data_mils028
_audit_creation_date               2026-04-07
_audit_creation_method
;
Olex2 1.5
(compiled 2026.04.07 svn.r39635298 for OlexSys, GUI svn.r7533)
;
_shelx_SHELXL_version_number       '2019/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C86 H74 Co N6, C16 H32 Li O4'
_chemical_formula_sum              'C102 H106 Co Li N6 O4'
_chemical_formula_weight           1545.79
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 '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'
 'Li' 'Li' 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Co' 'Co' -2.3653 3.6143
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     12.9852(3)
_cell_length_b                     13.0369(3)
_cell_length_c                     25.3459(6)
_cell_angle_alpha                  101.9050(10)
_cell_angle_beta                   90.0310(10)
_cell_angle_gamma                  90.0230(10)
_cell_volume                       4198.43(17)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9614
_cell_measurement_temperature      200.00
_cell_measurement_theta_max        74.511
_cell_measurement_theta_min        3.404
_shelx_estimated_absorpt_T_max     0.789
_shelx_estimated_absorpt_T_min     0.643
_exptl_absorpt_coefficient_mu      2.044
_exptl_absorpt_correction_T_max    0.7538
_exptl_absorpt_correction_T_min    0.6220
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1074 before and 0.0603 after correction.
The Ratio of minimum to maximum transmission is 0.8252.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              orange
_exptl_crystal_colour_primary      orange
_exptl_crystal_density_diffrn      1.223
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               1644
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 -3.00 0.00 -1.00 0.0470
 -2.00 1.00 0.00 0.0230
 -2.00 1.00 3.00 0.0600
 -2.00 3.00 0.00 0.0250
 -2.00 -3.00 -1.00 0.0980
 -1.00 0.00 2.00 0.0930
 -1.00 0.00 -3.00 0.0730
 -1.00 3.00 -1.00 0.0280
 0.00 0.00 -1.00 0.0790
 0.00 0.00 1.00 0.1000
 0.00 3.00 -1.00 0.0450
 1.00 -3.00 1.00 0.0810
 1.00 -2.00 -2.00 0.0890
 2.00 -1.00 0.00 0.0820
 2.00 -1.00 -3.00 0.0980
 2.00 2.00 -3.00 0.0850
 2.00 3.00 1.00 0.0790
 2.00 2.00 3.00 0.0900
 2.00 1.00 -1.00 0.0850
 3.00 0.00 -1.00 0.0770
 3.00 -3.00 -1.00 0.0600

_exptl_crystal_size_max            0.237
_exptl_crystal_size_mid            0.187
_exptl_crystal_size_min            0.122
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0422
_diffrn_reflns_av_unetI/netI       0.0378
_diffrn_reflns_Laue_measured_fraction_full  0.983
_diffrn_reflns_Laue_measured_fraction_max  0.952
_diffrn_reflns_limit_h_max         16
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         16
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         31
_diffrn_reflns_limit_l_min         -27
_diffrn_reflns_number              65963
_diffrn_reflns_point_group_measured_fraction_full  0.983
_diffrn_reflns_point_group_measured_fraction_max  0.952
_diffrn_reflns_theta_full          67.679
_diffrn_reflns_theta_max           74.624
_diffrn_reflns_theta_min           1.781
_diffrn_ambient_temperature        200.00
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.983
_diffrn_measured_fraction_theta_max  0.952
_diffrn_measurement_device_type    'Bruker Venture Photon III'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_diffrn_source_current             1.2
_diffrn_source_power               0.06
_diffrn_source_voltage             50.0
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  14330
_reflns_number_total               16385
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.42 (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.42 (?, 2016)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.223
_refine_diff_density_min           -0.422
_refine_diff_density_rms           0.045
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.050
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1039
_refine_ls_number_reflns           16385
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0563
_refine_ls_R_factor_gt             0.0487
_refine_ls_restrained_S_all        1.050
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0502P)²+2.1048P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1186
_refine_ls_wR_factor_ref           0.1232
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C87(H87A,H87B), C88(H88A,H88B), C89(H89A,H89B), C90(H90A,H90B), C91(H91A,
 H91B), C92(H92A,H92B), C93(H93A,H93B), C94(H94A,H94B), C95(H95A,H95B),
 C96(H96A,H96B), C97(H97A,H97B), C98(H98A,H98B), C99(H99A,H99B), C100(H10A,
 H10B), C101(H10C,H10D), C102(H10E,H10F)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C6(H6), C7(H7), C8(H8), C12(H12), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C28(H28),
  C30(H30), C37(H37), C39(H39), C45(H45), C49(H49), C50(H50), C51(H51),
 C55(H55), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62), C64(H64), C65(H65),
  C66(H66), C67(H67), C68(H68), C71(H71), C73(H73), C80(H80), C82(H82)
2.c Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C41(H41A,H41B,
 H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C75(H75A,H75B,H75C), C76(H76A,
 H76B,H76C), C77(H77A,H77B,H77C), C84(H84A,H84B,H84C), C85(H85A,H85B,H85C),
 C86(H86A,H86B,H86C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
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_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Co1 Co 0.60124(2) 0.50204(2) 0.25013(2) 0.02702(8) Uani 1 1 d . . . . .
 N1 N 0.51563(12) 0.38241(12) 0.25919(6) 0.0300(3) Uani 1 1 d . . . . .
 N2 N 0.59853(12) 0.53010(12) 0.32602(6) 0.0283(3) Uani 1 1 d . . . . .
 N3 N 0.68932(12) 0.62655(12) 0.26289(6) 0.0302(3) Uani 1 1 d . . . . .
 N4 N 0.48003(12) 0.58781(12) 0.24098(6) 0.0296(3) Uani 1 1 d . . . . .
 N5 N 0.59825(12) 0.47330(12) 0.17415(6) 0.0285(3) Uani 1 1 d . . . . .
 N6 N 0.72317(12) 0.41249(12) 0.23745(6) 0.0303(3) Uani 1 1 d . . . . .
 C1 C 0.47473(15) 0.29156(15) 0.22982(8) 0.0329(4) Uani 1 1 d . . . . .
 C2 C 0.42894(16) 0.23495(16) 0.26455(8) 0.0363(4) Uani 1 1 d . . . . .
 H2 H 0.395768 0.168924 0.254025 0.044 Uiso 1 1 calc R U . . .
 C3 C 0.44000(15) 0.29171(15) 0.31767(8) 0.0331(4) Uani 1 1 d . . . . .
 C4 C 0.49466(14) 0.38228(15) 0.31298(7) 0.0303(4) Uani 1 1 d . . . . .
 C5 C 0.54235(14) 0.46681(15) 0.35105(7) 0.0307(4) Uani 1 1 d . . . . .
 C6 C 0.53772(16) 0.48731(17) 0.40704(8) 0.0378(5) Uani 1 1 d . . . . .
 H6 H 0.501915 0.441488 0.425336 0.045 Uiso 1 1 calc R U . . .
 C7 C 0.58661(16) 0.57628(17) 0.43553(8) 0.0396(5) Uani 1 1 d . . . . .
 H7 H 0.582509 0.592414 0.473775 0.048 Uiso 1 1 calc R U . . .
 C8 C 0.64113(16) 0.64180(16) 0.40936(8) 0.0374(5) Uani 1 1 d . . . . .
 H8 H 0.673110 0.703334 0.429237 0.045 Uiso 1 1 calc R U . . .
 C9 C 0.64853(14) 0.61629(15) 0.35328(7) 0.0310(4) Uani 1 1 d . . . . .
 C10 C 0.70227(15) 0.67010(15) 0.31718(7) 0.0313(4) Uani 1 1 d . . . . .
 C11 C 0.76174(15) 0.76190(16) 0.32320(8) 0.0356(4) Uani 1 1 d . . . . .
 C12 C 0.78504(16) 0.77268(16) 0.27061(8) 0.0363(4) Uani 1 1 d . . . . .
 H12 H 0.824114 0.827861 0.261197 0.044 Uiso 1 1 calc R U . . .
 C13 C 0.74117(15) 0.68869(15) 0.23440(8) 0.0329(4) Uani 1 1 d . . . . .
 C14 C 0.40341(15) 0.25273(16) 0.36489(8) 0.0345(4) Uani 1 1 d . . . . .
 C15 C 0.34504(16) 0.31222(17) 0.40640(8) 0.0393(5) Uani 1 1 d . . . . .
 H15 H 0.331982 0.383926 0.406433 0.047 Uiso 1 1 calc R U . . .
 C16 C 0.30578(18) 0.2684(2) 0.44759(9) 0.0460(5) Uani 1 1 d . . . . .
 H16 H 0.265886 0.310211 0.475327 0.055 Uiso 1 1 calc R U . . .
 C17 C 0.3241(2) 0.1647(2) 0.44865(9) 0.0523(6) Uani 1 1 d . . . . .
 H17 H 0.297160 0.134947 0.476959 0.063 Uiso 1 1 calc R U . . .
 C18 C 0.3819(2) 0.10475(19) 0.40822(10) 0.0521(6) Uani 1 1 d . . . . .
 H18 H 0.394865 0.033252 0.408758 0.063 Uiso 1 1 calc R U . . .
 C19 C 0.42144(18) 0.14743(17) 0.36679(9) 0.0432(5) Uani 1 1 d . . . . .
 H19 H 0.461285 0.104872 0.339285 0.052 Uiso 1 1 calc R U . . .
 C20 C 0.79679(16) 0.83620(17) 0.37212(8) 0.0392(5) Uani 1 1 d . . . . .
 C21 C 0.79018(19) 0.94409(18) 0.37379(10) 0.0502(6) Uani 1 1 d . . . . .
 H21 H 0.759638 0.968042 0.344471 0.060 Uiso 1 1 calc R U . . .
 C22 C 0.8276(2) 1.0166(2) 0.41762(12) 0.0640(8) Uani 1 1 d . . . . .
 H22 H 0.822378 1.089418 0.418047 0.077 Uiso 1 1 calc R U . . .
