#------------------------------------------------------------------------------
#$Date: 2024-12-06 20:47:41 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296558 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/73/7717397.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7717397
loop_
_publ_author_name
'Di, Kai'
'Yang, Dawei'
'Su, Linan'
'Du, Ronghuan'
'Dong, Shengbin'
'Wang, Baomin'
'Qu, Jingping'
_publ_section_title
;
 A new family of thiolate-bridged bimetallic complexes featuring a
 benzimidazole moiety: synthesis, structure and redox reactivity.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18754
_journal_page_last               18761
_journal_paper_doi               10.1039/d4dt02484b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C36 H44 Co2 N4 S2, 2(F6 P), 2(C H2 Cl2)'
_chemical_formula_sum            'C38 H48 Cl4 Co2 F12 N4 P2 S2'
_chemical_formula_weight         1174.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-04-06
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-04-08 deposited with the CCDC.	2024-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.113(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5804(8)
_cell_length_b                   36.884(3)
_cell_length_c                   12.2830(9)
_cell_measurement_reflns_used    4146
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      33.659
_cell_measurement_theta_min      4.527
_cell_volume                     4669.9(6)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120.0
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1427
_diffrn_reflns_av_unetI/netI     0.1309
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            44435
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.943
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6329
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1177 before and 0.0970 after correction.
The Ratio of minimum to maximum transmission is 0.8493.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_description       block
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.29
_exptl_transmission_factor_max   33.659
_exptl_transmission_factor_min   4.527
_refine_diff_density_max         0.814
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         8134
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1610
_refine_ls_R_factor_gt           0.0953
_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)+(0.0479P)²+35.3672P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1797
_refine_ls_wR_factor_ref         0.2050
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4801
_reflns_number_total             8134
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt02484b2.cif
_cod_data_source_block           1_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7717393--7717397.cif.'
_cod_original_cell_volume        4670.0(6)
_cod_database_code               7717397
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.726
_shelx_estimated_absorpt_t_min   0.697
_olex2_refinement_description
;
1. Restrained distances
 P2-F13 \\sim P2-F12
 with sigma of 0.02
 P2-F16 \\sim P2-F14
 with sigma of 0.02
 P2-F8 \\sim P2-F7
 with sigma of 0.02
 P2-F11 \\sim P2-F10
 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
F9 \\sim F14 \\sim F13 \\sim F11 \\sim F16 \\sim F12 \\sim F7 \\sim F15 \\sim
F8 \\sim F10: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
3. Rigid body (RIGU) restrains
 F12, F7, F10, F14, F9, P2, F15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 F13, F8, F11, F16, F9, P2, F15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Others
 Sof(F12)=Sof(F14)=Sof(F7)=Sof(F10)=1-FVAR(1)
 Sof(F13)=Sof(F16)=Sof(F8)=Sof(F11)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C21(H21A,H21B), C38(H38A,H38B), C37(H37A,H37B)
5.b Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), C28(H28), C34(H34), C33(H33), C36(H36), C35(H35), C26(H26),
 C25(H25), C27(H27)
5.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C20(H20A,H20B,H20C), C8(H8A,H8B,H8C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C7(H7A,H7B,H7C), C17(H17A,H17B,H17C), C9(H9A,H9B,
 H9C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Co2 Co 0.45889(10) 0.58594(3) 0.21768(10) 0.0272(3) Uani 1 1 d . . . . .
Co1 Co 0.61068(11) 0.63893(3) 0.10526(11) 0.0301(3) Uani 1 1 d . . . . .
S2 S 0.6153(2) 0.57933(6) 0.1562(2) 0.0302(5) Uani 1 1 d . . . . .
S1 S 0.4285(2) 0.64119(6) 0.1289(2) 0.0312(5) Uani 1 1 d . . . . .
P1 P 1.1509(2) 0.55362(7) 0.5845(2) 0.0378(6) Uani 1 1 d . . . . .
P2 P 0.0763(2) 0.71170(7) -0.0649(3) 0.0506(8) Uani 1 1 d D . . . .
Cl3 Cl 1.1663(3) 0.46988(8) 0.2444(3) 0.0741(9) Uani 1 1 d . . . . .
Cl4 Cl 0.9711(3) 0.52526(9) 0.1189(3) 0.0741(9) Uani 1 1 d . . . . .
Cl2 Cl 0.0929(4) 0.76163(11) 0.2745(4) 0.1097(14) Uani 1 1 d . . . . .
Cl1 Cl 0.2728(6) 0.70475(11) 0.4073(5) 0.139(2) Uani 1 1 d . . . . .
F2 F 1.1961(5) 0.52036(15) 0.5291(5) 0.0481(14) Uani 1 1 d . . . . .
F1 F 1.1048(5) 0.58711(16) 0.6390(5) 0.0553(16) Uani 1 1 d . . . . .
F5 F 1.0067(5) 0.53889(16) 0.5254(6) 0.0661(18) Uani 1 1 d . . . . .
F4 F 1.1826(7) 0.5301(2) 0.7025(5) 0.084(2) Uani 1 1 d . . . . .
F6 F 1.1110(7) 0.57561(17) 0.4611(6) 0.082(2) Uani 1 1 d . . . . .
