(3) . . . . ? 
C4 C5 C6 P1 175.0(2) . . . . ? 
C18 P1 C6 C1 -68.6(2) . . . . ? 
C12 P1 C6 C1 -176.9(2) . . . . ? 
Ag1 P1 C6 C1 56.1(2) . . . . ? 
C18 P1 C6 C5 170.0(2) . . . . ? 
C12 P1 C6 C5 61.7(2) . . . . ? 
Ag1 P1 C6 C5 -65.3(2) . . . . ? 
C12 C7 C8 C9 1.8(5) . . . . ? 
C7 C8 C9 C10 -0.5(5) . . . . ? 
C8 C9 C10 C11 -0.8(5) . . . . ? 
C9 C10 C11 C12 1.0(5) . . . . ? 
C8 C7 C12 C11 -1.6(4) . . . . ? 
C8 C7 C12 P1 179.1(2) . . . . ? 
C10 C11 C12 C7 0.3(4) . . . . ? 
C10 C11 C12 P1 179.5(2) . . . . ? 
C18 P1 C12 C7 167.4(2) . . . . ? 
C6 P1 C12 C7 -83.5(3) . . . . ? 
Ag1 P1 C12 C7 40.6(3) . . . . ? 
C18 P1 C12 C11 -11.8(3) . . . . ? 
C6 P1 C12 C11 97.3(3) . . . . ? 
Ag1 P1 C12 C11 -138.6(2) . . . . ? 
C18 C13 C14 C15 0.4(5) . . . . ? 
C13 C14 C15 C16 0.0(5) . . . . ? 
C14 C15 C16 C17 -0.2(5) . . . . ? 
C15 C16 C17 C18 0.1(5) . . . . ? 
C16 C17 C18 C13 0.3(5) . . . . ? 
C16 C17 C18 P1 -179.9(3) . . . . ? 
C14 C13 C18 C17 -0.6(4) . . . . ? 
C14 C13 C18 P1 179.7(2) . . . . ? 
C12 P1 C18 C17 -96.2(2) . . . . ? 
C6 P1 C18 C17 154.9(2) . . . . ? 
Ag1 P1 C18 C17 31.8(3) . . . . ? 
C12 P1 C18 C13 83.5(3) . . . . ? 
C6 P1 C18 C13 -25.3(3) . . . . ? 
Ag1 P1 C18 C13 -148.4(2) . . . . ? 
C24 C19 C20 C21 -58.9(3) . . . . ? 
C19 C20 C21 C22 57.2(4) . . . . ? 
C20 C21 C22 C23 -55.7(4) . . . . ? 
C21 C22 C23 C24 55.7(4) . . . . ? 
C20 C19 C24 C23 58.5(3) . . . . ? 
C20 C19 C24 P2 -178.5(2) . . . . ? 
C22 C23 C24 C19 -57.3(3) . . . . ? 
C22 C23 C24 P2 177.9(2) . . . . ? 
C36 P2 C24 C19 64.3(2) . . . . ? 
C30 P2 C24 C19 170.6(2) . . . . ? 
Ag1 P2 C24 C19 -58.4(2) . . . . ? 
C36 P2 C24 C23 -172.47(19) . . . . ? 
C30 P2 C24 C23 -66.2(2) . . . . ? 
Ag1 P2 C24 C23 64.8(2) . . . . ? 
C30 C25 C26 C27 1.0(7) . . . . ? 
C25 C26 C27 C28 -0.1(7) . . . . ? 
C26 C27 C28 C29 -1.4(6) . . . . ? 
C27 C28 C29 C30 1.9(6) . . . . ? 
C28 C29 C30 C25 -0.9(5) . . . . ? 
C28 C29 C30 P2 177.5(3) . . . . ? 
C26 C25 C30 C29 -0.5(6) . . . . ? 
C26 C25 C30 P2 -178.9(3) . . . . ? 
C36 P2 C30 C29 -109.8(3) . . . . ? 
C24 P2 C30 C29 141.0(3) . . . . ? 
Ag1 P2 C30 C29 10.3(3) . . . . ? 
C36 P2 C30 C25 68.6(3) . . . . ? 
C24 P2 C30 C25 -40.7(3) . . . . ? 
Ag1 P2 C30 C25 -171.3(3) . . . . ? 
C36 C31 C32 C33 0.0(5) . . . . ? 
C31 C32 C33 C34 1.0(5) . . . . ? 
C32 C33 C34 C35 -0.6(5) . . . . ? 
C33 C34 C35 C36 -0.8(4) . . . . ? 
C34 C35 C36 C31 1.8(4) . . . . ? 
C34 C35 C36 P2 -177.8(2) . . . . ? 
C32 C31 C36 C35 -1.4(4) . . . . ? 
C32 C31 C36 P2 178.3(2) . . . . ? 
C30 P2 C36 C35 -90.1(2) . . . . ? 
C24 P2 C36 C35 17.3(3) . . . . ? 
Ag1 P2 C36 C35 144.5(2) . . . . ? 
C30 P2 C36 C31 90.3(2) . . . . ? 
C24 P2 C36 C31 -162.3(2) . . . . ? 
Ag1 P2 C36 C31 -35.1(2) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.971 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.869 
_refine_diff_density_min   -0.534 
_refine_diff_density_rms    0.065 