 C23 C 0.8720(2) 0.9834(2) 0.46037(11) 0.0686(9) Uani 1 1 d . . . . .
 H23 H 0.897592 1.033011 0.490317 0.082 Uiso 1 1 calc R U . . .
 C24 C 0.8792(2) 0.8778(2) 0.45953(10) 0.0615(7) Uani 1 1 d . . . . .
 H24 H 0.909720 0.854704 0.489112 0.074 Uiso 1 1 calc R U . . .
 C25 C 0.84205(17) 0.8042(2) 0.41571(9) 0.0467(5) Uani 1 1 d . . . . .
 H25 H 0.847782 0.731514 0.415670 0.056 Uiso 1 1 calc R U . . .
 C26 C 0.47703(16) 0.25536(15) 0.17019(8) 0.0349(4) Uani 1 1 d . . . . .
 C27 C 0.39956(17) 0.28677(16) 0.13820(8) 0.0403(5) Uani 1 1 d . . . . .
 C28 C 0.4010(2) 0.24764(18) 0.08290(9) 0.0487(6) Uani 1 1 d . . . . .
 H28 H 0.349252 0.269835 0.061202 0.058 Uiso 1 1 calc R U . . .
 C29 C 0.4750(2) 0.17750(18) 0.05828(9) 0.0488(6) Uani 1 1 d . . . . .
 C30 C 0.54651(18) 0.14268(17) 0.09070(9) 0.0443(5) Uani 1 1 d . . . . .
 H30 H 0.595783 0.091951 0.074613 0.053 Uiso 1 1 calc R U . . .
 C31 C 0.54888(16) 0.17959(16) 0.14648(8) 0.0373(5) Uani 1 1 d . . . . .
 C32 C 0.4771(3) 0.1411(2) -0.00250(10) 0.0730(9) Uani 1 1 d . . . . .
 H32A H 0.495262 0.200092 -0.019172 0.109 Uiso 1 1 calc R U . . .
 H32B H 0.408975 0.114322 -0.015222 0.109 Uiso 1 1 calc R U . . .
 H32C H 0.528302 0.085255 -0.012411 0.109 Uiso 1 1 calc R U . . .
 C33 C 0.31391(18) 0.35868(19) 0.16319(10) 0.0510(6) Uani 1 1 d . . . . .
 H33A H 0.259612 0.317468 0.175870 0.076 Uiso 1 1 calc R U . . .
 H33B H 0.285430 0.394973 0.136241 0.076 Uiso 1 1 calc R U . . .
 H33C H 0.341040 0.410345 0.193703 0.076 Uiso 1 1 calc R U . . .
 C34 C 0.62575(18) 0.13516(18) 0.18010(9) 0.0464(5) Uani 1 1 d . . . . .
 H34A H 0.668378 0.191954 0.200337 0.070 Uiso 1 1 calc R U . . .
 H34B H 0.669742 0.084264 0.156531 0.070 Uiso 1 1 calc R U . . .
 H34C H 0.589244 0.100304 0.205331 0.070 Uiso 1 1 calc R U . . .
 C35 C 0.75401(16) 0.66795(16) 0.17475(8) 0.0359(4) Uani 1 1 d . . . . .
 C36 C 0.83647(17) 0.60600(16) 0.15048(8) 0.0385(5) Uani 1 1 d . . . . .
 C37 C 0.84752(19) 0.58711(18) 0.09466(9) 0.0468(5) Uani 1 1 d . . . . .
 H37 H 0.901990 0.543094 0.078392 0.056 Uiso 1 1 calc R U . . .
 C38 C 0.7822(2) 0.6300(2) 0.06220(9) 0.0525(6) Uani 1 1 d . . . . .
 C39 C 0.7050(2) 0.6956(2) 0.08700(10) 0.0530(6) Uani 1 1 d . . . . .
 H39 H 0.660915 0.727935 0.065340 0.064 Uiso 1 1 calc R U . . .
 C40 C 0.68950(17) 0.71614(17) 0.14271(9) 0.0426(5) Uani 1 1 d . . . . .
 C41 C 0.7953(3) 0.6061(3) 0.00143(11) 0.0849(10) Uani 1 1 d . . . . .
 H41A H 0.857147 0.563340 -0.008254 0.127 Uiso 1 1 calc R U . . .
 H41B H 0.802241 0.671862 -0.011262 0.127 Uiso 1 1 calc R U . . .
 H41C H 0.734885 0.567658 -0.015467 0.127 Uiso 1 1 calc R U . . .
 C42 C 0.91496(18) 0.56393(18) 0.18396(9) 0.0452(5) Uani 1 1 d . . . . .
 H42A H 0.952743 0.622344 0.206186 0.068 Uiso 1 1 calc R U . . .
 H42B H 0.963227 0.518404 0.160219 0.068 Uiso 1 1 calc R U . . .
 H42C H 0.880191 0.523568 0.207328 0.068 Uiso 1 1 calc R U . . .
 C43 C 0.60641(19) 0.7911(2) 0.16735(11) 0.0534(6) Uani 1 1 d . . . . .
 H43A H 0.553547 0.753119 0.183215 0.080 Uiso 1 1 calc R U . . .
 H43B H 0.575231 0.823057 0.139411 0.080 Uiso 1 1 calc R U . . .
 H43C H 0.636284 0.846021 0.195484 0.080 Uiso 1 1 calc R U . . .
 C44 C 0.40708(15) 0.64970(15) 0.27056(8) 0.0328(4) Uani 1 1 d . . . . .
 C45 C 0.33345(16) 0.67706(16) 0.23601(8) 0.0370(4) Uani 1 1 d . . . . .
 H45 H 0.273580 0.717928 0.246676 0.044 Uiso 1 1 calc R U . . .
 C46 C 0.36260(15) 0.63413(15) 0.18282(8) 0.0334(4) Uani 1 1 d . . . . .
 C47 C 0.45381(15) 0.57962(15) 0.18720(7) 0.0306(4) Uani 1 1 d . . . . .
 C48 C 0.52124(14) 0.51498(14) 0.14917(7) 0.0304(4) Uani 1 1 d . . . . .
 C49 C 0.51670(16) 0.49333(16) 0.09318(8) 0.0352(4) Uani 1 1 d . . . . .
 H49 H 0.461736 0.519431 0.074985 0.042 Uiso 1 1 calc R U . . .
 C50 C 0.59363(17) 0.43313(16) 0.06448(8) 0.0385(5) Uani 1 1 d . . . . .
 H50 H 0.592658 0.419730 0.026188 0.046 Uiso 1 1 calc R U . . .
 C51 C 0.67212(16) 0.39208(16) 0.09078(8) 0.0357(4) Uani 1 1 d . . . . .
 H51 H 0.725262 0.351548 0.070784 0.043 Uiso 1 1 calc R U . . .
 C52 C 0.67227(14) 0.41084(14) 0.14678(7) 0.0303(4) Uani 1 1 d . . . . .
 C53 C 0.74298(15) 0.37448(15) 0.18307(7) 0.0306(4) Uani 1 1 d . . . . .
 C54 C 0.83404(15) 0.31539(15) 0.17666(8) 0.0337(4) Uani 1 1 d . . . . .
 C55 C 0.87000(15) 0.31919(16) 0.22945(8) 0.0363(4) Uani 1 1 d . . . . .
 H55 H 0.930969 0.286752 0.238758 0.044 Uiso 1 1 calc R U . . .
 C56 C 0.80151(15) 0.37833(15) 0.26584(8) 0.0331(4) Uani 1 1 d . . . . .
 C57 C 0.30203(15) 0.64788(15) 0.13537(8) 0.0343(4) Uani 1 1 d . . . . .
 C58 C 0.34337(17) 0.68866(16) 0.09323(8) 0.0383(5) Uani 1 1 d . . . . .
 H58 H 0.415137 0.702599 0.092690 0.046 Uiso 1 1 calc R U . . .
 C59 C 0.28113(19) 0.70914(18) 0.05207(9) 0.0455(5) Uani 1 1 d . . . . .
 H59 H 0.310625 0.737329 0.023833 0.055 Uiso 1 1 calc R U . . .
 C60 C 0.1769(2) 0.6889(2) 0.05181(9) 0.0526(6) Uani 1 1 d . . . . .
 H60 H 0.134483 0.703038 0.023587 0.063 Uiso 1 1 calc R U . . .
 C61 C 0.13497(19) 0.6481(2) 0.09290(10) 0.0526(6) Uani 1 1 d . . . . .
 H61 H 0.063259 0.633617 0.092859 0.063 Uiso 1 1 calc R U . . .
 C62 C 0.19627(17) 0.62785(18) 0.13430(9) 0.0440(5) Uani 1 1 d . . . . .
 H62 H 0.165936 0.599919 0.162411 0.053 Uiso 1 1 calc R U . . .
 C63 C 0.88812(16) 0.26031(16) 0.12804(8) 0.0373(4) Uani 1 1 d . . . . .
 C64 C 0.99543(18) 0.26810(19) 0.12498(9) 0.0464(5) Uani 1 1 d . . . . .
 H64 H 1.031806 0.312131 0.153476 0.056 Uiso 1 1 calc R U . . .
 C65 C 1.0496(2) 0.2126(2) 0.08104(10) 0.0580(7) Uani 1 1 d . . . . .
 H65 H 1.122398 0.218827 0.079888 0.070 Uiso 1 1 calc R U . . .
 C66 C 0.9987(2) 0.1487(2) 0.03919(10) 0.0623(7) Uani 1 1 d . . . . .
 H66 H 1.036105 0.111011 0.009151 0.075 Uiso 1 1 calc R U . . .
 C67 C 0.8928(2) 0.1397(2) 0.04116(9) 0.0568(7) Uani 1 1 d . . . . .
 H67 H 0.857262 0.095864 0.012288 0.068 Uiso 1 1 calc R U . . .
 C68 C 0.83787(19) 0.19464(17) 0.08526(8) 0.0430(5) Uani 1 1 d . . . . .
 H68 H 0.765141 0.187287 0.086231 0.052 Uiso 1 1 calc R U . . .