N1 N 0.6957(7) 0.66029(19) 0.2691(7) 0.0358(18) Uani 1 1 d . . . . .
N3 N 0.6910(8) 0.6943(2) 0.4159(7) 0.044(2) Uani 1 1 d . . . . .
H3 H 0.660526 0.707375 0.457043 0.053 Uiso 1 1 calc R U . . .
N2 N 0.6026(6) 0.5969(2) 0.3761(7) 0.0375(19) Uani 1 1 d . . . . .
N4 N 0.8118(7) 0.5957(2) 0.5137(7) 0.0371(19) Uani 1 1 d . . . . .
H4 H 0.895386 0.590948 0.546589 0.045 Uiso 1 1 calc R U . . .
C11 C 0.3723(7) 0.5527(2) 0.2995(8) 0.027(2) Uani 1 1 d . . . . .
F3 F 1.2923(6) 0.5688(2) 0.6412(8) 0.106(3) Uani 1 1 d . . . . .
C22 C 0.6199(9) 0.6780(2) 0.3075(9) 0.039(2) Uani 1 1 d . . . . .
F9 F 0.1006(9) 0.67751(18) -0.1249(6) 0.101(3) Uani 1 1 d . . . . .
C15 C 0.2823(7) 0.5791(2) 0.2241(8) 0.0260(19) Uani 1 1 d . . . . .
C14 C 0.2648(8) 0.5733(2) 0.1020(8) 0.033(2) Uani 1 1 d . . . . .
C12 C 0.4183(8) 0.5322(2) 0.2266(8) 0.029(2) Uani 1 1 d . . . . .
C3 C 0.6109(9) 0.6247(3) -0.0579(8) 0.039(2) Uani 1 1 d . . . . .
C13 C 0.3457(7) 0.5445(2) 0.1026(8) 0.031(2) Uani 1 1 d . . . . .
C28 C 0.9387(8) 0.6512(2) 0.3695(9) 0.042(2) Uani 1 1 d . . . . .
H28 H 0.941006 0.636424 0.307171 0.051 Uiso 1 1 calc R U . . .
C23 C 0.8225(8) 0.6657(2) 0.3596(9) 0.037(2) Uani 1 1 d . . . . .
C30 C 0.7228(9) 0.5870(2) 0.4002(8) 0.034(2) Uani 1 1 d . . . . .
C31 C 0.6176(8) 0.6143(3) 0.4843(8) 0.034(2) Uani 1 1 d . . . . .
C24 C 0.8202(10) 0.6870(2) 0.4512(10) 0.045(3) Uani 1 1 d . . . . .
C29 C 0.7505(8) 0.5694(3) 0.3052(7) 0.034(2) Uani 1 1 d . . . . .
H29A H 0.759592 0.542834 0.318632 0.041 Uiso 1 1 calc R U . . .
H29B H 0.832287 0.578934 0.309445 0.041 Uiso 1 1 calc R U . . .
C34 C 0.7040(9) 0.6494(3) 0.7051(9) 0.046(3) Uani 1 1 d . . . . .
H34 H 0.732375 0.662309 0.779827 0.055 Uiso 1 1 calc R U . . .
C1 C 0.6972(9) 0.6776(2) 0.0408(8) 0.036(2) Uani 1 1 d . . . . .
C4 C 0.5075(9) 0.6486(3) -0.0803(9) 0.044(3) Uani 1 1 d . . . . .
C16 C 0.4140(8) 0.5458(3) 0.4323(8) 0.038(2) Uani 1 1 d . . . . .
H16A H 0.508766 0.544151 0.476110 0.057 Uiso 1 1 calc R U . . .
H16B H 0.375842 0.523033 0.441591 0.057 Uiso 1 1 calc R U . . .
H16C H 0.384523 0.565799 0.466066 0.057 Uiso 1 1 calc R U . . .
C21 C 0.4789(8) 0.6774(2) 0.2423(9) 0.041(2) Uani 1 1 d . . . . .
H21A H 0.445886 0.700941 0.201443 0.049 Uiso 1 1 calc R U . . .
H21B H 0.442963 0.673053 0.300479 0.049 Uiso 1 1 calc R U . . .
C33 C 0.7944(9) 0.6312(3) 0.6829(9) 0.048(3) Uani 1 1 d . . . . .
H33 H 0.883485 0.630498 0.740734 0.058 Uiso 1 1 calc R U . . .
F15 F 0.0536(9) 0.7476(2) -0.0112(9) 0.132(3) Uani 1 1 d . U . . .
C20 C 0.2054(8) 0.6047(2) 0.2580(9) 0.042(2) Uani 1 1 d . . . . .
H20A H 0.245708 0.607275 0.347156 0.062 Uiso 1 1 calc R U . . .
H20B H 0.116837 0.595474 0.228353 0.062 Uiso 1 1 calc R U . . .
H20C H 0.202794 0.628431 0.220817 0.062 Uiso 1 1 calc R U . . .
C8 C 0.5994(11) 0.5877(3) -0.1147(9) 0.055(3) Uani 1 1 d . . . . .
