#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:01:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179227 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/47/4314735.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_4314735
loop_
_publ_author_name
'Jianfeng Li'
'Sebastian Merkel'
'Julian Henn'
'Kathrin Meindl'
'Alexander Döring'
'Herbert W. Roesky'
'Rajendra S. Ghadwal'
'Dietmar Stalke'
_publ_contact_author_address
;Institut für Anorganische Chemie
Georg August Universität Göttingen
Tammannstrasse 4
37077 Göttingen, Germany
;
_publ_contact_author_email       hroesky@gwdg.de
_publ_contact_author_name        'Prof. Dr. Dr. h. c. mult. Herbert W. Roesky'
_publ_contact_author_phone       +49-551-393001
_publ_section_title
;
 Lewis-Base-Stabilized Dichlorosilylene: A Two-Electron σ-Donor Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              775
_journal_page_last               777
_journal_paper_doi               10.1021/ic9023162
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C69 H96 Cl7 Co2 N4 O6 Si2'
_chemical_formula_weight         1499.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.831(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9910(15)
_cell_length_b                   29.253(4)
_cell_length_c                   25.866(4)
_cell_measurement_reflns_used    9810
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.6775
_cell_measurement_theta_min      2.161
_cell_volume                     7532.9(19)
_computing_cell_refinement       'Bruker AXS SAINT (v 7.46a, Bruker 2007)'
_computing_data_collection       'APEX2 (v2.2-0, Bruker 2007)'
_computing_data_reduction        'Bruker AXS SAINT (v 7.46a, Bruker 2007)'
_computing_molecular_graphics    'Bruker AXS SHELXTL (v 6.3.1, Bruker 2004)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart Apex with D8-Goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'INCOATEC Quazar multilayer mirror optics'
_diffrn_radiation_source         'micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            134253
_diffrn_reflns_theta_full        25.74
_diffrn_reflns_theta_max         25.74
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.9923
_exptl_absorpt_correction_T_min  0.8611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS 2008/2'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3148
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     960
_refine_ls_number_reflns         15050
_refine_ls_number_restraints     426
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0389P)²+18.8390P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1271
_reflns_number_gt                14022
_reflns_number_total             15050
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9023162_si_002.cif
_cod_data_source_block           twin5
_cod_database_code               4314735
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.30260(5) 0.985132(18) 0.17277(2) 0.01898(12) Uani 1 1 d . . .
N1 N 0.2992(3) 0.83020(11) 0.09865(13) 0.0221(7) Uani 1 1 d . . .
N2 N 0.1316(3) 0.85343(11) 0.13869(13) 0.0208(7) Uani 1 1 d . . .
N3 N 0.2758(4) 1.08686(12) 0.28974(13) 0.0237(7) Uani 1 1 d . . .
N4 N 0.3308(3) 1.14115(11) 0.23921(12) 0.0197(7) Uani 1 1 d . . .
O1 O 0.5829(3) 1.00944(11) 0.19899(13) 0.0320(7) Uani 1 1 d . . .
O2 O 0.2390(3) 0.99029(11) 0.06122(12) 0.0338(7) Uani 1 1 d . . .
O3 O 0.1202(3) 0.95836(11) 0.24961(13) 0.0339(8) Uani 1 1 d . . .
Si1 Si 0.36813(11) 0.91325(4) 0.16171(4) 0.0191(2) Uani 1 1 d . . .
Si2 Si 0.23862(11) 1.05772(4) 0.17915(4) 0.0177(2) Uani 1 1 d . . .
C1 C 0.2583(4) 0.86486(13) 0.12873(15) 0.0200(8) Uani 1 1 d . . .
C2 C 0.0951(4) 0.81215(14) 0.11621(17) 0.0252(9) Uani 1 1 d . . .
H2 H 0.0118 0.7968 0.1180 0.030 Uiso 1 1 calc R . .
C3 C 0.2005(4) 0.79771(15) 0.09106(17) 0.0266(9) Uani 1 1 d . . .
H3 H 0.2053 0.7702 0.0718 0.032 Uiso 1 1 calc R . .
C4 C 0.4208(4) 0.82558(14) 0.07137(16) 0.0233(8) Uani 1 1 d . . .
C5 C 0.5230(4) 0.79762(15) 0.09275(17) 0.0261(9) Uani 1 1 d . . .
C6 C 0.5255(5) 0.77641(15) 0.14652(17) 0.0294(9) Uani 1 1 d . . .
H6 H 0.4466 0.7883 0.1637 0.035 Uiso 1 1 calc R . .
C7 C 0.6537(5) 0.79021(16) 0.17956(18) 0.0333(10) Uani 1 1 d . . .
H7A H 0.6643 0.8235 0.1785 0.050 Uiso 1 1 calc R . .
H7B H 0.7314 0.7755 0.1658 0.050 Uiso 1 1 calc R . .
H7C H 0.6472 0.7804 0.2155 0.050 Uiso 1 1 calc R . .
C8 C 0.5132(6) 0.72455(16) 0.1429(2) 0.0390(11) Uani 1 1 d . . .
H8A H 0.5887 0.7122 0.1254 0.059 Uiso 1 1 calc R . .
H8B H 0.4286 0.7165 0.1232 0.059 Uiso 1 1 calc R . .
H8C H 0.5146 0.7116 0.1779 0.059 Uiso 1 1 calc R . .
C9 C 0.6306(5) 0.79004(16) 0.06211(17) 0.0307(10) Uani 1 1 d . . .
H9 H 0.7030 0.7710 0.0749 0.037 Uiso 1 1 calc R . .
C10 C 0.6327(5) 0.80980(16) 0.01358(18) 0.0334(10) Uani 1 1 d . . .
H10 H 0.7057 0.8038 -0.0067 0.040 Uiso 1 1 calc R . .
C11 C 0.5305(5) 0.83788(17) -0.00545(18) 0.0326(10) Uani 1 1 d . . .
H11 H 0.5348 0.8515 -0.0386 0.039 Uiso 1 1 calc R . .
C12 C 0.4199(5) 0.84695(16) 0.02269(17) 0.0289(10) Uani 1 1 d . . .
C13 C 0.3075(5) 0.87846(17) 0.00206(17) 0.0339(11) Uani 1 1 d . . .
H13 H 0.2609 0.8897 0.0323 0.041 Uiso 1 1 calc R . .
C14 C 0.2033(6) 0.8523(2) -0.0343(2) 0.0488(14) Uani 1 1 d . . .
H14A H 0.2476 0.8393 -0.0633 0.073 Uiso 1 1 calc R . .
H14B H 0.1324 0.8734 -0.0477 0.073 Uiso 1 1 calc R . .
H14C H 0.1638 0.8276 -0.0149 0.073 Uiso 1 1 calc R . .