 C69 C 0.40808(16) 0.69204(16) 0.32974(8) 0.0360(4) Uani 1 1 d . . . . .
 C70 C 0.34659(17) 0.64720(18) 0.36446(9) 0.0427(5) Uani 1 1 d . . . . .
 C71 C 0.3452(2) 0.6937(2) 0.41940(9) 0.0563(7) Uani 1 1 d . . . . .
 H71 H 0.303697 0.663313 0.442997 0.068 Uiso 1 1 calc R U . . .
 C72 C 0.4017(2) 0.7819(2) 0.44037(10) 0.0595(7) Uani 1 1 d . . . . .
 C73 C 0.45896(19) 0.8266(2) 0.40568(10) 0.0531(6) Uani 1 1 d . . . . .
 H73 H 0.497959 0.887745 0.419779 0.064 Uiso 1 1 calc R U . . .
 C74 C 0.46192(16) 0.78528(17) 0.35034(9) 0.0410(5) Uani 1 1 d . . . . .
 C75 C 0.2802(2) 0.5530(2) 0.34271(11) 0.0538(6) Uani 1 1 d . . . . .
 H75A H 0.242893 0.532339 0.372476 0.081 Uiso 1 1 calc R U . . .
 H75B H 0.323842 0.494763 0.324828 0.081 Uiso 1 1 calc R U . . .
 H75C H 0.230840 0.570525 0.316700 0.081 Uiso 1 1 calc R U . . .
 C76 C 0.3997(3) 0.8277(3) 0.50078(11) 0.0986(13) Uani 1 1 d . . . . .
 H76A H 0.436085 0.780584 0.519954 0.148 Uiso 1 1 calc R U . . .
 H76B H 0.328086 0.835565 0.513193 0.148 Uiso 1 1 calc R U . . .
 H76C H 0.433468 0.896399 0.508012 0.148 Uiso 1 1 calc R U . . .
 C77 C 0.51648(19) 0.84318(19) 0.31339(10) 0.0513(6) Uani 1 1 d . . . . .
 H77A H 0.560830 0.794552 0.288769 0.077 Uiso 1 1 calc R U . . .
 H77B H 0.558616 0.899155 0.334704 0.077 Uiso 1 1 calc R U . . .
 H77C H 0.465719 0.873747 0.292503 0.077 Uiso 1 1 calc R U . . .
 C78 C 0.81225(15) 0.39991(16) 0.32552(8) 0.0355(4) Uani 1 1 d . . . . .
 C79 C 0.87782(16) 0.48064(17) 0.35174(8) 0.0391(5) Uani 1 1 d . . . . .
 C80 C 0.88911(18) 0.49690(19) 0.40767(9) 0.0458(5) Uani 1 1 d . . . . .
 H80 H 0.933399 0.551360 0.425271 0.055 Uiso 1 1 calc R U . . .
 C81 C 0.83842(19) 0.4369(2) 0.43818(9) 0.0501(6) Uani 1 1 d . . . . .
 C82 C 0.77751(18) 0.3546(2) 0.41128(9) 0.0501(6) Uani 1 1 d . . . . .
 H82 H 0.743692 0.310977 0.431585 0.060 Uiso 1 1 calc R U . . .
 C83 C 0.76463(16) 0.33435(18) 0.35567(8) 0.0402(5) Uani 1 1 d . . . . .
 C84 C 0.8484(3) 0.4590(3) 0.49902(10) 0.0759(9) Uani 1 1 d . . . . .
 H84A H 0.781254 0.480038 0.515379 0.114 Uiso 1 1 calc R U . . .
 H84B H 0.898274 0.515552 0.510575 0.114 Uiso 1 1 calc R U . . .
 H84C H 0.871991 0.395568 0.510466 0.114 Uiso 1 1 calc R U . . .
 C85 C 0.93898(18) 0.54706(19) 0.32108(9) 0.0470(5) Uani 1 1 d . . . . .
 H85A H 0.892002 0.590737 0.304921 0.070 Uiso 1 1 calc R U . . .
 H85B H 0.978545 0.501653 0.292584 0.070 Uiso 1 1 calc R U . . .
 H85C H 0.986245 0.592077 0.345771 0.070 Uiso 1 1 calc R U . . .
 C86 C 0.70311(19) 0.23981(19) 0.32846(10) 0.0504(6) Uani 1 1 d . . . . .
 H86A H 0.749920 0.185825 0.309297 0.076 Uiso 1 1 calc R U . . .
 H86B H 0.654823 0.260250 0.302746 0.076 Uiso 1 1 calc R U . . .
 H86C H 0.664664 0.212001 0.355693 0.076 Uiso 1 1 calc R U . . .
 O1 O 0.07056(13) 0.13712(14) 0.28940(7) 0.0596(5) Uani 1 1 d . . . . .
 O2 O -0.02014(13) -0.05116(13) 0.20680(7) 0.0555(4) Uani 1 1 d . . . . .
 O3 O 0.13466(13) -0.09747(14) 0.29228(7) 0.0550(4) Uani 1 1 d . . . . .
 O4 O 0.21555(14) 0.01153(14) 0.20280(7) 0.0580(4) Uani 1 1 d . . . . .
 C87 C -0.0014(2) 0.1498(2) 0.33293(12) 0.0679(8) Uani 1 1 d . . . . .
 H87A H -0.010446 0.083064 0.345260 0.082 Uiso 1 1 calc R U . . .
 H87B H -0.069230 0.172463 0.321589 0.082 Uiso 1 1 calc R U . . .
 C88 C 0.0434(3) 0.2319(3) 0.37686(14) 0.0908(12) Uani 1 1 d . . . . .
 H88A H 0.093503 0.201573 0.398849 0.109 Uiso 1 1 calc R U . . .
 H88B H -0.010756 0.269794 0.400617 0.109 Uiso 1 1 calc R U . . .
 C89 C 0.0961(3) 0.3026(2) 0.34421(16) 0.0875(12) Uani 1 1 d . . . . .
 H89A H 0.046252 0.350967 0.332581 0.105 Uiso 1 1 calc R U . . .
 H89B H 0.151942 0.344062 0.365159 0.105 Uiso 1 1 calc R U . . .
 C90 C 0.1380(2) 0.2263(2) 0.29715(14) 0.0743(9) Uani 1 1 d . . . . .
 H90A H 0.138879 0.257302 0.264624 0.089 Uiso 1 1 calc R U . . .
 H90B H 0.209115 0.205770 0.304579 0.089 Uiso 1 1 calc R U . . .
 C91 C 0.3044(2) -0.0558(2) 0.19364(13) 0.0663(7) Uani 1 1 d . . . . .
 H91A H 0.283212 -0.130323 0.186882 0.080 Uiso 1 1 calc R U . . .
 H91B H 0.350587 -0.041685 0.225409 0.080 Uiso 1 1 calc R U . . .
 C92 C 0.3578(2) -0.0320(2) 0.14537(13) 0.0727(9) Uani 1 1 d . . . . .
 H92A H 0.390751 -0.095421 0.123789 0.087 Uiso 1 1 calc R U . . .
 H92B H 0.410648 0.023234 0.155949 0.087 Uiso 1 1 calc R U . . .
 C93 C 0.2710(3) 0.0056(3) 0.11476(13) 0.0792(9) Uani 1 1 d . . . . .
 H93A H 0.296657 0.050612 0.090566 0.095 Uiso 1 1 calc R U . . .
 H93B H 0.231928 -0.053920 0.093327 0.095 Uiso 1 1 calc R U . . .
 C94 C 0.2071(3) 0.0666(2) 0.15946(12) 0.0692(8) Uani 1 1 d . . . . .
 H94A H 0.233459 0.139121 0.170674 0.083 Uiso 1 1 calc R U . . .
 H94B H 0.134457 0.069461 0.147966 0.083 Uiso 1 1 calc R U . . .
 C95 C 0.2113(2) -0.0647(2) 0.33327(11) 0.0588(7) Uani 1 1 d . . . . .
 H95A H 0.224298 0.011523 0.338423 0.071 Uiso 1 1 calc R U . . .
 H95B H 0.276781 -0.102641 0.323406 0.071 Uiso 1 1 calc R U . . .
 C96 C 0.1673(2) -0.0910(3) 0.38331(11) 0.0682(8) Uani 1 1 d . . . . .
 H96A H 0.121114 -0.034805 0.402103 0.082 Uiso 1 1 calc R U . . .
 H96B H 0.222291 -0.103182 0.408368 0.082 Uiso 1 1 calc R U . . .
 C97 C 0.1081(2) -0.1905(3) 0.36138(13) 0.0727(8) Uani 1 1 d . . . . .
 H97A H 0.153610 -0.252593 0.357128 0.087 Uiso 1 1 calc R U . . .
 H97B H 0.050252 -0.199204 0.385474 0.087 Uiso 1 1 calc R U . . .
 C98 C 0.0698(2) -0.1757(2) 0.30824(12) 0.0659(7) Uani 1 1 d . . . . .
 H98A H 0.073625 -0.242395 0.281316 0.079 Uiso 1 1 calc R U . . .
 H98B H -0.002771 -0.151826 0.311203 0.079 Uiso 1 1 calc R U . . .
 C99 C -0.0058(2) -0.14599(19) 0.16681(11) 0.0584(7) Uani 1 1 d . . . . .
 H99A H -0.041878 -0.205471 0.177477 0.070 Uiso 1 1 calc R U . . .
 H99B H 0.068265 -0.163253 0.161979 0.070 Uiso 1 1 calc R U . . .
 C100 C -0.0507(3) -0.1236(2) 0.11629(11) 0.0690(8) Uani 1 1 d . . . . .
 H10A H -0.074984 -0.188648 0.092072 0.083 Uiso 1 1 calc R U . . .
 H10B H -0.000122 -0.088321 0.096825 0.083 Uiso 1 1 calc R U . . .
 C101 C -0.1395(3) -0.0519(2) 0.13708(13) 0.0779(9) Uani 1 1 d . . . . .