H8A H 0.668188 0.571927 -0.057249 0.083 Uiso 1 1 calc R U . . .
H8B H 0.608065 0.590061 -0.190153 0.083 Uiso 1 1 calc R U . . .
H8C H 0.514610 0.577262 -0.133628 0.083 Uiso 1 1 calc R U . . .
F13 F 0.0241(13) 0.7371(3) -0.1739(10) 0.087(4) Uani 0.671(9) 1 d D U P A 1
C18 C 0.3517(10) 0.5284(3) -0.0068(9) 0.049(3) Uani 1 1 d . . . . .
H18A H 0.317282 0.545846 -0.074395 0.073 Uiso 1 1 calc R U . . .
H18B H 0.299751 0.506177 -0.031243 0.073 Uiso 1 1 calc R U . . .
H18C H 0.441996 0.522721 0.013826 0.073 Uiso 1 1 calc R U . . .
C36 C 0.5275(9) 0.6327(3) 0.5098(9) 0.048(3) Uani 1 1 d . . . . .
H36 H 0.438428 0.633561 0.451805 0.057 Uiso 1 1 calc R U . . .
C32 C 0.7472(9) 0.6138(3) 0.5702(9) 0.037(2) Uani 1 1 d . . . . .
C19 C 0.1669(8) 0.5922(3) -0.0093(8) 0.042(2) Uani 1 1 d . . . . .
H19A H 0.160069 0.617604 0.010232 0.063 Uiso 1 1 calc R U . . .
H19B H 0.082400 0.580330 -0.037218 0.063 Uiso 1 1 calc R U . . .
H19C H 0.193895 0.590990 -0.074140 0.063 Uiso 1 1 calc R U . . .
C2 C 0.7289(8) 0.6422(3) 0.0182(8) 0.043(3) Uani 1 1 d . . . . .
F16 F 0.2191(10) 0.7266(3) 0.0005(14) 0.104(5) Uani 0.671(9) 1 d D U P A 1
C35 C 0.5722(10) 0.6497(3) 0.6226(9) 0.050(3) Uani 1 1 d . . . . .
H35 H 0.512600 0.661709 0.643747 0.060 Uiso 1 1 calc R U . . .
C7 C 0.8625(9) 0.6268(3) 0.0537(9) 0.054(3) Uani 1 1 d . . . . .
H7A H 0.928087 0.641845 0.117827 0.081 Uiso 1 1 calc R U . . .
H7B H 0.878672 0.626527 -0.018034 0.081 Uiso 1 1 calc R U . . .
H7C H 0.867296 0.602001 0.084130 0.081 Uiso 1 1 calc R U . . .
C5 C 0.5604(10) 0.6814(3) -0.0181(10) 0.053(3) Uani 1 1 d . . . . .
C17 C 0.5074(9) 0.5008(2) 0.2682(9) 0.043(2) Uani 1 1 d . . . . .
H17A H 0.540498 0.496025 0.208978 0.064 Uiso 1 1 calc R U . . .
H17B H 0.460866 0.479473 0.274955 0.064 Uiso 1 1 calc R U . . .
H17C H 0.580147 0.506265 0.348172 0.064 Uiso 1 1 calc R U . . .
C9 C 0.3673(9) 0.6413(4) -0.1635(9) 0.064(3) Uani 1 1 d . . . . .
H9A H 0.348709 0.615588 -0.159098 0.097 Uiso 1 1 calc R U . . .
H9B H 0.348080 0.647478 -0.247714 0.097 Uiso 1 1 calc R U . . .
H9C H 0.313384 0.656104 -0.138298 0.097 Uiso 1 1 calc R U . . .
C26 C 1.0466(10) 0.6816(3) 0.5676(11) 0.064(3) Uani 1 1 d . . . . .
H26 H 1.125332 0.686768 0.638501 0.077 Uiso 1 1 calc R U . . .
C25 C 0.9328(10) 0.6957(3) 0.5585(10) 0.056(3) Uani 1 1 d . . . . .
H25 H 0.930450 0.710375 0.620977 0.068 Uiso 1 1 calc R U . . .
C27 C 1.0507(10) 0.6597(3) 0.4757(10) 0.055(3) Uani 1 1 d . . . . .
H27 H 1.131788 0.650501 0.486330 0.066 Uiso 1 1 calc R U . . .
C6 C 0.7932(12) 0.7070(3) 0.1096(11) 0.070(4) Uani 1 1 d . . . . .
H6A H 0.753577 0.724142 0.143791 0.105 Uiso 1 1 calc R U . . .
H6B H 0.818093 0.719923 0.053686 0.105 Uiso 1 1 calc R U . . .
H6C H 0.870437 0.696210 0.176052 0.105 Uiso 1 1 calc R U . . .
F8 F 0.1238(13) 0.6864(3) 0.0598(9) 0.078(3) Uani 0.671(9) 1 d D U P A 1
C38 C 1.0582(11) 0.5022(4) 0.2514(10) 0.078(4) Uani 1 1 d . . . . .
H38A H 0.997026 0.489690 0.274723 0.094 Uiso 1 1 calc R U . . .
H38B H 1.108176 0.519808 0.316775 0.094 Uiso 1 1 calc R U . . .