C15 C 0.3607(6) 0.92024(18) -0.0254(2) 0.0448(13) Uani 1 1 d . . .
H15A H 0.2867 0.9415 -0.0345 0.067 Uiso 1 1 calc R . .
H15B H 0.4000 0.9104 -0.0571 0.067 Uiso 1 1 calc R . .
H15C H 0.4296 0.9355 -0.0023 0.067 Uiso 1 1 calc R . .
C16 C 0.0346(4) 0.87868(13) 0.16735(16) 0.0211(8) Uani 1 1 d . . .
C17 C 0.0152(4) 0.86460(13) 0.21747(17) 0.0223(9) Uani 1 1 d . . .
C18 C 0.0987(4) 0.82773(15) 0.24604(17) 0.0254(9) Uani 1 1 d . . .
H18 H 0.1781 0.8213 0.2261 0.031 Uiso 1 1 calc R . .
C19 C 0.1507(5) 0.84330(16) 0.30097(18) 0.0323(10) Uani 1 1 d . . .
H19A H 0.0743 0.8493 0.3214 0.048 Uiso 1 1 calc R . .
H19B H 0.2038 0.8713 0.2987 0.048 Uiso 1 1 calc R . .
H19C H 0.2069 0.8192 0.3178 0.048 Uiso 1 1 calc R . .
C20 C 0.0176(5) 0.78354(15) 0.24876(19) 0.0323(10) Uani 1 1 d . . .
H20A H -0.0062 0.7721 0.2136 0.048 Uiso 1 1 calc R . .
H20B H -0.0646 0.7897 0.2658 0.048 Uiso 1 1 calc R . .
H20C H 0.0715 0.7606 0.2687 0.048 Uiso 1 1 calc R . .
C21 C -0.0891(4) 0.88498(14) 0.24191(17) 0.0252(9) Uani 1 1 d . . .
H21 H -0.1067 0.8756 0.2758 0.030 Uiso 1 1 calc R . .
C22 C -0.1666(4) 0.91873(15) 0.21706(18) 0.0300(10) Uani 1 1 d . . .
H22 H -0.2365 0.9326 0.2342 0.036 Uiso 1 1 calc R . .
C23 C -0.1438(4) 0.93255(15) 0.16736(18) 0.0273(9) Uani 1 1 d . . .
H23 H -0.1964 0.9566 0.1515 0.033 Uiso 1 1 calc R . .
C24 C -0.0454(4) 0.91203(14) 0.14000(16) 0.0223(8) Uani 1 1 d . . .
C25 C -0.0333(5) 0.92324(15) 0.08336(17) 0.0285(10) Uani 1 1 d . . .
H25 H 0.0632 0.9200 0.0765 0.034 Uiso 1 1 calc R . .
C26 C -0.1155(5) 0.88934(17) 0.04799(18) 0.0365(11) Uani 1 1 d . . .
H26A H -0.1073 0.8974 0.0116 0.055 Uiso 1 1 calc R . .
H26B H -0.2101 0.8908 0.0552 0.055 Uiso 1 1 calc R . .
H26C H -0.0814 0.8583 0.0546 0.055 Uiso 1 1 calc R . .
C27 C -0.0779(5) 0.97246(16) 0.06913(19) 0.0348(11) Uani 1 1 d . . .
H27A H -0.0346 0.9938 0.0945 0.052 Uiso 1 1 calc R . .
H27B H -0.1757 0.9749 0.0694 0.052 Uiso 1 1 calc R . .
H27C H -0.0518 0.9799 0.0344 0.052 Uiso 1 1 calc R . .
C28 C 0.2897(4) 1.09656(13) 0.23894(15) 0.0189(8) Uani 1 1 d . . .
C29 C 0.3086(5) 1.12469(15) 0.32039(16) 0.0276(9) Uani 1 1 d . . .
H29 H 0.3072 1.1265 0.3570 0.033 Uiso 1 1 calc R . .
C30 C 0.3428(5) 1.15828(15) 0.28890(16) 0.0258(9) Uani 1 1 d . . .
H30 H 0.3702 1.1883 0.2990 0.031 Uiso 1 1 calc R . .
C31 C 0.3616(4) 1.16990(14) 0.19617(15) 0.0200(8) Uani 1 1 d . . .
C32 C 0.2593(4) 1.19644(13) 0.17163(15) 0.0211(8) Uani 1 1 d . . .
C33 C 0.1167(4) 1.19548(15) 0.18711(17) 0.0257(9) Uani 1 1 d . . .
H33 H 0.1082 1.1686 0.2105 0.031 Uiso 1 1 calc R . .
C34 C 0.0121(5) 1.18993(17) 0.14051(18) 0.0335(10) Uani 1 1 d . . .
H34A H 0.0350 1.1633 0.1200 0.050 Uiso 1 1 calc R . .
H34B H 0.0114 1.2174 0.1188 0.050 Uiso 1 1 calc R . .
H34C H -0.0770 1.1855 0.1529 0.050 Uiso 1 1 calc R . .
C35 C 0.0892(5) 1.23862(19) 0.2179(2) 0.0408(12) Uani 1 1 d . . .
H35A H 0.0980 1.2656 0.1960 0.061 Uiso 1 1 calc R . .
H35B H 0.1539 1.2406 0.2485 0.061 Uiso 1 1 calc R . .
H35C H -0.0021 1.2373 0.2291 0.061 Uiso 1 1 calc R . .
C36 C 0.2928(5) 1.22436(13) 0.13107(16) 0.0241(9) Uani 1 1 d . . .
H36 H 0.2251 1.2421 0.1126 0.029 Uiso 1 1 calc R . .
C37 C 0.4241(5) 1.22650(14) 0.11736(17) 0.0276(9) Uani 1 1 d . . .
H37 H 0.4453 1.2455 0.0894 0.033 Uiso 1 1 calc R . .
C38 C 0.5234(5) 1.20138(14) 0.14388(16) 0.0264(9) Uani 1 1 d . . .
H38 H 0.6129 1.2039 0.1344 0.032 Uiso 1 1 calc R . .
C39 C 0.4964(4) 1.17239(14) 0.18417(15) 0.0231(9) Uani 1 1 d . . .
C40 C 0.6088(4) 1.14422(15) 0.21214(17) 0.0263(9) Uani 1 1 d . . .
H40 H 0.5681 1.1235 0.2373 0.032 Uiso 1 1 calc R . .
C41 C 0.6782(4) 1.11462(14) 0.17337(17) 0.0275(9) Uani 1 1 d . . .
H41A H 0.7235 1.1344 0.1497 0.041 Uiso 1 1 calc R . .
H41B H 0.6111 1.0958 0.1534 0.041 Uiso 1 1 calc R . .
H41C H 0.7445 1.0947 0.1922 0.041 Uiso 1 1 calc R . .