 H10C H -0.153944 -0.003388 0.112651 0.093 Uiso 1 1 calc R U . . .
 H10D H -0.202481 -0.092801 0.140537 0.093 Uiso 1 1 calc R U . . .
 C102 C -0.1043(2) 0.0067(2) 0.19073(12) 0.0690(8) Uani 1 1 d . . . . .
 H10E H -0.081707 0.078097 0.188366 0.083 Uiso 1 1 calc R U . . .
 H10F H -0.161066 0.012676 0.217277 0.083 Uiso 1 1 calc R U . . .
 Li1 Li 0.0991(3) -0.0001(3) 0.24814(16) 0.0499(9) 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
 Co1 N1 1.9667(16) . ?
 Co1 N2 1.8827(15) . ?
 Co1 N3 1.9568(16) . ?
 Co1 N4 1.9721(16) . ?
 Co1 N5 1.8848(15) . ?
 Co1 N6 1.9547(16) . ?
 N1 C1 1.369(2) . ?
 N1 C4 1.391(2) . ?
 N2 C5 1.353(2) . ?
 N2 C9 1.357(2) . ?
 N3 C10 1.386(2) . ?
 N3 C13 1.368(2) . ?
 N4 C44 1.365(2) . ?
 N4 C47 1.387(2) . ?
 N5 C48 1.356(2) . ?
 N5 C52 1.355(2) . ?
 N6 C53 1.389(2) . ?
 N6 C56 1.372(2) . ?
 C1 C2 1.393(3) . ?
 C1 C26 1.488(3) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.403(3) . ?
 C3 C4 1.403(3) . ?
 C3 C14 1.472(3) . ?
 C4 C5 1.445(2) . ?
 C5 C6 1.390(3) . ?
 C6 H6 0.9500 . ?
 C6 C7 1.387(3) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.380(3) . ?
 C8 H8 0.9500 . ?
 C8 C9 1.395(3) . ?
 C9 C10 1.443(3) . ?
 C10 C11 1.406(3) . ?
 C11 C12 1.402(3) . ?
 C11 C20 1.479(3) . ?
 C12 H12 0.9500 . ?
 C12 C13 1.396(3) . ?
 C13 C35 1.489(3) . ?
 C14 C15 1.395(3) . ?
 C14 C19 1.403(3) . ?
 C15 H15 0.9500 . ?
 C15 C16 1.387(3) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.378(4) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.377(4) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.385(3) . ?
 C19 H19 0.9500 . ?
 C20 C21 1.401(3) . ?
 C20 C25 1.389(3) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.389(3) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.374(4) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.376(4) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.395(3) . ?
 C25 H25 0.9500 . ?
 C26 C27 1.405(3) . ?
 C26 C31 1.401(3) . ?
 C27 C28 1.389(3) . ?
 C27 C33 1.508(3) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.384(4) . ?
 C29 C30 1.377(3) . ?
 C29 C32 1.516(3) . ?
 C30 H30 0.9500 . ?
 C30 C31 1.396(3) . ?
 C31 C34 1.504(3) . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 C33 H33A 0.9800 . ?
 C33 H33B 0.9800 . ?
 C33 H33C 0.9800 . ?
 C34 H34A 0.9800 . ?
 C34 H34B 0.9800 . ?
 C34 H34C 0.9800 . ?
 C35 C36 1.405(3) . ?
 C35 C40 1.402(3) . ?
 C36 C37 1.393(3) . ?
 C36 C42 1.500(3) . ?
 C37 H37 0.9500 . ?
 C37 C38 1.377(3) . ?
 C38 C39 1.383(4) . ?
 C38 C41 1.517(3) . ?
 C39 H39 0.9500 . ?
 C39 C40 1.397(3) . ?
 C40 C43 1.503(3) . ?
 C41 H41A 0.9800 . ?
 C41 H41B 0.9800 . ?
 C41 H41C 0.9800 . ?
 C42 H42A 0.9800 . ?
 C42 H42B 0.9800 . ?
 C42 H42C 0.9800 . ?
 C43 H43A 0.9800 . ?
 C43 H43B 0.9800 . ?
 C43 H43C 0.9800 . ?
 C44 C45 1.392(3) . ?
 C44 C69 1.488(3) . ?
 C45 H45 0.9500 . ?
 C45 C46 1.401(3) . ?
 C46 C47 1.398(3) . ?
 C46 C57 1.478(3) . ?
 C47 C48 1.440(3) . ?
 C48 C49 1.390(3) . ?
 C49 H49 0.9500 . ?
 C49 C50 1.382(3) . ?
 C50 H50 0.9500 . ?
 C50 C51 1.384(3) . ?
 C51 H51 0.9500 . ?
 C51 C52 1.390(3) . ?
 C52 C53 1.447(3) . ?
 C53 C54 1.403(3) . ?
 C54 C55 1.408(3) . ?
 C54 C63 1.471(3) . ?
 C55 H55 0.9500 . ?
 C55 C56 1.394(3) . ?
 C56 C78 1.487(3) . ?
 C57 C58 1.395(3) . ?
 C57 C62 1.397(3) . ?
 C58 H58 0.9500 . ?
 C58 C59 1.388(3) . ?
 C59 H59 0.9500 . ?
 C59 C60 1.379(4) . ?
 C60 H60 0.9500 . ?
 C60 C61 1.376(4) . ?
 C61 H61 0.9500 . ?
 C61 C62 1.385(3) . ?
 C62 H62 0.9500 . ?
 C63 C64 1.401(3) . ?
 C63 C68 1.397(3) . ?
 C64 H64 0.9500 . ?
 C64 C65 1.388(3) . ?
 C65 H65 0.9500 . ?
 C65 C66 1.374(4) . ?
 C66 H66 0.9500 . ?
 C66 C67 1.382(4) . ?
 C67 H67 0.9500 . ?
 C67 C68 1.394(3) . ?
 C68 H68 0.9500 . ?
 C69 C70 1.402(3) . ?
 C69 C74 1.406(3) . ?
 C70 C71 1.400(3) . ?
 C70 C75 1.508(3) . ?
 C71 H71 0.9500 . ?
 C71 C72 1.375(4) . ?
 C72 C73 1.370(4) . ?
 C72 C76 1.525(3) . ?
 C73 H73 0.9500 . ?
 C73 C74 1.395(3) . ?
 C74 C77 1.497(3) . ?
 C75 H75A 0.9800 . ?
 C75 H75B 0.9800 . ?
 C75 H75C 0.9800 . ?
 C76 H76A 0.9800 . ?
 C76 H76B 0.9800 . ?
 C76 H76C 0.9800 . ?
 C77 H77A 0.9800 . ?
 C77 H77B 0.9800 . ?
 C77 H77C 0.9800 . ?
 C78 C79 1.409(3) . ?
 C78 C83 1.402(3) . ?
 C79 C80 1.397(3) . ?
 C79 C85 1.504(3) . ?
 C80 H80 0.9500 . ?
 C80 C81 1.376(3) . ?
 C81 C82 1.392(3) . ?
 C81 C84 1.514(3) . ?
 C82 H82 0.9500 . ?
 C82 C83 1.389(3) . ?
 C83 C86 1.510(3) . ?
 C84 H84A 0.9800 . ?
 C84 H84B 0.9800 . ?
 C84 H84C 0.9800 . ?
 C85 H85A 0.9800 . ?
 C85 H85B 0.9800 . ?
 C85 H85C 0.9800 . ?
 C86 H86A 0.9800 . ?
 C86 H86B 0.9800 . ?
 C86 H86C 0.9800 . ?
 O1 C87 1.430(3) . ?
 O1 C90 1.436(3) . ?
 O1 Li1 1.913(4) . ?
 O2 C99 1.440(3) . ?
 O2 C102 1.434(3) . ?
 O2 Li1 1.910(4) . ?
 O3 C95 1.438(3) . ?
 O3 C98 1.443(3) . ?
 O3 Li1 1.913(5) . ?
 O4 C91 1.440(3) . ?
 O4 C94 1.435(3) . ?
 O4 Li1 1.925(4) . ?
 C87 H87A 0.9900 . ?
 C87 H87B 0.9900 . ?
 C87 C88 1.494(4) . ?
 C88 H88A 0.9900 . ?
 C88 H88B 0.9900 . ?
 C88 C89 1.523(5) . ?
 C89 H89A 0.9900 . ?
 C89 H89B 0.9900 . ?
 C89 C90 1.490(4) . ?
 C90 H90A 0.9900 . ?
 C90 H90B 0.9900 . ?
 C91 H91A 0.9900 . ?
 C91 H91B 0.9900 . ?
 C91 C92 1.494(4) . ?
 C92 H92A 0.9900 . ?
 C92 H92B 0.9900 . ?
 C92 C93 1.506(5) . ?
 C93 H93A 0.9900 . ?
 C93 H93B 0.9900 . ?
 C93 C94 1.495(4) . ?
 C94 H94A 0.9900 . ?
 C94 H94B 0.9900 . ?
 C95 H95A 0.9900 . ?
 C95 H95B 0.9900 . ?
 C95 C96 1.494(4) . ?
 C96 H96A 0.9900 . ?
 C96 H96B 0.9900 . ?
 C96 C97 1.510(4) . ?
 C97 H97A 0.9900 . ?
 C97 H97B 0.9900 . ?
 C97 C98 1.485(4) . ?
 C98 H98A 0.9900 . ?
 C98 H98B 0.9900 . ?
 C99 H99A 0.9900 . ?
 C99 H99B 0.9900 . ?
 C99 C100 1.489(4) . ?
 C100 H10A 0.9900 . ?
 C100 H10B 0.9900 . ?
 C100 C101 1.510(4) . ?
 C101 H10C 0.9900 . ?
 C101 H10D 0.9900 . ?
 C101 C102 1.487(4) . ?
 C102 H10E 0.9900 . ?
 C102 H10F 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
 N1 Co1 N4 92.60(7) . . ?
 N2 Co1 N1 82.03(6) . . ?
 N2 Co1 N3 82.11(6) . . ?
 N2 Co1 N4 96.28(6) . . ?