C10 C 0.4855(13) 0.7154(3) -0.0186(13) 0.086(4) Uani 1 1 d . . . . .
H10A H 0.400346 0.708563 -0.026407 0.129 Uiso 1 1 calc R U . . .
H10B H 0.474168 0.730851 -0.087734 0.129 Uiso 1 1 calc R U . . .
H10C H 0.533976 0.728735 0.058029 0.129 Uiso 1 1 calc R U . . .
F11 F -0.0620(10) 0.6961(4) -0.1031(17) 0.111(4) Uani 0.671(9) 1 d D U P A 1
C37 C 0.2241(12) 0.7362(4) 0.2923(12) 0.097(5) Uani 1 1 d . . . . .
H37A H 0.202690 0.723453 0.214418 0.116 Uiso 1 1 calc R U . . .
H37B H 0.297618 0.752697 0.308668 0.116 Uiso 1 1 calc R U . . .
F12 F -0.0616(17) 0.7133(8) -0.1828(19) 0.084(6) Uani 0.329(9) 1 d D U P A 2
F14 F 0.123(2) 0.7308(5) -0.1626(17) 0.061(4) Uani 0.329(9) 1 d D U P A 2
F7 F 0.2239(19) 0.7092(8) 0.031(2) 0.089(6) Uani 0.329(9) 1 d D U P A 2
F10 F 0.008(3) 0.7003(7) 0.004(2) 0.084(5) Uani 0.329(9) 1 d D U P A 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S1 Co2 S2 84.78(8) . . ?
N2 Co2 S2 84.6(2) . . ?
N2 Co2 S1 99.8(2) . . ?
N2 Co2 C11 91.1(3) . . ?
N2 Co2 C15 113.1(3) . . ?
N2 Co2 C14 153.1(3) . . ?
N2 Co2 C12 105.1(3) . . ?
N2 Co2 C13 144.8(3) . . ?
C11 Co2 S2 136.1(2) . . ?
C11 Co2 S1 138.7(2) . . ?
C15 Co2 S2 159.8(2) . . ?
C15 Co2 S1 100.8(2) . . ?
C15 Co2 C11 39.4(3) . . ?
C14 Co2 S2 121.6(3) . . ?
C14 Co2 S1 89.4(2) . . ?
C14 Co2 C11 66.2(3) . . ?
C14 Co2 C15 40.0(3) . . ?
C12 Co2 S2 98.7(2) . . ?
C12 Co2 S1 155.1(3) . . ?
C12 Co2 C11 40.7(3) . . ?
C12 Co2 C15 68.3(3) . . ?
C12 Co2 C14 67.7(3) . . ?
C12 Co2 C13 40.6(3) . . ?
C13 Co2 S2 92.6(2) . . ?
C13 Co2 S1 114.9(2) . . ?
C13 Co2 C11 66.9(3) . . ?
C13 Co2 C15 67.4(3) . . ?
C13 Co2 C14 39.6(3) . . ?
S1 Co1 S2 84.65(8) . . ?
N1 Co1 S2 99.7(2) . . ?
N1 Co1 S1 85.1(2) . . ?
N1 Co1 C3 150.9(3) . . ?
N1 Co1 C1 90.7(3) . . ?
N1 Co1 C4 146.3(4) . . ?
N1 Co1 C2 111.3(3) . . ?
N1 Co1 C5 106.9(4) . . ?
C3 Co1 S2 90.6(3) . . ?
C3 Co1 S1 123.1(3) . . ?
C3 Co1 C1 66.2(4) . . ?
C3 Co1 C2 39.7(3) . . ?
C1 Co1 S2 143.6(3) . . ?
C1 Co1 S1 131.2(3) . . ?
C4 Co1 S2 113.5(3) . . ?
C4 Co1 S1 91.8(2) . . ?
C4 Co1 C3 39.8(3) . . ?
C4 Co1 C1 66.5(4) . . ?
C4 Co1 C2 67.0(3) . . ?
C4 Co1 C5 40.0(4) . . ?
C2 Co1 S2 104.9(3) . . ?
C2 Co1 S1 158.7(3) . . ?
C2 Co1 C1 39.6(4) . . ?
C5 Co1 S2 153.4(3) . . ?
C5 Co1 S1 95.7(3) . . ?
C5 Co1 C3 66.9(4) . . ?
C5 Co1 C1 39.8(4) . . ?
C5 Co1 C2 67.2(4) . . ?
Co2 S2 Co1 93.73(8) . . ?
C29 S2 Co2 97.9(3) . . ?
C29 S2 Co1 111.8(3) . . ?
Co1 S1 Co2 94.56(9) . . ?
C21 S1 Co2 111.5(3) . . ?
C21 S1 Co1 97.6(3) . . ?
F2 P1 F1 179.6(4) . . ?
F5 P1 F2 91.3(3) . . ?
F5 P1 F1 88.5(3) . . ?
F5 P1 F6 87.2(4) . . ?
F4 P1 F2 89.2(3) . . ?
F4 P1 F1 91.2(3) . . ?
F4 P1 F5 89.3(4) . . ?
F4 P1 F6 176.2(4) . . ?