C42 C 0.7101(5) 1.17564(17) 0.24285(19) 0.0361(11) Uani 1 1 d . . .
H42A H 0.6643 1.1929 0.2686 0.054 Uiso 1 1 calc R . .
H42B H 0.7489 1.1970 0.2190 0.054 Uiso 1 1 calc R . .
H42C H 0.7818 1.1571 0.2605 0.054 Uiso 1 1 calc R . .
C43 C 0.2389(5) 1.04415(15) 0.31453(15) 0.0266(9) Uani 1 1 d . . .
C44 C 0.1051(5) 1.03894(15) 0.32588(17) 0.0287(9) Uani 1 1 d . . .
C45 C -0.0034(5) 1.07402(16) 0.31171(17) 0.0308(10) Uani 1 1 d . . .
H45 H 0.0291 1.0952 0.2852 0.037 Uiso 1 1 calc R . .
C46 C -0.1329(5) 1.0510(2) 0.2888(2) 0.0426(13) Uani 1 1 d . . .
H46A H -0.1687 1.0314 0.3151 0.064 Uiso 1 1 calc R . .
H46B H -0.1135 1.0324 0.2588 0.064 Uiso 1 1 calc R . .
H46C H -0.1994 1.0744 0.2778 0.064 Uiso 1 1 calc R . .
C47 C -0.0316(6) 1.10185(17) 0.3597(2) 0.0413(12) Uani 1 1 d . . .
H47A H 0.0498 1.1183 0.3726 0.062 Uiso 1 1 calc R . .
H47B H -0.0589 1.0812 0.3868 0.062 Uiso 1 1 calc R . .
H47C H -0.1038 1.1238 0.3505 0.062 Uiso 1 1 calc R . .
C48 C 0.0750(5) 0.99998(16) 0.35406(17) 0.0318(10) Uani 1 1 d . . .
H48 H -0.0145 0.9951 0.3626 0.038 Uiso 1 1 calc R . .
C49 C 0.1737(6) 0.96847(17) 0.36971(19) 0.0395(12) Uani 1 1 d . . .
H49 H 0.1507 0.9420 0.3882 0.047 Uiso 1 1 calc R . .
C50 C 0.3041(5) 0.97511(17) 0.35881(18) 0.0356(11) Uani 1 1 d . . .
H50 H 0.3705 0.9533 0.3702 0.043 Uiso 1 1 calc R . .
C51 C 0.3414(5) 1.01379(16) 0.33093(16) 0.0304(10) Uani 1 1 d . . .
C52 C 0.4885(5) 1.02270(16) 0.32374(18) 0.0309(10) Uani 1 1 d . . .
H52 H 0.4936 1.0418 0.2919 0.037 Uiso 1 1 calc R . .
C53 C 0.5664(5) 0.97847(17) 0.3168(2) 0.0390(11) Uani 1 1 d . . .
H53A H 0.5161 0.9590 0.2912 0.058 Uiso 1 1 calc R . .
H53B H 0.5789 0.9623 0.3501 0.058 Uiso 1 1 calc R . .
H53C H 0.6543 0.9857 0.3047 0.058 Uiso 1 1 calc R . .
C54 C 0.5527(6) 1.0496(2) 0.3704(2) 0.0454(13) Uani 1 1 d . . .
H54A H 0.5494 1.0313 0.4020 0.068 Uiso 1 1 calc R . .
H54B H 0.5034 1.0782 0.3741 0.068 Uiso 1 1 calc R . .
H54C H 0.6465 1.0565 0.3649 0.068 Uiso 1 1 calc R . .
C55 C 0.4719(4) 1.00006(14) 0.19007(16) 0.0230(9) Uani 1 1 d . . .
C56 C 0.2592(4) 0.98811(14) 0.10496(16) 0.0241(9) Uani 1 1 d . . .
C57 C 0.1918(4) 0.96846(13) 0.21937(16) 0.0245(9) Uani 1 1 d . . .
Cl1 Cl 0.53413(10) 0.91252(4) 0.11935(4) 0.0288(2) Uani 1 1 d . . .
Cl2 Cl 0.43070(11) 0.87788(3) 0.22943(4) 0.0286(2) Uani 1 1 d . . .
Cl3 Cl 0.29637(12) 1.09553(3) 0.11716(4) 0.0279(2) Uani 1 1 d . . .
Cl4 Cl 0.03227(10) 1.06803(4) 0.17543(4) 0.0284(2) Uani 1 1 d . . .
Co2 Co 0.5051(10) 0.8148(4) 0.5407(4) 0.046(2) Uani 0.342(12) 1 d PDU A 1
O4 O 0.3618(9) 0.8601(4) 0.5186(4) 0.024(3) Uani 0.342(12) 1 d PDU A 1
C80 C 0.224(2) 0.8607(15) 0.5427(9) 0.101(7) Uani 0.342(12) 1 d PDU A 1
H80A H 0.2311 0.8786 0.5754 0.121 Uiso 0.342(12) 1 calc PR A 1
H80B H 0.1962 0.8292 0.5508 0.121 Uiso 0.342(12) 1 calc PR A 1
C81 C 0.115(3) 0.8833(13) 0.5023(10) 0.121(6) Uani 0.342(12) 1 d PDU A 1
H81A H 0.0231 0.8723 0.5061 0.146 Uiso 0.342(12) 1 calc PR A 1
H81B H 0.1179 0.9171 0.5032 0.146 Uiso 0.342(12) 1 calc PR A 1
C82 C 0.172(3) 0.8648(12) 0.4578(9) 0.114(4) Uani 0.342(12) 1 d PDU A 1
H82A H 0.1354 0.8812 0.4262 0.137 Uiso 0.342(12) 1 calc PR A 1
H82B H 0.1471 0.8321 0.4539 0.137 Uiso 0.342(12) 1 calc PR A 1
C83 C 0.326(3) 0.8698(18) 0.4646(9) 0.125(8) Uani 0.342(12) 1 d PDU A 1
H83A H 0.3693 0.8479 0.4422 0.149 Uiso 0.342(12) 1 calc PR A 1
H83B H 0.3531 0.9012 0.4558 0.149 Uiso 0.342(12) 1 calc PR A 1
Cl5 Cl 0.4126(16) 0.8042(6) 0.6169(5) 0.080(4) Uani 0.342(12) 1 d PDU A 1
Cl6 Cl 0.4675(18) 0.7558(6) 0.4867(7) 0.072(5) Uani 0.342(12) 1 d PDU A 1
Cl7 Cl 0.7101(12) 0.8411(6) 0.5491(5) 0.113(6) Uani 0.342(12) 1 d PDU A 1
Co2' Co 0.4893(4) 0.80636(15) 0.54700(17) 0.0261(6) Uani 0.658(12) 1 d PDU A 2
O4' O 0.3847(17) 0.8591(5) 0.5146(6) 0.177(8) Uani 0.658(12) 1 d PDU A 2
C80' C 0.2413(17) 0.8704(9) 0.5345(7) 0.129(7) Uani 0.658(12) 1 d PDU A 2
H80C H 0.2206 0.9032 0.5284 0.155 Uiso 0.658(12) 1 calc PR A 2
H80D H 0.2442 0.8647 0.5723 0.155 Uiso 0.658(12) 1 calc PR A 2
C81' C 0.1252(15) 0.8400(6) 0.5054(5) 0.113(4) Uani 0.658(12) 1 d PDU A 2
H81C H 0.1233 0.8084 0.5189 0.135 Uiso 0.658(12) 1 calc PR A 2
H81D H 0.0353 0.8542 0.5054 0.135 Uiso 0.658(12) 1 calc PR A 2
C82' C 0.1796(16) 0.8427(6) 0.4556(5) 0.114(4) Uani 0.658(12) 1 d PDU A 2