 N2 Co1 N5 177.74(7) . . ?
 N2 Co1 N6 99.62(7) . . ?
 N3 Co1 N1 164.05(6) . . ?
 N3 Co1 N4 90.83(6) . . ?
 N5 Co1 N1 96.47(6) . . ?
 N5 Co1 N3 99.43(7) . . ?
 N5 Co1 N4 82.07(6) . . ?
 N5 Co1 N6 82.07(6) . . ?
 N6 Co1 N1 90.91(7) . . ?
 N6 Co1 N3 90.05(7) . . ?
 N6 Co1 N4 164.04(6) . . ?
 C1 N1 Co1 140.65(13) . . ?
 C1 N1 C4 106.33(16) . . ?
 C4 N1 Co1 112.76(12) . . ?
 C5 N2 Co1 118.73(12) . . ?
 C5 N2 C9 122.68(16) . . ?
 C9 N2 Co1 118.49(13) . . ?
 C10 N3 Co1 112.98(12) . . ?
 C13 N3 Co1 139.59(13) . . ?
 C13 N3 C10 107.38(15) . . ?
 C44 N4 Co1 140.82(13) . . ?
 C44 N4 C47 106.66(15) . . ?
 C47 N4 Co1 112.36(12) . . ?
 C48 N5 Co1 118.53(12) . . ?
 C52 N5 Co1 118.72(12) . . ?
 C52 N5 C48 122.74(16) . . ?
 C53 N6 Co1 113.10(12) . . ?
 C56 N6 Co1 139.63(13) . . ?
 C56 N6 C53 107.14(16) . . ?
 N1 C1 C2 109.47(16) . . ?
 N1 C1 C26 127.01(17) . . ?
 C2 C1 C26 123.52(17) . . ?
 C1 C2 H2 125.7 . . ?
 C1 C2 C3 108.63(17) . . ?
 C3 C2 H2 125.7 . . ?
 C2 C3 C14 123.02(17) . . ?
 C4 C3 C2 104.86(17) . . ?
 C4 C3 C14 132.04(17) . . ?
 N1 C4 C3 110.70(16) . . ?
 N1 C4 C5 114.56(16) . . ?
 C3 C4 C5 134.32(18) . . ?
 N2 C5 C4 111.84(16) . . ?
 N2 C5 C6 119.66(17) . . ?
 C6 C5 C4 128.49(18) . . ?
 C5 C6 H6 120.8 . . ?
 C7 C6 C5 118.40(19) . . ?
 C7 C6 H6 120.8 . . ?
 C6 C7 H7 119.4 . . ?
 C8 C7 C6 121.21(18) . . ?
 C8 C7 H7 119.4 . . ?
 C7 C8 H8 120.5 . . ?
 C7 C8 C9 118.98(18) . . ?
 C9 C8 H8 120.5 . . ?
 N2 C9 C8 118.95(18) . . ?
 N2 C9 C10 111.62(16) . . ?
 C8 C9 C10 129.42(17) . . ?
 N3 C10 C9 114.71(16) . . ?
 N3 C10 C11 109.82(17) . . ?
 C11 C10 C9 135.35(17) . . ?
 C10 C11 C20 130.94(19) . . ?
 C12 C11 C10 105.41(17) . . ?
 C12 C11 C20 123.64(19) . . ?
 C11 C12 H12 125.7 . . ?
 C13 C12 C11 108.54(18) . . ?
 C13 C12 H12 125.7 . . ?
 N3 C13 C12 108.84(17) . . ?
 N3 C13 C35 125.99(17) . . ?
 C12 C13 C35 125.09(18) . . ?
 C15 C14 C3 123.86(19) . . ?
 C15 C14 C19 117.42(19) . . ?
 C19 C14 C3 118.55(18) . . ?
 C14 C15 H15 119.5 . . ?
 C16 C15 C14 121.1(2) . . ?
 C16 C15 H15 119.5 . . ?
 C15 C16 H16 119.7 . . ?
 C17 C16 C15 120.6(2) . . ?
 C17 C16 H16 119.7 . . ?
 C16 C17 H17 120.4 . . ?
 C18 C17 C16 119.2(2) . . ?
 C18 C17 H17 120.4 . . ?
 C17 C18 H18 119.6 . . ?
 C17 C18 C19 120.8(2) . . ?
 C19 C18 H18 119.6 . . ?
 C14 C19 H19 119.6 . . ?
 C18 C19 C14 120.9(2) . . ?
 C18 C19 H19 119.6 . . ?
 C21 C20 C11 119.1(2) . . ?
 C25 C20 C11 123.0(2) . . ?
 C25 C20 C21 117.8(2) . . ?
 C20 C21 H21 119.5 . . ?
 C22 C21 C20 121.0(3) . . ?
 C22 C21 H21 119.5 . . ?
 C21 C22 H22 119.9 . . ?
 C23 C22 C21 120.3(3) . . ?
 C23 C22 H22 119.9 . . ?
 C22 C23 H23 120.2 . . ?
 C22 C23 C24 119.6(2) . . ?
 C24 C23 H23 120.2 . . ?
 C23 C24 H24 119.7 . . ?
 C23 C24 C25 120.7(3) . . ?
 C25 C24 H24 119.7 . . ?
 C20 C25 C24 120.6(2) . . ?
 C20 C25 H25 119.7 . . ?
 C24 C25 H25 119.7 . . ?
 C27 C26 C1 120.15(19) . . ?
 C31 C26 C1 119.83(18) . . ?
 C31 C26 C27 119.53(18) . . ?
 C26 C27 C33 121.05(19) . . ?
 C28 C27 C26 118.8(2) . . ?
 C28 C27 C33 120.1(2) . . ?
 C27 C28 H28 118.8 . . ?
 C29 C28 C27 122.4(2) . . ?
 C29 C28 H28 118.8 . . ?
 C28 C29 C32 120.7(2) . . ?
 C30 C29 C28 117.9(2) . . ?
 C30 C29 C32 121.4(2) . . ?
 C29 C30 H30 119.0 . . ?
 C29 C30 C31 122.1(2) . . ?
 C31 C30 H30 119.0 . . ?
 C26 C31 C34 121.26(18) . . ?
 C30 C31 C26 119.0(2) . . ?
 C30 C31 C34 119.7(2) . . ?
 C29 C32 H32A 109.5 . . ?
 C29 C32 H32B 109.5 . . ?
 C29 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 C27 C33 H33A 109.5 . . ?
 C27 C33 H33B 109.5 . . ?
 C27 C33 H33C 109.5 . . ?
 H33A C33 H33B 109.5 . . ?
 H33A C33 H33C 109.5 . . ?
 H33B C33 H33C 109.5 . . ?
 C31 C34 H34A 109.5 . . ?
 C31 C34 H34B 109.5 . . ?
 C31 C34 H34C 109.5 . . ?
 H34A C34 H34B 109.5 . . ?
 H34A C34 H34C 109.5 . . ?
 H34B C34 H34C 109.5 . . ?
 C36 C35 C13 119.86(18) . . ?
 C40 C35 C13 120.76(19) . . ?
 C40 C35 C36 119.19(19) . . ?
 C35 C36 C42 120.97(19) . . ?
 C37 C36 C35 119.3(2) . . ?
 C37 C36 C42 119.7(2) . . ?
 C36 C37 H37 118.8 . . ?
 C38 C37 C36 122.3(2) . . ?
 C38 C37 H37 118.8 . . ?
 C37 C38 C39 117.7(2) . . ?
 C37 C38 C41 120.9(3) . . ?
 C39 C38 C41 121.4(3) . . ?
 C38 C39 H39 118.8 . . ?
 C38 C39 C40 122.4(2) . . ?
 C40 C39 H39 118.8 . . ?
 C35 C40 C43 121.3(2) . . ?
 C39 C40 C35 118.9(2) . . ?
 C39 C40 C43 119.8(2) . . ?
 C38 C41 H41A 109.5 . . ?
 C38 C41 H41B 109.5 . . ?
 C38 C41 H41C 109.5 . . ?
 H41A C41 H41B 109.5 . . ?
 H41A C41 H41C 109.5 . . ?
 H41B C41 H41C 109.5 . . ?
 C36 C42 H42A 109.5 . . ?
 C36 C42 H42B 109.5 . . ?
 C36 C42 H42C 109.5 . . ?
 H42A C42 H42B 109.5 . . ?
 H42A C42 H42C 109.5 . . ?
 H42B C42 H42C 109.5 . . ?
 C40 C43 H43A 109.5 . . ?
 C40 C43 H43B 109.5 . . ?
 C40 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 N4 C44 C45 109.31(17) . . ?
 N4 C44 C69 127.07(17) . . ?
 C45 C44 C69 123.37(18) . . ?
 C44 C45 H45 125.8 . . ?
 C44 C45 C46 108.42(18) . . ?
 C46 C45 H45 125.8 . . ?
 C45 C46 C57 123.19(18) . . ?
 C47 C46 C45 105.19(17) . . ?
 C47 C46 C57 131.62(18) . . ?
 N4 C47 C46 110.38(16) . . ?
 N4 C47 C48 115.13(16) . . ?
 C46 C47 C48 134.42(17) . . ?
 N5 C48 C47 111.83(16) . . ?
 N5 C48 C49 119.42(17) . . ?
 C49 C48 C47 128.74(18) . . ?
 C48 C49 H49 120.6 . . ?
 C50 C49 C48 118.76(18) . . ?
 C50 C49 H49 120.6 . . ?
 C49 C50 H50 119.6 . . ?
 C49 C50 C51 120.86(18) . . ?
 C51 C50 H50 119.6 . . ?
 C50 C51 H51 120.4 . . ?
 C50 C51 C52 119.24(18) . . ?
 C52 C51 H51 120.4 . . ?
 N5 C52 C51 118.86(17) . . ?
 N5 C52 C53 111.47(16) . . ?
 C51 C52 C53 129.65(18) . . ?
 N6 C53 C52 114.60(16) . . ?
 N6 C53 C54 110.27(16) . . ?