F6 P1 F2 89.8(3) . . ?
F6 P1 F1 89.8(3) . . ?
F3 P1 F2 89.1(3) . . ?
F3 P1 F1 91.1(3) . . ?
F3 P1 F5 179.0(5) . . ?
F3 P1 F4 91.7(5) . . ?
F3 P1 F6 91.9(5) . . ?
F9 P2 F15 176.0(5) . . ?
F9 P2 F16 98.7(7) . . ?
F9 P2 F8 85.7(4) . . ?
F9 P2 F11 86.5(7) . . ?
F9 P2 F12 85.5(9) . . ?
F9 P2 F14 79.2(7) . . ?
F9 P2 F7 86.4(11) . . ?
F15 P2 F16 80.0(7) . . ?
F15 P2 F8 97.8(5) . . ?
F15 P2 F11 95.4(7) . . ?
F15 P2 F12 93.5(9) . . ?
F15 P2 F14 96.8(8) . . ?
F15 P2 F7 93.9(11) . . ?
F13 P2 F9 99.7(6) . . ?
F13 P2 F15 76.8(6) . . ?
F13 P2 F16 97.9(7) . . ?
F13 P2 F8 173.8(7) . . ?
F13 P2 F11 91.2(7) . . ?
F16 P2 F8 84.0(6) . . ?
F11 P2 F16 168.5(9) . . ?
F11 P2 F8 86.1(7) . . ?
F12 P2 F14 81.5(13) . . ?
F7 P2 F12 167.8(14) . . ?
F7 P2 F14 87.9(13) . . ?
F10 P2 F9 107.8(11) . . ?
F10 P2 F15 76.0(11) . . ?
F10 P2 F12 87.5(15) . . ?
F10 P2 F14 166.5(15) . . ?
F10 P2 F7 103.8(16) . . ?
C22 N1 Co1 117.1(6) . . ?
C22 N1 C23 105.6(7) . . ?
C23 N1 Co1 136.9(6) . . ?
C22 N3 H3 126.0 . . ?
C22 N3 C24 108.1(8) . . ?
C24 N3 H3 126.0 . . ?
C30 N2 Co2 119.8(6) . . ?
C30 N2 C31 104.3(7) . . ?
C31 N2 Co2 135.9(6) . . ?
C30 N4 H4 126.3 . . ?
C30 N4 C32 107.4(7) . . ?
C32 N4 H4 126.3 . . ?
C15 C11 Co2 69.9(4) . . ?
C15 C11 C12 108.8(7) . . ?
C15 C11 C16 127.1(7) . . ?
C12 C11 Co2 67.7(4) . . ?
C12 C11 C16 124.1(7) . . ?
C16 C11 Co2 129.1(6) . . ?
N1 C22 N3 111.3(8) . . ?
N1 C22 C21 123.2(8) . . ?
N3 C22 C21 125.4(8) . . ?
C11 C15 Co2 70.6(4) . . ?
C11 C15 C14 107.1(7) . . ?
C11 C15 C20 127.7(8) . . ?
C14 C15 Co2 69.8(4) . . ?
C14 C15 C20 124.8(8) . . ?
C20 C15 Co2 130.8(6) . . ?
C15 C14 Co2 70.2(5) . . ?
C15 C14 C19 125.2(8) . . ?
C13 C14 Co2 70.1(5) . . ?
C13 C14 C15 109.1(7) . . ?
C13 C14 C19 125.4(8) . . ?
C19 C14 Co2 130.7(6) . . ?
C11 C12 Co2 71.7(5) . . ?
C11 C12 C17 126.2(8) . . ?
C13 C12 Co2 71.1(5) . . ?
C13 C12 C11 106.8(7) . . ?
C13 C12 C17 126.4(8) . . ?
C17 C12 Co2 129.3(6) . . ?
C4 C3 Co1 69.8(6) . . ?
C4 C3 C8 125.9(9) . . ?
C4 C3 C2 108.8(9) . . ?
C8 C3 Co1 129.6(6) . . ?
C2 C3 Co1 70.8(5) . . ?
C2 C3 C8 125.0(9) . . ?
C14 C13 Co2 70.3(5) . . ?
C14 C13 C12 108.0(8) . . ?
C14 C13 C18 126.4(8) . . ?
C12 C13 Co2 68.4(5) . . ?
C12 C13 C18 125.5(8) . . ?
C18 C13 Co2 128.7(6) . . ?
C23 C28 H28 121.9 . . ?
C27 C28 H28 121.9 . . ?
C27 C28 C23 116.3(9) . . ?
N1 C23 C28 129.5(9) . . ?
C24 C23 N1 109.0(8) . . ?
C24 C23 C28 121.4(9) . . ?
N2 C30 N4 113.2(8) . . ?
N2 C30 C29 121.3(8) . . ?
N4 C30 C29 125.5(8) . . ?
C36 C31 N2 130.4(8) . . ?
C32 C31 N2 109.7(8) . . ?
C32 C31 C36 119.8(9) . . ?
N3 C24 C23 106.0(9) . . ?
N3 C24 C25 131.3(10) . . ?
C23 C24 C25 122.6(10) . . ?