H82C H 0.1260 0.8648 0.4335 0.137 Uiso 0.658(12) 1 calc PR A 2
H82D H 0.1720 0.8125 0.4386 0.137 Uiso 0.658(12) 1 calc PR A 2
C83' C 0.3282(17) 0.8579(9) 0.4602(6) 0.130(6) Uani 0.658(12) 1 d PDU A 2
H83C H 0.3812 0.8364 0.4405 0.156 Uiso 0.658(12) 1 calc PR A 2
H83D H 0.3353 0.8887 0.4447 0.156 Uiso 0.658(12) 1 calc PR A 2
Cl5' Cl 0.4139(6) 0.79296(16) 0.62467(18) 0.0313(8) Uani 0.658(12) 1 d PDU A 2
Cl6' Cl 0.4495(6) 0.7490(3) 0.4908(3) 0.0374(11) Uani 0.658(12) 1 d PDU A 2
Cl7' Cl 0.7041(4) 0.82911(13) 0.55344(19) 0.0404(9) Uani 0.658(12) 1 d PDU A 2
O50 O 0.3692(18) 0.1270(4) 0.5987(6) 0.127(6) Uani 0.410(10) 1 d PGU B 1
C90 C 0.2269(18) 0.1335(7) 0.5891(8) 0.141(8) Uani 0.410(10) 1 d PGU B 1
H90A H 0.1789 0.1043 0.5933 0.169 Uiso 0.410(10) 1 calc PR B 1
H90B H 0.2044 0.1450 0.5535 0.169 Uiso 0.410(10) 1 calc PR B 1
C91 C 0.188(2) 0.1683(9) 0.6287(10) 0.153(8) Uani 0.410(10) 1 d PGU B 1
H91A H 0.1194 0.1898 0.6133 0.183 Uiso 0.410(10) 1 calc PR B 1
H91B H 0.1530 0.1531 0.6591 0.183 Uiso 0.410(10) 1 calc PR B 1
C92 C 0.320(3) 0.1925(6) 0.6438(9) 0.142(7) Uani 0.410(10) 1 d PGU B 1
H92A H 0.3354 0.2175 0.6192 0.170 Uiso 0.410(10) 1 calc PR B 1
H92B H 0.3211 0.2053 0.6793 0.170 Uiso 0.410(10) 1 calc PR B 1
C93 C 0.4206(19) 0.1556(7) 0.6412(7) 0.129(7) Uani 0.410(10) 1 d PGU B 1
H93A H 0.5093 0.1685 0.6346 0.155 Uiso 0.410(10) 1 calc PR B 1
H93B H 0.4301 0.1381 0.6740 0.155 Uiso 0.410(10) 1 calc PR B 1
O50' O 0.1784(11) 0.1437(4) 0.6354(4) 0.139(5) Uani 0.590(10) 1 d PGU B 2
C90' C 0.3145(13) 0.1394(5) 0.6583(5) 0.156(6) Uani 0.590(10) 1 d PGU B 2
H90C H 0.3403 0.1068 0.6619 0.187 Uiso 0.590(10) 1 calc PR B 2
H90D H 0.3240 0.1538 0.6931 0.187 Uiso 0.590(10) 1 calc PR B 2
C91' C 0.4009(9) 0.1636(6) 0.6218(6) 0.141(6) Uani 0.590(10) 1 d PGU B 2
H91C H 0.4247 0.1432 0.5935 0.169 Uiso 0.590(10) 1 calc PR B 2
H91D H 0.4842 0.1757 0.6404 0.169 Uiso 0.590(10) 1 calc PR B 2
C92' C 0.3082(15) 0.2020(4) 0.6015(6) 0.130(6) Uani 0.590(10) 1 d PGU B 2
H92C H 0.3072 0.2274 0.6268 0.156 Uiso 0.590(10) 1 calc PR B 2
H92D H 0.3344 0.2140 0.5680 0.156 Uiso 0.590(10) 1 calc PR B 2
C93' C 0.1738(11) 0.1779(4) 0.5950(4) 0.087(4) Uani 0.590(10) 1 d PGU B 2
H93C H 0.0997 0.1998 0.5989 0.105 Uiso 0.590(10) 1 calc PR B 2
H93D H 0.1603 0.1635 0.5603 0.105 Uiso 0.590(10) 1 calc PR B 2
O51 O 0.072(3) 0.0425(11) 0.5256(10) 0.331(12) Uani 0.449(13) 1 d PGU C 1
C94 C 0.138(4) 0.0005(10) 0.5425(10) 0.326(14) Uani 0.449(13) 1 d PGU C 1
H94A H 0.0719 -0.0247 0.5442 0.392 Uiso 0.449(13) 1 calc PR C 1
H94B H 0.1871 0.0043 0.5770 0.392 Uiso 0.449(13) 1 calc PR C 1
C95 C 0.233(4) -0.0090(10) 0.5017(11) 0.290(13) Uani 0.449(13) 1 d PGU C 1
H95A H 0.1866 -0.0246 0.4713 0.348 Uiso 0.449(13) 1 calc PR C 1
H95B H 0.3094 -0.0281 0.5157 0.348 Uiso 0.449(13) 1 calc PR C 1
C96 C 0.280(3) 0.0383(12) 0.4874(9) 0.274(11) Uani 0.449(13) 1 d PGU C 1
H96A H 0.2858 0.0408 0.4495 0.329 Uiso 0.449(13) 1 calc PR C 1
H96B H 0.3689 0.0452 0.5053 0.329 Uiso 0.449(13) 1 calc PR C 1
C97 C 0.173(4) 0.0706(9) 0.5051(11) 0.310(12) Uani 0.449(13) 1 d PGU C 1
H97A H 0.2131 0.0916 0.5322 0.372 Uiso 0.449(13) 1 calc PR C 1
H97B H 0.1337 0.0890 0.4755 0.372 Uiso 0.449(13) 1 calc PR C 1
O51' O 0.280(3) 0.0379(9) 0.4694(6) 0.320(11) Uani 0.551(13) 1 d PGU C 2
C94' C 0.395(3) 0.0459(10) 0.5053(9) 0.296(12) Uani 0.551(13) 1 d PGU C 2
H94C H 0.4483 0.0717 0.4935 0.356 Uiso 0.551(13) 1 calc PR C 2
H94D H 0.4522 0.0183 0.5085 0.356 Uiso 0.551(13) 1 calc PR C 2
C95' C 0.340(3) 0.0570(10) 0.5569(6) 0.273(12) Uani 0.551(13) 1 d PGU C 2
H95C H 0.3962 0.0429 0.5861 0.327 Uiso 0.551(13) 1 calc PR C 2
H95D H 0.3363 0.0904 0.5625 0.327 Uiso 0.551(13) 1 calc PR C 2
C96' C 0.201(3) 0.0362(10) 0.5512(7) 0.305(12) Uani 0.551(13) 1 d PGU C 2
H96C H 0.2034 0.0033 0.5602 0.366 Uiso 0.551(13) 1 calc PR C 2
H96D H 0.1397 0.0522 0.5734 0.366 Uiso 0.551(13) 1 calc PR C 2
C97' C 0.158(3) 0.0431(10) 0.4954(9) 0.298(11) Uani 0.551(13) 1 d PGU C 2
H97C H 0.0907 0.0200 0.4830 0.357 Uiso 0.551(13) 1 calc PR C 2
H97D H 0.1195 0.0739 0.4893 0.357 Uiso 0.551(13) 1 calc PR C 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
N N 0.0061 0.0033 '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
C55 Co1 C57 122.35(19) . . ?