 C54 C53 C52 134.88(18) . . ?
 C53 C54 C55 104.97(17) . . ?
 C53 C54 C63 131.43(18) . . ?
 C55 C54 C63 123.59(18) . . ?
 C54 C55 H55 125.6 . . ?
 C56 C55 C54 108.87(17) . . ?
 C56 C55 H55 125.6 . . ?
 N6 C56 C55 108.74(16) . . ?
 N6 C56 C78 126.08(17) . . ?
 C55 C56 C78 125.18(17) . . ?
 C58 C57 C46 123.19(19) . . ?
 C58 C57 C62 117.58(19) . . ?
 C62 C57 C46 119.00(19) . . ?
 C57 C58 H58 119.5 . . ?
 C59 C58 C57 120.9(2) . . ?
 C59 C58 H58 119.5 . . ?
 C58 C59 H59 119.7 . . ?
 C60 C59 C58 120.6(2) . . ?
 C60 C59 H59 119.7 . . ?
 C59 C60 H60 120.4 . . ?
 C61 C60 C59 119.2(2) . . ?
 C61 C60 H60 120.4 . . ?
 C60 C61 H61 119.7 . . ?
 C60 C61 C62 120.7(2) . . ?
 C62 C61 H61 119.7 . . ?
 C57 C62 H62 119.5 . . ?
 C61 C62 C57 121.0(2) . . ?
 C61 C62 H62 119.5 . . ?
 C64 C63 C54 119.58(19) . . ?
 C68 C63 C54 122.86(19) . . ?
 C68 C63 C64 117.5(2) . . ?
 C63 C64 H64 119.4 . . ?
 C65 C64 C63 121.1(2) . . ?
 C65 C64 H64 119.4 . . ?
 C64 C65 H65 119.7 . . ?
 C66 C65 C64 120.6(2) . . ?
 C66 C65 H65 119.7 . . ?
 C65 C66 H66 120.3 . . ?
 C65 C66 C67 119.4(2) . . ?
 C67 C66 H66 120.3 . . ?
 C66 C67 H67 119.8 . . ?
 C66 C67 C68 120.4(2) . . ?
 C68 C67 H67 119.8 . . ?
 C63 C68 H68 119.5 . . ?
 C67 C68 C63 121.0(2) . . ?
 C67 C68 H68 119.5 . . ?
 C70 C69 C44 120.81(19) . . ?
 C70 C69 C74 119.36(19) . . ?
 C74 C69 C44 119.42(19) . . ?
 C69 C70 C75 120.6(2) . . ?
 C71 C70 C69 118.8(2) . . ?
 C71 C70 C75 120.6(2) . . ?
 C70 C71 H71 118.9 . . ?
 C72 C71 C70 122.2(2) . . ?
 C72 C71 H71 118.9 . . ?
 C71 C72 C76 120.1(3) . . ?
 C73 C72 C71 118.3(2) . . ?
 C73 C72 C76 121.6(3) . . ?
 C72 C73 H73 118.9 . . ?
 C72 C73 C74 122.3(2) . . ?
 C74 C73 H73 118.9 . . ?
 C69 C74 C77 120.78(19) . . ?
 C73 C74 C69 118.9(2) . . ?
 C73 C74 C77 120.2(2) . . ?
 C70 C75 H75A 109.5 . . ?
 C70 C75 H75B 109.5 . . ?
 C70 C75 H75C 109.5 . . ?
 H75A C75 H75B 109.5 . . ?
 H75A C75 H75C 109.5 . . ?
 H75B C75 H75C 109.5 . . ?
 C72 C76 H76A 109.5 . . ?
 C72 C76 H76B 109.5 . . ?
 C72 C76 H76C 109.5 . . ?
 H76A C76 H76B 109.5 . . ?
 H76A C76 H76C 109.5 . . ?
 H76B C76 H76C 109.5 . . ?
 C74 C77 H77A 109.5 . . ?
 C74 C77 H77B 109.5 . . ?
 C74 C77 H77C 109.5 . . ?
 H77A C77 H77B 109.5 . . ?
 H77A C77 H77C 109.5 . . ?
 H77B C77 H77C 109.5 . . ?
 C79 C78 C56 120.15(19) . . ?
 C83 C78 C56 120.31(18) . . ?
 C83 C78 C79 119.29(18) . . ?
 C78 C79 C85 121.94(19) . . ?
 C80 C79 C78 118.9(2) . . ?
 C80 C79 C85 119.1(2) . . ?
 C79 C80 H80 118.8 . . ?
 C81 C80 C79 122.4(2) . . ?
 C81 C80 H80 118.8 . . ?
 C80 C81 C82 117.8(2) . . ?
 C80 C81 C84 121.4(2) . . ?
 C82 C81 C84 120.8(2) . . ?
 C81 C82 H82 119.0 . . ?
 C83 C82 C81 122.1(2) . . ?
 C83 C82 H82 119.0 . . ?
 C78 C83 C86 121.06(19) . . ?
 C82 C83 C78 119.4(2) . . ?
 C82 C83 C86 119.5(2) . . ?
 C81 C84 H84A 109.5 . . ?
 C81 C84 H84B 109.5 . . ?
 C81 C84 H84C 109.5 . . ?
 H84A C84 H84B 109.5 . . ?
 H84A C84 H84C 109.5 . . ?
 H84B C84 H84C 109.5 . . ?
 C79 C85 H85A 109.5 . . ?
 C79 C85 H85B 109.5 . . ?
 C79 C85 H85C 109.5 . . ?
 H85A C85 H85B 109.5 . . ?
 H85A C85 H85C 109.5 . . ?
 H85B C85 H85C 109.5 . . ?
 C83 C86 H86A 109.5 . . ?
 C83 C86 H86B 109.5 . . ?
 C83 C86 H86C 109.5 . . ?
 H86A C86 H86B 109.5 . . ?
 H86A C86 H86C 109.5 . . ?
 H86B C86 H86C 109.5 . . ?
 C87 O1 C90 109.4(2) . . ?
 C87 O1 Li1 119.7(2) . . ?
 C90 O1 Li1 126.6(2) . . ?
 C99 O2 Li1 115.62(19) . . ?
 C102 O2 C99 108.93(19) . . ?
 C102 O2 Li1 129.0(2) . . ?
 C95 O3 C98 108.82(19) . . ?
 C95 O3 Li1 117.10(19) . . ?
 C98 O3 Li1 128.0(2) . . ?
 C91 O4 Li1 127.3(2) . . ?
 C94 O4 C91 108.8(2) . . ?
 C94 O4 Li1 120.7(2) . . ?
 O1 C87 H87A 110.6 . . ?
 O1 C87 H87B 110.6 . . ?
 O1 C87 C88 105.7(3) . . ?
 H87A C87 H87B 108.7 . . ?
 C88 C87 H87A 110.6 . . ?
 C88 C87 H87B 110.6 . . ?
 C87 C88 H88A 111.6 . . ?
 C87 C88 H88B 111.6 . . ?
 C87 C88 C89 101.0(3) . . ?
 H88A C88 H88B 109.4 . . ?
 C89 C88 H88A 111.6 . . ?
 C89 C88 H88B 111.6 . . ?
 C88 C89 H89A 111.2 . . ?
 C88 C89 H89B 111.2 . . ?
 H89A C89 H89B 109.1 . . ?
 C90 C89 C88 102.7(3) . . ?
 C90 C89 H89A 111.2 . . ?
 C90 C89 H89B 111.2 . . ?
 O1 C90 C89 105.9(3) . . ?
 O1 C90 H90A 110.6 . . ?
 O1 C90 H90B 110.6 . . ?
 C89 C90 H90A 110.6 . . ?
 C89 C90 H90B 110.6 . . ?
 H90A C90 H90B 108.7 . . ?
 O4 C91 H91A 110.5 . . ?
 O4 C91 H91B 110.5 . . ?
 O4 C91 C92 106.4(2) . . ?
 H91A C91 H91B 108.6 . . ?
 C92 C91 H91A 110.5 . . ?
 C92 C91 H91B 110.5 . . ?
 C91 C92 H92A 111.2 . . ?
 C91 C92 H92B 111.2 . . ?
 C91 C92 C93 102.6(2) . . ?
 H92A C92 H92B 109.2 . . ?
 C93 C92 H92A 111.2 . . ?
 C93 C92 H92B 111.2 . . ?
 C92 C93 H93A 111.4 . . ?
 C92 C93 H93B 111.4 . . ?
 H93A C93 H93B 109.3 . . ?
 C94 C93 C92 101.8(3) . . ?
 C94 C93 H93A 111.4 . . ?
 C94 C93 H93B 111.4 . . ?
 O4 C94 C93 105.4(2) . . ?
 O4 C94 H94A 110.7 . . ?
 O4 C94 H94B 110.7 . . ?
 C93 C94 H94A 110.7 . . ?
 C93 C94 H94B 110.7 . . ?
 H94A C94 H94B 108.8 . . ?
 O3 C95 H95A 110.7 . . ?
 O3 C95 H95B 110.7 . . ?
 O3 C95 C96 105.2(2) . . ?
 H95A C95 H95B 108.8 . . ?
 C96 C95 H95A 110.7 . . ?
 C96 C95 H95B 110.7 . . ?
 C95 C96 H96A 111.3 . . ?
 C95 C96 H96B 111.3 . . ?
 C95 C96 C97 102.2(2) . . ?
 H96A C96 H96B 109.2 . . ?
 C97 C96 H96A 111.3 . . ?
 C97 C96 H96B 111.3 . . ?
 C96 C97 H97A 111.0 . . ?
 C96 C97 H97B 111.0 . . ?
 H97A C97 H97B 109.0 . . ?
 C98 C97 C96 104.0(2) . . ?
 C98 C97 H97A 111.0 . . ?
 C98 C97 H97B 111.0 . . ?
 O3 C98 C97 106.9(2) . . ?
 O3 C98 H98A 110.3 . . ?
 O3 C98 H98B 110.3 . . ?
 C97 C98 H98A 110.3 . . ?