S2 C29 H29A 110.2 . . ?
S2 C29 H29B 110.2 . . ?
C30 C29 S2 107.8(6) . . ?
C30 C29 H29A 110.2 . . ?
C30 C29 H29B 110.2 . . ?
H29A C29 H29B 108.5 . . ?
C33 C34 H34 118.6 . . ?
C33 C34 C35 122.8(9) . . ?
C35 C34 H34 118.6 . . ?
C2 C1 Co1 70.0(5) . . ?
C2 C1 C6 125.6(9) . . ?
C5 C1 Co1 69.2(5) . . ?
C5 C1 C2 108.7(8) . . ?
C5 C1 C6 125.7(9) . . ?
C6 C1 Co1 129.5(7) . . ?
C3 C4 Co1 70.4(5) . . ?
C3 C4 C5 108.1(8) . . ?
C3 C4 C9 125.6(10) . . ?
C5 C4 Co1 70.2(6) . . ?
C5 C4 C9 126.2(9) . . ?
C9 C4 Co1 128.6(7) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
S1 C21 H21A 109.9 . . ?
S1 C21 H21B 109.9 . . ?
C22 C21 S1 108.8(6) . . ?
C22 C21 H21A 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
C34 C33 H33 122.1 . . ?
C34 C33 C32 115.8(9) . . ?
C32 C33 H33 122.1 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C31 C36 H36 121.1 . . ?
C35 C36 C31 117.8(9) . . ?
C35 C36 H36 121.1 . . ?
C31 C32 N4 105.4(8) . . ?
C31 C32 C33 123.3(9) . . ?
C33 C32 N4 131.0(8) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C3 C2 Co1 69.5(5) . . ?
C3 C2 C1 107.0(8) . . ?
C3 C2 C7 124.8(10) . . ?
C1 C2 Co1 70.4(5) . . ?
C1 C2 C7 127.8(9) . . ?
C7 C2 Co1 130.7(6) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.5(9) . . ?
C36 C35 H35 119.8 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C1 C5 Co1 71.1(5) . . ?
C1 C5 C10 125.8(11) . . ?
C4 C5 Co1 69.9(5) . . ?
C4 C5 C1 107.5(8) . . ?
C4 C5 C10 126.7(10) . . ?
C10 C5 Co1 126.6(8) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C25 C26 H26 118.8 . . ?
C25 C26 C27 122.3(10) . . ?
C27 C26 H26 118.8 . . ?
C24 C25 H25 122.1 . . ?
C26 C25 C24 115.9(11) . . ?
C26 C25 H25 122.1 . . ?
C28 C27 C26 121.6(10) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Cl3 C38 H38A 108.6 . . ?
Cl3 C38 H38B 108.6 . . ?
Cl4 C38 Cl3 114.7(7) . . ?
Cl4 C38 H38A 108.6 . . ?
Cl4 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Cl2 C37 H37A 108.6 . . ?
Cl2 C37 H37B 108.6 . . ?
Cl1 C37 Cl2 114.6(7) . . ?
Cl1 C37 H37A 108.6 . . ?
Cl1 C37 H37B 108.6 . . ?
H37A C37 H37B 107.6 . . ?
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
Co2 S2 2.271(2) . ?
Co2 S1 2.262(2) . ?
Co2 N2 1.941(7) . ?
Co2 C11 2.107(8) . ?
Co2 C15 2.098(7) . ?
Co2 C14 2.092(8) . ?
Co2 C12 2.053(8) . ?
Co2 C13 2.089(8) . ?
Co1 S2 2.280(2) . ?
Co1 S1 2.259(2) . ?
Co1 N1 1.958(7) . ?
Co1 C3 2.073(9) . ?
Co1 C1 2.095(9) . ?
Co1 C4 2.066(10) . ?
Co1 C2 2.090(9) . ?
Co1 C5 2.070(9) . ?
S2 C29 1.823(9) . ?
S1 C21 1.822(9) . ?
P1 F2 1.602(6) . ?
P1 F1 1.608(6) . ?
P1 F5 1.584(6) . ?
P1 F4 1.582(6) . ?
P1 F6 1.590(6) . ?
P1 F3 1.561(6) . ?
P2 F9 1.549(7) . ?
P2 F15 1.556(7) . ?
P2 F13 1.515(9) . ?
P2 F16 1.572(10) . ?
P2 F8 1.659(10) . ?
P2 F11 1.559(10) . ?
P2 F12 1.594(16) . ?
P2 F14 1.683(14) . ?
P2 F7 1.576(18) . ?
P2 F10 1.457(15) . ?
Cl3 C38 1.757(12) . ?
Cl4 C38 1.702(11) . ?
Cl2 C37 1.713(13) . ?
Cl1 C37 1.713(14) . ?
N1 C22 1.341(11) . ?
N1 C23 1.395(10) . ?
N3 H3 0.8800 . ?
N3 C22 1.346(11) . ?
N3 C24 1.381(12) . ?
N2 C30 1.335(10) . ?
N2 C31 1.414(11) . ?
N4 H4 0.8800 . ?
N4 C30 1.342(10) . ?
N4 C32 1.400(11) . ?