C55 Co1 C56 112.79(19) . . ?
C57 Co1 C56 124.85(19) . . ?
C55 Co1 Si2 91.15(13) . . ?
C57 Co1 Si2 90.71(13) . . ?
C56 Co1 Si2 88.78(14) . . ?
C55 Co1 Si1 88.88(13) . . ?
C57 Co1 Si1 91.99(13) . . ?
C56 Co1 Si1 88.24(14) . . ?
Si2 Co1 Si1 176.78(5) . . ?
C1 N1 C3 110.5(4) . . ?
C1 N1 C4 130.3(3) . . ?
C3 N1 C4 118.9(3) . . ?
C1 N2 C2 110.8(3) . . ?
C1 N2 C16 129.7(3) . . ?
C2 N2 C16 119.4(3) . . ?
C28 N3 C29 110.3(3) . . ?
C28 N3 C43 130.5(3) . . ?
C29 N3 C43 119.1(3) . . ?
C28 N4 C30 110.8(3) . . ?
C28 N4 C31 129.3(3) . . ?
C30 N4 C31 119.9(3) . . ?
C1 Si1 Cl1 102.04(13) . . ?
C1 Si1 Cl2 97.21(12) . . ?
Cl1 Si1 Cl2 104.09(7) . . ?
C1 Si1 Co1 125.64(13) . . ?
Cl1 Si1 Co1 109.64(6) . . ?
Cl2 Si1 Co1 115.54(6) . . ?
C28 Si2 Cl3 103.39(13) . . ?
C28 Si2 Cl4 98.30(13) . . ?
Cl3 Si2 Cl4 103.11(6) . . ?
C28 Si2 Co1 123.78(13) . . ?
Cl3 Si2 Co1 110.58(6) . . ?
Cl4 Si2 Co1 115.13(6) . . ?
N2 C1 N1 104.8(3) . . ?
N2 C1 Si1 126.7(3) . . ?
N1 C1 Si1 127.4(3) . . ?
C3 C2 N2 106.7(4) . . ?
C3 C2 H2 126.6 . . ?
N2 C2 H2 126.6 . . ?
C2 C3 N1 107.1(4) . . ?
C2 C3 H3 126.4 . . ?
N1 C3 H3 126.4 . . ?
C5 C4 C12 124.7(4) . . ?
C5 C4 N1 118.4(4) . . ?
C12 C4 N1 116.6(4) . . ?
C4 C5 C9 116.1(4) . . ?
C4 C5 C6 124.1(4) . . ?
C9 C5 C6 119.8(4) . . ?
C5 C6 C8 110.8(4) . . ?
C5 C6 C7 110.5(4) . . ?
C8 C6 C7 110.8(4) . . ?
C5 C6 H6 108.2 . . ?
C8 C6 H6 108.2 . . ?
C7 C6 H6 108.2 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C5 121.1(4) . . ?
C10 C9 H9 119.5 . . ?
C5 C9 H9 119.5 . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 121.6(4) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C4 115.9(4) . . ?
C11 C12 C13 121.8(4) . . ?
C4 C12 C13 122.3(4) . . ?
C12 C13 C15 111.9(4) . . ?
C12 C13 C14 110.8(4) . . ?
C15 C13 C14 110.8(4) . . ?
C12 C13 H13 107.7 . . ?
C15 C13 H13 107.7 . . ?
C14 C13 H13 107.7 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C24 123.7(4) . . ?
C17 C16 N2 118.2(4) . . ?
C24 C16 N2 117.7(4) . . ?
C16 C17 C21 117.6(4) . . ?
C16 C17 C18 123.5(4) . . ?
C21 C17 C18 118.9(4) . . ?
C17 C18 C20 110.6(4) . . ?
C17 C18 C19 111.6(4) . . ?
C20 C18 C19 110.3(4) . . ?
C17 C18 H18 108.1 . . ?
C20 C18 H18 108.1 . . ?
C19 C18 H18 108.1 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C17 120.4(4) . . ?
C22 C21 H21 119.8 . . ?
C17 C21 H21 119.8 . . ?
C21 C22 C23 120.7(4) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C24 121.6(4) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C16 115.9(4) . . ?
C23 C24 C25 120.9(4) . . ?
C16 C24 C25 123.1(4) . . ?
C24 C25 C26 110.7(4) . . ?
C24 C25 C27 112.8(4) . . ?
C26 C25 C27 109.3(4) . . ?
C24 C25 H25 108.0 . . ?
C26 C25 H25 108.0 . . ?
C27 C25 H25 108.0 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 N4 104.4(3) . . ?
N3 C28 Si2 127.0(3) . . ?
N4 C28 Si2 128.1(3) . . ?
C30 C29 N3 107.4(4) . . ?
C30 C29 H29 126.3 . . ?
N3 C29 H29 126.3 . . ?
C29 C30 N4 107.1(4) . . ?
C29 C30 H30 126.4 . . ?
N4 C30 H30 126.4 . . ?
C32 C31 C39 123.3(4) . . ?