 C97 C98 H98B 110.3 . . ?
 H98A C98 H98B 108.6 . . ?
 O2 C99 H99A 110.7 . . ?
 O2 C99 H99B 110.7 . . ?
 O2 C99 C100 105.2(2) . . ?
 H99A C99 H99B 108.8 . . ?
 C100 C99 H99A 110.7 . . ?
 C100 C99 H99B 110.7 . . ?
 C99 C100 H10A 111.3 . . ?
 C99 C100 H10B 111.3 . . ?
 C99 C100 C101 102.5(2) . . ?
 H10A C100 H10B 109.2 . . ?
 C101 C100 H10A 111.3 . . ?
 C101 C100 H10B 111.3 . . ?
 C100 C101 H10C 110.9 . . ?
 C100 C101 H10D 110.9 . . ?
 H10C C101 H10D 108.9 . . ?
 C102 C101 C100 104.4(2) . . ?
 C102 C101 H10C 110.9 . . ?
 C102 C101 H10D 110.9 . . ?
 O2 C102 C101 107.0(2) . . ?
 O2 C102 H10E 110.3 . . ?
 O2 C102 H10F 110.3 . . ?
 C101 C102 H10E 110.3 . . ?
 C101 C102 H10F 110.3 . . ?
 H10E C102 H10F 108.6 . . ?
 O1 Li1 O3 112.7(2) . . ?
 O1 Li1 O4 107.4(2) . . ?
 O2 Li1 O1 108.9(2) . . ?
 O2 Li1 O3 108.6(2) . . ?
 O2 Li1 O4 111.8(2) . . ?
 O3 Li1 O4 107.6(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
 Co1 N1 C1 C2 173.02(16) . . . . ?
 Co1 N1 C1 C26 -6.8(3) . . . . ?
 Co1 N1 C4 C3 -175.65(13) . . . . ?
 Co1 N1 C4 C5 -2.1(2) . . . . ?
 Co1 N2 C5 C4 2.0(2) . . . . ?
 Co1 N2 C5 C6 -178.78(15) . . . . ?
 Co1 N2 C9 C8 175.63(14) . . . . ?
 Co1 N2 C9 C10 -3.4(2) . . . . ?
 Co1 N3 C10 C9 -0.3(2) . . . . ?
 Co1 N3 C10 C11 -176.97(13) . . . . ?
 Co1 N3 C13 C12 175.76(16) . . . . ?
 Co1 N3 C13 C35 -7.3(3) . . . . ?
 Co1 N4 C44 C45 -172.53(16) . . . . ?
 Co1 N4 C44 C69 13.2(3) . . . . ?
 Co1 N4 C47 C46 174.83(13) . . . . ?
 Co1 N4 C47 C48 -2.4(2) . . . . ?
 Co1 N5 C48 C47 1.8(2) . . . . ?
 Co1 N5 C48 C49 -178.96(14) . . . . ?
 Co1 N5 C52 C51 -178.06(14) . . . . ?
 Co1 N5 C52 C53 0.9(2) . . . . ?
 Co1 N6 C53 C52 1.9(2) . . . . ?
 Co1 N6 C53 C54 177.01(13) . . . . ?
 Co1 N6 C56 C55 -175.37(16) . . . . ?
 Co1 N6 C56 C78 4.9(3) . . . . ?
 N1 Co1 N2 C5 -2.57(14) . . . . ?
 N1 Co1 N2 C9 -179.08(14) . . . . ?
 N1 Co1 N5 C48 89.21(14) . . . . ?
 N1 Co1 N5 C52 -89.95(14) . . . . ?
 N1 C1 C2 C3 0.6(2) . . . . ?
 N1 C1 C26 C27 -87.2(3) . . . . ?
 N1 C1 C26 C31 100.8(2) . . . . ?
 N1 C4 C5 N2 0.1(2) . . . . ?
 N1 C4 C5 C6 -178.93(19) . . . . ?
 N2 C5 C6 C7 3.6(3) . . . . ?
 N2 C9 C10 N3 2.3(2) . . . . ?
 N2 C9 C10 C11 177.8(2) . . . . ?
 N3 Co1 N2 C5 179.16(15) . . . . ?
 N3 Co1 N2 C9 2.65(14) . . . . ?
 N3 Co1 N5 C48 -92.05(14) . . . . ?
 N3 Co1 N5 C52 88.79(14) . . . . ?
 N3 C10 C11 C12 -0.2(2) . . . . ?
 N3 C10 C11 C20 180.0(2) . . . . ?
 N3 C13 C35 C36 -87.1(3) . . . . ?
 N3 C13 C35 C40 97.9(2) . . . . ?
 N4 Co1 N2 C5 89.19(14) . . . . ?
 N4 Co1 N2 C9 -87.32(14) . . . . ?
 N4 Co1 N5 C48 -2.53(14) . . . . ?
 N4 Co1 N5 C52 178.31(14) . . . . ?
 N4 C44 C45 C46 -2.1(2) . . . . ?
 N4 C44 C69 C70 -103.2(2) . . . . ?
 N4 C44 C69 C74 84.3(3) . . . . ?
 N4 C47 C48 N5 0.5(2) . . . . ?
 N4 C47 C48 C49 -178.60(19) . . . . ?
 N5 C48 C49 C50 -2.6(3) . . . . ?
 N5 C52 C53 N6 -1.8(2) . . . . ?
 N5 C52 C53 C54 -175.4(2) . . . . ?
 N6 Co1 N2 C5 -92.14(14) . . . . ?
 N6 Co1 N2 C9 91.35(14) . . . . ?
 N6 Co1 N5 C48 179.22(14) . . . . ?
 N6 Co1 N5 C52 0.06(14) . . . . ?
 N6 C53 C54 C55 -0.4(2) . . . . ?
 N6 C53 C54 C63 -179.3(2) . . . . ?
 N6 C56 C78 C79 -98.9(2) . . . . ?
 N6 C56 C78 C83 86.9(3) . . . . ?
 C1 N1 C4 C3 -0.3(2) . . . . ?
 C1 N1 C4 C5 173.22(16) . . . . ?
 C1 C2 C3 C4 -0.7(2) . . . . ?
 C1 C2 C3 C14 -177.82(19) . . . . ?
 C1 C26 C27 C28 -176.91(19) . . . . ?
 C1 C26 C27 C33 1.0(3) . . . . ?
 C1 C26 C31 C30 176.80(18) . . . . ?
 C1 C26 C31 C34 -1.2(3) . . . . ?
 C2 C1 C26 C27 93.0(3) . . . . ?
 C2 C1 C26 C31 -79.0(3) . . . . ?
 C2 C3 C4 N1 0.7(2) . . . . ?
 C2 C3 C4 C5 -171.1(2) . . . . ?
 C2 C3 C14 C15 -131.9(2) . . . . ?
 C2 C3 C14 C19 43.2(3) . . . . ?
 C3 C4 C5 N2 171.7(2) . . . . ?
 C3 C4 C5 C6 -7.4(4) . . . . ?
 C3 C14 C15 C16 174.69(19) . . . . ?
 C3 C14 C19 C18 -175.1(2) . . . . ?
 C4 N1 C1 C2 -0.2(2) . . . . ?
 C4 N1 C1 C26 179.99(19) . . . . ?
 C4 C3 C14 C15 51.9(3) . . . . ?
 C4 C3 C14 C19 -132.9(2) . . . . ?
 C4 C5 C6 C7 -177.4(2) . . . . ?
 C5 N2 C9 C8 -0.7(3) . . . . ?
 C5 N2 C9 C10 -179.81(17) . . . . ?
 C5 C6 C7 C8 -1.8(3) . . . . ?
 C6 C7 C8 C9 -1.3(3) . . . . ?
 C7 C8 C9 N2 2.6(3) . . . . ?
 C7 C8 C9 C10 -178.5(2) . . . . ?
 C8 C9 C10 N3 -176.62(19) . . . . ?
 C8 C9 C10 C11 -1.1(4) . . . . ?
 C9 N2 C5 C4 178.40(16) . . . . ?
 C9 N2 C5 C6 -2.4(3) . . . . ?
 C9 C10 C11 C12 -175.9(2) . . . . ?
 C9 C10 C11 C20 4.4(4) . . . . ?
 C10 N3 C13 C12 -1.2(2) . . . . ?
 C10 N3 C13 C35 175.74(19) . . . . ?
 C10 C11 C12 C13 -0.5(2) . . . . ?
 C10 C11 C20 C21 -136.4(2) . . . . ?
 C10 C11 C20 C25 47.6(3) . . . . ?
 C11 C12 C13 N3 1.1(2) . . . . ?
 C11 C12 C13 C35 -175.90(19) . . . . ?
 C11 C20 C21 C22 -176.3(2) . . . . ?
 C11 C20 C25 C24 176.2(2) . . . . ?
 C12 C11 C20 C21 43.9(3) . . . . ?
 C12 C11 C20 C25 -132.1(2) . . . . ?
 C12 C13 C35 C36 89.4(3) . . . . ?
 C12 C13 C35 C40 -85.6(3) . . . . ?
 C13 N3 C10 C9 177.55(16) . . . . ?
 C13 N3 C10 C11 0.9(2) . . . . ?
 C13 C35 C36 C37 179.93(18) . . . . ?
 C13 C35 C36 C42 -2.7(3) . . . . ?
 C13 C35 C40 C39 179.16(19) . . . . ?
 C13 C35 C40 C43 0.8(3) . . . . ?
 C14 C3 C4 N1 177.4(2) . . . . ?
 C14 C3 C4 C5 5.6(4) . . . . ?
 C14 C15 C16 C17 0.4(3) . . . . ?
 C15 C14 C19 C18 0.4(3) . . . . ?
 C15 C16 C17 C18 -0.1(3) . . . . ?
 C16 C17 C18 C19 -0.1(4) . . . . ?
 C17 C18 C19 C14 -0.1(4) . . . . ?
 C19 C14 C15 C16 -0.5(3) . . . . ?
 C20 C11 C12 C13 179.26(19) . . . . ?