C11 C15 1.419(11) . ?
C11 C12 1.447(11) . ?
C11 C16 1.496(11) . ?
C22 C21 1.455(12) . ?
C15 C14 1.434(12) . ?
C15 C20 1.483(11) . ?
C14 C13 1.416(12) . ?
C14 C19 1.492(12) . ?
C12 C13 1.437(11) . ?
C12 C17 1.477(11) . ?
C3 C4 1.409(12) . ?
C3 C8 1.509(13) . ?
C3 C2 1.413(13) . ?
C13 C18 1.498(12) . ?
C28 H28 0.9500 . ?
C28 C23 1.400(12) . ?
C28 C27 1.393(13) . ?
C23 C24 1.383(13) . ?
C30 C29 1.492(11) . ?
C31 C36 1.395(12) . ?
C31 C32 1.386(12) . ?
C24 C25 1.405(13) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C34 H34 0.9500 . ?
C34 C33 1.371(13) . ?
C34 C35 1.396(13) . ?
C1 C2 1.417(13) . ?
C1 C5 1.416(13) . ?
C1 C6 1.508(13) . ?
C4 C5 1.413(14) . ?
C4 C9 1.497(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C33 H33 0.9500 . ?
C33 C32 1.391(13) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C36 H36 0.9500 . ?
C36 C35 1.389(13) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C2 C7 1.515(12) . ?
C35 H35 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C5 C10 1.524(13) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C26 H26 0.9500 . ?
C26 C25 1.373(15) . ?
C26 C27 1.405(15) . ?
C25 H25 0.9500 . ?
C27 H27 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
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
Co2 S2 C29 C30 -27.5(6) . . . . ?
Co2 S1 C21 C22 73.1(7) . . . . ?
Co2 N2 C30 N4 -178.9(6) . . . . ?
Co2 N2 C30 C29 3.4(11) . . . . ?
Co2 N2 C31 C36 -5.5(16) . . . . ?
Co2 N2 C31 C32 179.7(7) . . . . ?
Co2 C11 C15 C14 60.6(5) . . . . ?
Co2 C11 C15 C20 -127.1(8) . . . . ?
Co2 C11 C12 C13 -62.8(5) . . . . ?
Co2 C11 C12 C17 125.7(9) . . . . ?
Co2 C15 C14 C13 59.5(6) . . . . ?
Co2 C15 C14 C19 -126.4(8) . . . . ?
Co2 C14 C13 C12 58.1(5) . . . . ?
Co2 C14 C13 C18 -124.1(8) . . . . ?
Co2 C12 C13 C14 -59.3(6) . . . . ?
Co2 C12 C13 C18 122.9(8) . . . . ?
Co1 S2 C29 C30 69.8(6) . . . . ?
Co1 S1 C21 C22 -24.9(7) . . . . ?
Co1 N1 C22 N3 -174.1(6) . . . . ?
Co1 N1 C22 C21 9.6(12) . . . . ?
Co1 N1 C23 C28 -12.0(16) . . . . ?
Co1 N1 C23 C24 172.2(7) . . . . ?
Co1 C3 C4 C5 60.3(7) . . . . ?
Co1 C3 C4 C9 -124.1(9) . . . . ?
Co1 C3 C2 C1 -60.7(6) . . . . ?
Co1 C3 C2 C7 126.0(9) . . . . ?
Co1 C1 C2 C3 60.2(6) . . . . ?
Co1 C1 C2 C7 -126.9(9) . . . . ?
Co1 C1 C5 C4 -60.7(7) . . . . ?
Co1 C1 C5 C10 122.0(11) . . . . ?
Co1 C4 C5 C1 61.5(7) . . . . ?
Co1 C4 C5 C10 -121.2(10) . . . . ?
N1 C22 C21 S1 13.6(12) . . . . ?
N1 C23 C24 N3 0.3(10) . . . . ?
N1 C23 C24 C25 176.6(9) . . . . ?
N3 C22 C21 S1 -162.2(8) . . . . ?
N3 C24 C25 C26 175.1(10) . . . . ?
N2 C30 C29 S2 19.4(10) . . . . ?
N2 C31 C36 C35 -175.1(9) . . . . ?
N2 C31 C32 N4 -0.3(10) . . . . ?
N2 C31 C32 C33 175.1(9) . . . . ?
N4 C30 C29 S2 -158.0(7) . . . . ?
C11 C15 C14 Co2 -61.1(5) . . . . ?
C11 C15 C14 C13 -1.6(9) . . . . ?
C11 C15 C14 C19 172.4(8) . . . . ?
C11 C12 C13 Co2 63.2(5) . . . . ?
C11 C12 C13 C14 3.9(9) . . . . ?
C11 C12 C13 C18 -173.9(8) . . . . ?
C22 N1 C23 C28 175.4(10) . . . . ?
C22 N1 C23 C24 -0.4(10) . . . . ?
C22 N3 C24 C23 -0.2(10) . . . . ?
C22 N3 C24 C25 -176.0(10) . . . . ?
C15 C11 C12 Co2 57.8(5) . . . . ?
C15 C11 C12 C13 -5.0(9) . . . . ?