C32 C31 N4 118.6(4) . . ?
C39 C31 N4 117.9(4) . . ?
C36 C32 C31 117.2(4) . . ?
C36 C32 C33 120.1(4) . . ?
C31 C32 C33 122.7(4) . . ?
C32 C33 C35 109.7(4) . . ?
C32 C33 C34 112.9(4) . . ?
C35 C33 C34 110.8(4) . . ?
C32 C33 H33 107.7 . . ?
C35 C33 H33 107.7 . . ?
C34 C33 H33 107.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 C32 120.7(4) . . ?
C37 C36 H36 119.6 . . ?
C32 C36 H36 119.6 . . ?
C38 C37 C36 120.5(4) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 121.7(4) . . ?
C37 C38 H38 119.1 . . ?
C39 C38 H38 119.1 . . ?
C38 C39 C31 116.5(4) . . ?
C38 C39 C40 120.3(4) . . ?
C31 C39 C40 123.1(4) . . ?
C39 C40 C41 110.5(4) . . ?
C39 C40 C42 110.4(4) . . ?
C41 C40 C42 111.1(4) . . ?
C39 C40 H40 108.2 . . ?
C41 C40 H40 108.2 . . ?
C42 C40 H40 108.2 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C51 C43 C44 123.8(4) . . ?
C51 C43 N3 118.1(4) . . ?
C44 C43 N3 117.7(4) . . ?
C48 C44 C43 116.7(4) . . ?
C48 C44 C45 119.8(4) . . ?
C43 C44 C45 123.5(4) . . ?
C44 C45 C47 109.9(4) . . ?
C44 C45 C46 111.0(4) . . ?
C47 C45 C46 109.9(4) . . ?
C44 C45 H45 108.6 . . ?
C47 C45 H45 108.6 . . ?
C46 C45 H45 108.6 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C44 121.0(5) . . ?
C49 C48 H48 119.5 . . ?
C44 C48 H48 119.5 . . ?
C50 C49 C48 120.8(5) . . ?
C50 C49 H49 119.6 . . ?
C48 C49 H49 119.6 . . ?
C49 C50 C51 121.1(5) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 H50 119.5 . . ?
C43 C51 C50 116.7(4) . . ?
C43 C51 C52 123.1(4) . . ?
C50 C51 C52 120.0(4) . . ?
C51 C52 C53 112.1(4) . . ?
C51 C52 C54 109.7(4) . . ?
C53 C52 C54 110.0(4) . . ?
C51 C52 H52 108.3 . . ?
C53 C52 H52 108.3 . . ?
C54 C52 H52 108.3 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O1 C55 Co1 176.9(4) . . ?
O2 C56 Co1 176.1(4) . . ?
O3 C57 Co1 179.0(4) . . ?
O4 Co2 Cl7 116.0(6) . . ?
O4 Co2 Cl6 104.7(7) . . ?
Cl7 Co2 Cl6 116.3(7) . . ?
O4 Co2 Cl5 90.2(7) . . ?
Cl7 Co2 Cl5 114.1(6) . . ?
Cl6 Co2 Cl5 112.3(6) . . ?
C83 O4 C80 103.2(13) . . ?
C83 O4 Co2 121.5(15) . . ?
C80 O4 Co2 121.9(13) . . ?
O4 C80 C81 108.5(17) . . ?
O4 C80 H80A 110.0 . . ?
C81 C80 H80A 110.0 . . ?
O4 C80 H80B 110.0 . . ?
C81 C80 H80B 110.0 . . ?
H80A C80 H80B 108.4 . . ?
C82 C81 C80 94.6(16) . . ?
C82 C81 H81A 112.8 . . ?
C80 C81 H81A 112.8 . . ?
C82 C81 H81B 112.8 . . ?
C80 C81 H81B 112.8 . . ?
H81A C81 H81B 110.3 . . ?
C81 C82 C83 109(2) . . ?
C81 C82 H82A 109.9 . . ?
C83 C82 H82A 109.9 . . ?
C81 C82 H82B 109.9 . . ?
C83 C82 H82B 109.9 . . ?
H82A C82 H82B 108.3 . . ?
O4 C83 C82 104.9(15) . . ?
O4 C83 H83A 110.8 . . ?
C82 C83 H83A 110.8 . . ?
O4 C83 H83B 110.8 . . ?
C82 C83 H83B 110.8 . . ?
H83A C83 H83B 108.8 . . ?
O4' Co2' Cl6' 104.3(5) . . ?
O4' Co2' Cl5' 107.8(6) . . ?
Cl6' Co2' Cl5' 113.4(3) . . ?
O4' Co2' Cl7' 105.4(6) . . ?
Cl6' Co2' Cl7' 112.9(2) . . ?
Cl5' Co2' Cl7' 112.2(3) . . ?
C83' O4' C80' 91.8(10) . . ?
C83' O4' Co2' 121.6(12) . . ?
C80' O4' Co2' 118.4(12) . . ?
O4' C80' C81' 111.5(16) . . ?
O4' C80' H80C 109.3 . . ?
C81' C80' H80C 109.3 . . ?
O4' C80' H80D 109.3 . . ?
C81' C80' H80D 109.3 . . ?
H80C C80' H80D 108.0 . . ?
C82' C81' C80' 94.4(13) . . ?
C82' C81' H81C 112.8 . . ?
C80' C81' H81C 112.8 . . ?
C82' C81' H81D 112.8 . . ?
C80' C81' H81D 112.9 . . ?
H81C C81' H81D 110.3 . . ?
C81' C82' C83' 112.4(12) . . ?
C81' C82' H82C 109.1 . . ?
C83' C82' H82C 109.1 . . ?
C81' C82' H82D 109.1 . . ?
C83' C82' H82D 109.1 . . ?
H82C C82' H82D 107.9 . . ?
O4' C83' C82' 111.6(12) . . ?
O4' C83' H83C 109.3 . . ?
C82' C83' H83C 109.3 . . ?
O4' C83' H83D 109.3 . . ?
C82' C83' H83D 109.3 . . ?
H83C C83' H83D 108.0 . . ?
C90 O50 C93 109.9 . . ?
O50 C90 C91 106.2 . . ?
O50 C90 H90A 110.5 . . ?
C91 C90 H90A 110.5 . . ?
O50 C90 H90B 110.5 . . ?
C91 C90 H90B 110.5 . . ?
H90A C90 H90B 108.7 . . ?
C92 C91 C90 102.8 . . ?
C92 C91 H91A 111.2 . . ?
C90 C91 H91A 111.2 . . ?
C92 C91 H91B 111.2 . . ?
C90 C91 H91B 111.2 . . ?
H91A C91 H91B 109.1 . . ?
C93 C92 C91 103.1 . . ?
C93 C92 H92A 111.1 . . ?
C91 C92 H92A 111.1 . . ?