 C20 C21 C22 C23 0.0(4) . . . . ?
 C21 C20 C25 C24 0.2(3) . . . . ?
 C21 C22 C23 C24 -0.1(4) . . . . ?
 C22 C23 C24 C25 0.2(4) . . . . ?
 C23 C24 C25 C20 -0.2(4) . . . . ?
 C25 C20 C21 C22 -0.1(3) . . . . ?
 C26 C1 C2 C3 -179.56(19) . . . . ?
 C26 C27 C28 C29 1.1(3) . . . . ?
 C27 C26 C31 C30 4.8(3) . . . . ?
 C27 C26 C31 C34 -173.25(19) . . . . ?
 C27 C28 C29 C30 2.9(3) . . . . ?
 C27 C28 C29 C32 -176.8(2) . . . . ?
 C28 C29 C30 C31 -3.0(3) . . . . ?
 C29 C30 C31 C26 -0.8(3) . . . . ?
 C29 C30 C31 C34 177.3(2) . . . . ?
 C31 C26 C27 C28 -4.9(3) . . . . ?
 C31 C26 C27 C33 173.00(19) . . . . ?
 C32 C29 C30 C31 176.6(2) . . . . ?
 C33 C27 C28 C29 -176.9(2) . . . . ?
 C35 C36 C37 C38 2.2(3) . . . . ?
 C36 C35 C40 C39 4.1(3) . . . . ?
 C36 C35 C40 C43 -174.24(19) . . . . ?
 C36 C37 C38 C39 1.4(3) . . . . ?
 C36 C37 C38 C41 -178.8(2) . . . . ?
 C37 C38 C39 C40 -2.3(4) . . . . ?
 C38 C39 C40 C35 -0.5(3) . . . . ?
 C38 C39 C40 C43 177.9(2) . . . . ?
 C40 C35 C36 C37 -5.0(3) . . . . ?
 C40 C35 C36 C42 172.39(19) . . . . ?
 C41 C38 C39 C40 177.9(2) . . . . ?
 C42 C36 C37 C38 -175.2(2) . . . . ?
 C44 N4 C47 C46 -1.6(2) . . . . ?
 C44 N4 C47 C48 -178.85(16) . . . . ?
 C44 C45 C46 C47 1.0(2) . . . . ?
 C44 C45 C46 C57 -179.81(19) . . . . ?
 C44 C69 C70 C71 -176.0(2) . . . . ?
 C44 C69 C70 C75 1.8(3) . . . . ?
 C44 C69 C74 C73 177.46(19) . . . . ?
 C44 C69 C74 C77 1.1(3) . . . . ?
 C45 C44 C69 C70 83.3(3) . . . . ?
 C45 C44 C69 C74 -89.3(3) . . . . ?
 C45 C46 C47 N4 0.3(2) . . . . ?
 C45 C46 C47 C48 176.9(2) . . . . ?
 C45 C46 C57 C58 125.0(2) . . . . ?
 C45 C46 C57 C62 -49.3(3) . . . . ?
 C46 C47 C48 N5 -175.9(2) . . . . ?
 C46 C47 C48 C49 5.0(4) . . . . ?
 C46 C57 C58 C59 -173.93(19) . . . . ?
 C46 C57 C62 C61 174.5(2) . . . . ?
 C47 N4 C44 C45 2.2(2) . . . . ?
 C47 N4 C44 C69 -172.08(19) . . . . ?
 C47 C46 C57 C58 -56.1(3) . . . . ?
 C47 C46 C57 C62 129.6(2) . . . . ?
 C47 C48 C49 C50 176.46(19) . . . . ?
 C48 N5 C52 C51 2.8(3) . . . . ?
 C48 N5 C52 C53 -178.21(16) . . . . ?
 C48 C49 C50 C51 2.1(3) . . . . ?
 C49 C50 C51 C52 0.9(3) . . . . ?
 C50 C51 C52 N5 -3.3(3) . . . . ?
 C50 C51 C52 C53 178.0(2) . . . . ?
 C51 C52 C53 N6 177.04(19) . . . . ?
 C51 C52 C53 C54 3.5(4) . . . . ?
 C52 N5 C48 C47 -179.06(16) . . . . ?
 C52 N5 C48 C49 0.2(3) . . . . ?
 C52 C53 C54 C55 173.4(2) . . . . ?
 C52 C53 C54 C63 -5.5(4) . . . . ?
 C53 N6 C56 C55 0.0(2) . . . . ?
 C53 N6 C56 C78 -179.81(19) . . . . ?
 C53 C54 C55 C56 0.4(2) . . . . ?
 C53 C54 C63 C64 136.7(2) . . . . ?
 C53 C54 C63 C68 -47.1(3) . . . . ?
 C54 C55 C56 N6 -0.2(2) . . . . ?
 C54 C55 C56 C78 179.55(19) . . . . ?
 C54 C63 C64 C65 176.4(2) . . . . ?
 C54 C63 C68 C67 -176.7(2) . . . . ?
 C55 C54 C63 C64 -42.0(3) . . . . ?
 C55 C54 C63 C68 134.2(2) . . . . ?
 C55 C56 C78 C79 81.4(3) . . . . ?
 C55 C56 C78 C83 -92.9(3) . . . . ?
 C56 N6 C53 C52 -174.86(16) . . . . ?
 C56 N6 C53 C54 0.3(2) . . . . ?
 C56 C78 C79 C80 -177.87(19) . . . . ?
 C56 C78 C79 C85 -0.2(3) . . . . ?
 C56 C78 C83 C82 178.61(19) . . . . ?
 C56 C78 C83 C86 1.0(3) . . . . ?
 C57 C46 C47 N4 -178.7(2) . . . . ?
 C57 C46 C47 C48 -2.2(4) . . . . ?
 C57 C58 C59 C60 -0.4(3) . . . . ?
 C58 C57 C62 C61 -0.1(3) . . . . ?
 C58 C59 C60 C61 0.0(4) . . . . ?
 C59 C60 C61 C62 0.3(4) . . . . ?
 C60 C61 C62 C57 -0.3(4) . . . . ?
 C62 C57 C58 C59 0.5(3) . . . . ?
 C63 C54 C55 C56 179.34(19) . . . . ?
 C63 C64 C65 C66 0.3(4) . . . . ?
 C64 C63 C68 C67 -0.4(3) . . . . ?
 C64 C65 C66 C67 -0.2(4) . . . . ?
 C65 C66 C67 C68 -0.2(4) . . . . ?
 C66 C67 C68 C63 0.5(4) . . . . ?
 C68 C63 C64 C65 0.0(3) . . . . ?
 C69 C44 C45 C46 172.49(19) . . . . ?
 C69 C70 C71 C72 0.2(4) . . . . ?
 C70 C69 C74 C73 4.8(3) . . . . ?
 C70 C69 C74 C77 -171.6(2) . . . . ?
 C70 C71 C72 C73 1.8(4) . . . . ?
 C70 C71 C72 C76 -178.4(3) . . . . ?
 C71 C72 C73 C74 -0.4(4) . . . . ?
 C72 C73 C74 C69 -2.9(3) . . . . ?
 C72 C73 C74 C77 173.5(2) . . . . ?
 C74 C69 C70 C71 -3.5(3) . . . . ?
 C74 C69 C70 C75 174.3(2) . . . . ?
 C75 C70 C71 C72 -177.6(2) . . . . ?
 C76 C72 C73 C74 179.8(3) . . . . ?
 C78 C79 C80 C81 0.0(3) . . . . ?
 C79 C78 C83 C82 4.3(3) . . . . ?
 C79 C78 C83 C86 -173.31(19) . . . . ?
 C79 C80 C81 C82 2.8(4) . . . . ?
 C79 C80 C81 C84 -177.4(2) . . . . ?
 C80 C81 C82 C83 -2.0(4) . . . . ?
 C81 C82 C83 C78 -1.5(3) . . . . ?
 C81 C82 C83 C86 176.1(2) . . . . ?
 C83 C78 C79 C80 -3.5(3) . . . . ?
 C83 C78 C79 C85 174.1(2) . . . . ?
 C84 C81 C82 C83 178.2(2) . . . . ?
 C85 C79 C80 C81 -177.8(2) . . . . ?
 O1 C87 C88 C89 34.5(3) . . . . ?
 O2 C99 C100 C101 -34.0(3) . . . . ?
 O3 C95 C96 C97 34.5(3) . . . . ?
 O4 C91 C92 C93 -27.5(3) . . . . ?
 C87 O1 C90 C89 -7.2(3) . . . . ?
 C87 C88 C89 C90 -38.1(3) . . . . ?
 C88 C89 C90 O1 28.5(3) . . . . ?
 C90 O1 C87 C88 -17.8(3) . . . . ?
 C91 O4 C94 C93 18.6(3) . . . . ?
 C91 C92 C93 C94 37.7(3) . . . . ?
 C92 C93 C94 O4 -35.0(3) . . . . ?
 C94 O4 C91 C92 5.8(3) . . . . ?
 C95 O3 C98 C97 0.4(3) . . . . ?
 C95 C96 C97 C98 -33.8(3) . . . . ?
 C96 C97 C98 O3 21.2(3) . . . . ?
 C98 O3 C95 C96 -22.2(3) . . . . ?
 C99 O2 C102 C101 -3.3(3) . . . . ?
 C99 C100 C101 C102 31.6(3) . . . . ?
 C100 C101 C102 O2 -18.1(3) . . . . ?
 C102 O2 C99 C100 23.8(3) . . . . ?
 Li1 O1 C87 C88 140.2(3) . . . . ?
 Li1 O1 C90 C89 -163.3(3) . . . . ?
 Li1 O2 C99 C100 -130.7(2) . . . . ?
 Li1 O2 C102 C101 146.7(3) . . . . ?
 Li1 O3 C95 C96 132.5(2) . . . . ?
 Li1 O3 C98 C97 -150.8(2) . . . . ?
 Li1 O4 C91 C92 165.5(2) . . . . ?
 Li1 O4 C94 C93 -142.6(2) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