C15 C11 C12 C17 -176.4(8) . . . . ?
C15 C14 C13 Co2 -59.6(6) . . . . ?
C15 C14 C13 C12 -1.5(9) . . . . ?
C15 C14 C13 C18 176.3(8) . . . . ?
C12 C11 C15 Co2 -56.5(5) . . . . ?
C12 C11 C15 C14 4.1(9) . . . . ?
C12 C11 C15 C20 176.4(8) . . . . ?
C3 C4 C5 Co1 -60.4(6) . . . . ?
C3 C4 C5 C1 1.0(11) . . . . ?
C3 C4 C5 C10 178.3(10) . . . . ?
C28 C23 C24 N3 -175.8(8) . . . . ?
C28 C23 C24 C25 0.4(15) . . . . ?
C23 N1 C22 N3 0.3(10) . . . . ?
C23 N1 C22 C21 -176.1(9) . . . . ?
C23 C28 C27 C26 0.1(15) . . . . ?
C23 C24 C25 C26 -0.1(15) . . . . ?
C30 N2 C31 C36 174.3(10) . . . . ?
C30 N2 C31 C32 -0.6(10) . . . . ?
C30 N4 C32 C31 1.1(10) . . . . ?
C30 N4 C32 C33 -173.8(10) . . . . ?
C31 N2 C30 N4 1.3(10) . . . . ?
C31 N2 C30 C29 -176.4(8) . . . . ?
C31 C36 C35 C34 2.4(15) . . . . ?
C24 N3 C22 N1 -0.1(11) . . . . ?
C24 N3 C22 C21 176.2(9) . . . . ?
C34 C33 C32 N4 173.9(9) . . . . ?
C34 C33 C32 C31 -0.2(14) . . . . ?
C4 C3 C2 Co1 59.7(6) . . . . ?
C4 C3 C2 C1 -1.0(10) . . . . ?
C4 C3 C2 C7 -174.2(8) . . . . ?
C16 C11 C15 Co2 124.5(8) . . . . ?
C16 C11 C15 C14 -175.0(8) . . . . ?
C16 C11 C15 C20 -2.7(13) . . . . ?
C16 C11 C12 Co2 -123.1(8) . . . . ?
C16 C11 C12 C13 174.1(7) . . . . ?
C16 C11 C12 C17 2.7(13) . . . . ?
C33 C34 C35 C36 -3.2(16) . . . . ?
C20 C15 C14 Co2 126.3(8) . . . . ?
C20 C15 C14 C13 -174.2(7) . . . . ?
C20 C15 C14 C19 -0.1(13) . . . . ?
C8 C3 C4 Co1 124.9(9) . . . . ?
C8 C3 C4 C5 -174.8(9) . . . . ?
C8 C3 C4 C9 0.9(15) . . . . ?
C8 C3 C2 Co1 -125.5(9) . . . . ?
C8 C3 C2 C1 173.8(8) . . . . ?
C8 C3 C2 C7 0.6(14) . . . . ?
C36 C31 C32 N4 -175.8(8) . . . . ?
C36 C31 C32 C33 -0.4(15) . . . . ?
C32 N4 C30 N2 -1.6(10) . . . . ?
C32 N4 C30 C29 176.1(8) . . . . ?
C32 C31 C36 C35 -0.7(14) . . . . ?
C19 C14 C13 Co2 126.4(8) . . . . ?
C19 C14 C13 C12 -175.5(8) . . . . ?
C19 C14 C13 C18 2.3(13) . . . . ?
C2 C3 C4 Co1 -60.4(6) . . . . ?
C2 C3 C4 C5 0.0(11) . . . . ?
C2 C3 C4 C9 175.6(9) . . . . ?
C2 C1 C5 Co1 59.0(6) . . . . ?
C2 C1 C5 C4 -1.7(11) . . . . ?
C2 C1 C5 C10 -179.0(9) . . . . ?
C35 C34 C33 C32 2.0(15) . . . . ?
C5 C1 C2 Co1 -58.5(7) . . . . ?
C5 C1 C2 C3 1.7(10) . . . . ?
C5 C1 C2 C7 174.6(9) . . . . ?
C17 C12 C13 Co2 -125.3(9) . . . . ?
C17 C12 C13 C14 175.4(8) . . . . ?
C17 C12 C13 C18 -2.5(14) . . . . ?
C9 C4 C5 Co1 124.0(10) . . . . ?
C9 C4 C5 C1 -174.5(9) . . . . ?
C9 C4 C5 C10 2.8(16) . . . . ?
C25 C26 C27 C28 0.2(17) . . . . ?
C27 C28 C23 N1 -175.7(9) . . . . ?
C27 C28 C23 C24 -0.4(14) . . . . ?
C27 C26 C25 C24 -0.2(16) . . . . ?
C6 C1 C2 Co1 124.9(10) . . . . ?
C6 C1 C2 C3 -174.9(9) . . . . ?
C6 C1 C2 C7 -2.0(15) . . . . ?
C6 C1 C5 Co1 -124.4(10) . . . . ?
C6 C1 C5 C4 174.9(9) . . . . ?
C6 C1 C5 C10 -2.4(16) . . . . ?