C93 C92 H92B 111.1 . . ?
C91 C92 H92B 111.1 . . ?
H92A C92 H92B 109.1 . . ?
O50 C93 C92 104.9 . . ?
O50 C93 H93A 110.8 . . ?
C92 C93 H93A 110.8 . . ?
O50 C93 H93B 110.8 . . ?
C92 C93 H93B 110.8 . . ?
H93A C93 H93B 108.8 . . ?
C90' O50' C93' 109.1 . . ?
O50' C90' C91' 105.8 . . ?
O50' C90' H90C 110.6 . . ?
C91' C90' H90C 110.6 . . ?
O50' C90' H90D 110.6 . . ?
C91' C90' H90D 110.6 . . ?
H90C C90' H90D 108.7 . . ?
C90' C91' C92' 101.5 . . ?
C90' C91' H91C 111.5 . . ?
C92' C91' H91C 111.5 . . ?
C90' C91' H91D 111.5 . . ?
C92' C91' H91D 111.5 . . ?
H91C C91' H91D 109.3 . . ?
C93' C92' C91' 101.7 . . ?
C93' C92' H92C 111.4 . . ?
C91' C92' H92C 111.4 . . ?
C93' C92' H92D 111.4 . . ?
C91' C92' H92D 111.4 . . ?
H92C C92' H92D 109.3 . . ?
O50' C93' C92' 105.6 . . ?
O50' C93' H93C 110.6 . . ?
C92' C93' H93C 110.6 . . ?
O50' C93' H93D 110.6 . . ?
C92' C93' H93D 110.6 . . ?
H93C C93' H93D 108.8 . . ?
C97 O51 C94 106.3 . . ?
O51 C94 C95 104.1 . . ?
O51 C94 H94A 110.9 . . ?
C95 C94 H94A 110.9 . . ?
O51 C94 H94B 110.9 . . ?
C95 C94 H94B 110.9 . . ?
H94A C94 H94B 109.0 . . ?
C94 C95 C96 103.3 . . ?
C94 C95 H95A 111.1 . . ?
C96 C95 H95A 111.1 . . ?
C94 C95 H95B 111.1 . . ?
C96 C95 H95B 111.1 . . ?
H95A C95 H95B 109.1 . . ?
C95 C96 C97 104.7 . . ?
C95 C96 H96A 110.8 . . ?
C97 C96 H96A 110.8 . . ?
C95 C96 H96B 110.8 . . ?
C97 C96 H96B 110.8 . . ?
H96A C96 H96B 108.9 . . ?
O51 C97 C96 106.7 . . ?
O51 C97 H97A 110.4 . . ?
C96 C97 H97A 110.4 . . ?
O51 C97 H97B 110.4 . . ?
C96 C97 H97B 110.4 . . ?
H97A C97 H97B 108.6 . . ?
C94' O51' C97' 109.9 . . ?
O51' C94' C95' 106.2 . . ?
O51' C94' H94C 110.5 . . ?
C95' C94' H94C 110.5 . . ?
O51' C94' H94D 110.5 . . ?
C95' C94' H94D 110.5 . . ?
H94C C94' H94D 108.7 . . ?
C96' C95' C94' 102.8 . . ?
C96' C95' H95C 111.2 . . ?
C94' C95' H95C 111.2 . . ?
C96' C95' H95D 111.2 . . ?
C94' C95' H95D 111.2 . . ?
H95C C95' H95D 109.1 . . ?
C97' C96' C95' 103.1 . . ?
C97' C96' H96C 111.1 . . ?
C95' C96' H96C 111.1 . . ?
C97' C96' H96D 111.1 . . ?
C95' C96' H96D 111.1 . . ?
H96C C96' H96D 109.1 . . ?
O51' C97' C96' 104.9 . . ?
O51' C97' H97C 110.8 . . ?
C96' C97' H97C 110.8 . . ?
O51' C97' H97D 110.8 . . ?
C96' C97' H97D 110.8 . . ?
H97C C97' H97D 108.8 . . ?
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 C55 1.767(4) . ?
Co1 C57 1.773(5) . ?
Co1 C56 1.773(4) . ?
Co1 Si2 2.2276(12) . ?
Co1 Si1 2.2278(13) . ?
N1 C1 1.362(5) . ?
N1 C3 1.372(5) . ?
N1 C4 1.462(6) . ?
N2 C1 1.355(5) . ?
N2 C2 1.376(5) . ?
N2 C16 1.468(5) . ?
N3 C28 1.363(5) . ?
N3 C29 1.385(5) . ?
N3 C43 1.466(5) . ?
N4 C28 1.368(5) . ?
N4 C30 1.375(5) . ?
N4 C31 1.449(5) . ?
O1 C55 1.147(5) . ?
O2 C56 1.134(5) . ?
O3 C57 1.142(5) . ?
Si1 C1 1.944(4) . ?
Si1 Cl1 2.0635(16) . ?
Si1 Cl2 2.0846(15) . ?
Si2 C28 1.952(4) . ?
Si2 Cl3 2.0696(15) . ?
Si2 Cl4 2.0778(15) . ?
C2 C3 1.351(6) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.386(6) . ?
C4 C12 1.405(6) . ?
C5 C9 1.406(6) . ?
C5 C6 1.521(6) . ?
C6 C8 1.524(6) . ?
C6 C7 1.533(6) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.384(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.369(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.399(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.515(7) . ?
C13 C15 1.532(7) . ?
C13 C14 1.546(7) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.389(6) . ?
C16 C24 1.413(6) . ?
C17 C21 1.397(6) . ?
C17 C18 1.517(6) . ?
C18 C20 1.530(6) . ?
C18 C19 1.540(6) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.380(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.516(6) . ?
C25 C26 1.539(6) . ?
C25 C27 1.543(6) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 C30 1.339(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.393(6) . ?
C31 C39 1.409(6) . ?
C32 C36 1.392(6) . ?
C32 C33 1.512(6) . ?
C33 C35 1.530(6) . ?
C33 C34 1.537(6) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.389(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.371(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.387(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.525(6) . ?
C40 C41 1.534(6) . ?
C40 C42 1.538(6) . ?
C40 H40 1.0000 . ?
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 C51 1.394(7) . ?
C43 C44 1.401(7) . ?
C44 C48 1.399(6) . ?
C44 C45 1.515(7) . ?
C45 C47 1.531(7) . ?
C45 C46 1.534(7) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.385(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.370(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.409(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.519(6) . ?
C52 C53 1.529(7) . ?
C52 C54 1.535(6) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
Co2 O4 2.000(10) . ?
Co2 Cl7 2.181(11) . ?
Co2 Cl6 2.231(12) . ?
Co2 Cl5 2.267(11) . ?
O4 C83 1.440(17) . ?
O4 C80 1.56(2) . ?
C80 C81 1.58(2) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.43(2) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.54(2) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
Co2' O4' 2.007(10) . ?
Co2' Cl6' 2.234(5) . ?
Co2' Cl5' 2.239(5) . ?
Co2' Cl7' 2.240(5) . ?
O4' C83' 1.472(15) . ?
O4' C80' 1.597(18) . ?
C80' C81' 1.60(2) . ?
C80' H80C 0.9900 . ?
C80' H80D 0.9900 . ?
C81' C82' 1.439(16) . ?
C81' H81C 0.9900 . ?
C81' H81D 0.9900 . ?
C82' C83' 1.545(19) . ?
C82' H82C 0.9900 . ?
C82' H82D 0.9900 . ?
C83' H83C 0.9900 . ?
C83' H83D 0.9900 . ?
O50 C90 1.4344 . ?
O50 C93 1.4414 . ?
C90 C91 1.5178 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.5165 . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.4831 . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
O50' C90' 1.4422 . ?
O50' C93' 1.4467 . ?
C90' C91' 1.5088 . ?
C90' H90C 0.9900 . ?
C90' H90D 0.9900 . ?
C91' C92' 1.5217 . ?
C91' H91C 0.9900 . ?
C91' H91D 0.9900 . ?
C92' C93' 1.5131 . ?
C92' H92C 0.9900 . ?
C92' H92D 0.9900 . ?
C93' H93C 0.9900 . ?
C93' H93D 0.9900 . ?
O51 C97 1.4395 . ?
O51 C94 1.4436 . ?
C94 C95 1.5045 . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.5153 . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 C97 1.5236 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
O51' C94' 1.4344 . ?
O51' C97' 1.4413 . ?
C94' C95' 1.5178 . ?
C94' H94C 0.9900 . ?
C94' H94D 0.9900 . ?
C95' C96' 1.5165 . ?
C95' H95C 0.9900 . ?
C95' H95D 0.9900 . ?
C96' C97' 1.4831 . ?
C96' H96C 0.9900 . ?
C96' H96D 0.9900 . ?
C97' H97C 0.9900 . ?
C97' H97D 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
C55 Co1 Si1 C1 -168.1(2) . . . . ?
C57 Co1 Si1 C1 69.5(2) . . . . ?
C56 Co1 Si1 C1 -55.3(2) . . . . ?
Si2 Co1 Si1 C1 -77.5(9) . . . . ?
C55 Co1 Si1 Cl1 -46.25(15) . . . . ?
C57 Co1 Si1 Cl1 -168.58(14) . . . . ?
C56 Co1 Si1 Cl1 66.60(15) . . . . ?
Si2 Co1 Si1 Cl1 44.4(9) . . . . ?
C55 Co1 Si1 Cl2 70.94(15) . . . . ?
C57 Co1 Si1 Cl2 -51.39(14) . . . . ?
C56 Co1 Si1 Cl2 -176.21(15) . . . . ?
Si2 Co1 Si1 Cl2 161.6(8) . . . . ?
C55 Co1 Si2 C28 -49.8(2) . . . . ?
C57 Co1 Si2 C28 72.6(2) . . . . ?
C56 Co1 Si2 C28 -162.6(2) . . . . ?
Si1 Co1 Si2 C28 -140.4(8) . . . . ?
C55 Co1 Si2 Cl3 73.48(15) . . . . ?
C57 Co1 Si2 Cl3 -164.15(14) . . . . ?
C56 Co1 Si2 Cl3 -39.30(15) . . . . ?
Si1 Co1 Si2 Cl3 -17.1(9) . . . . ?
C55 Co1 Si2 Cl4 -170.18(15) . . . . ?
C57 Co1 Si2 Cl4 -47.80(14) . . . . ?
C56 Co1 Si2 Cl4 77.04(15) . . . . ?
Si1 Co1 Si2 Cl4 99.3(8) . . . . ?
C2 N2 C1 N1 1.1(4) . . . . ?
C16 N2 C1 N1 -177.1(4) . . . . ?
C2 N2 C1 Si1 -167.7(3) . . . . ?
C16 N2 C1 Si1 14.0(6) . . . . ?
C3 N1 C1 N2 -1.1(4) . . . . ?
C4 N1 C1 N2 172.8(4) . . . . ?
C3 N1 C1 Si1 167.7(3) . . . . ?
C4 N1 C1 Si1 -18.4(6) . . . . ?
Cl1 Si1 C1 N2 -173.9(3) . . . . ?
Cl2 Si1 C1 N2 80.0(3) . . . . ?
Co1 Si1 C1 N2 -48.7(4) . . . . ?
Cl1 Si1 C1 N1 19.7(4) . . . . ?
Cl2 Si1 C1 N1 -86.4(3) . . . . ?
Co1 Si1 C1 N1 144.8(3) . . . . ?
C1 N2 C2 C3 -0.8(5) . . . . ?
C16 N2 C2 C3 177.7(4) . . . . ?
N2 C2 C3 N1 0.1(5) . . . . ?
C1 N1 C3 C2 0.6(5) . . . . ?
C4 N1 C3 C2 -174.1(4) . . . . ?
C1 N1 C4 C5 102.9(5) . . . . ?
C3 N1 C4 C5 -83.6(5) . . . . ?
C1 N1 C4 C12 -82.5(5) . . . . ?
C3 N1 C4 C12 90.9(5) . . . . ?
C12 C4 C5 C9 -1.4(6) . . . . ?
N1 C4 C5 C9 172.7(4) . . . . ?
C12 C4 C5 C6 177.2(4) . . . . ?
N1 C4 C5 C6 -8.7(6) . . . . ?
C4 C5 C6 C8 113.7(5) . . . . ?
C9 C5 C6 C8 -67.8(5) . . . . ?
C4 C5 C6 C7 -123.1(4) . . . . ?
C9 C5 C6 C7 55.4(5) . . . . ?
C4 C5 C9 C10 0.2(6) . . . . ?
C6 C5 C9 C10 -178.4(4) . . . . ?
C5 C9 C10 C11 1.0(7) . . . . ?
C9 C10 C11 C12 -1.2(7) . . . . ?
C10 C11 C12 C4 0.1(7) . . . . ?
C10 C11 C12 C13 179.2(4) . . . . ?
C5 C4 C12 C11 1.2(6) . . . . ?
N1 C4 C12 C11 -173.0(4) . . . . ?
C5 C4 C12 C13 -177.9(4) . . . . ?
N1 C4 C12 C13 7.9(6) . . . . ?
C11 C12 C13 C15 -39.7(6) . . . . ?
C4 C12 C13 C15 139.4(4) . . . . ?
C11 C12 C13 C14 84.5(6) . . . . ?
C4 C12 C13 C14 -96.4(5) . . . . ?
C1 N2 C16 C17 -103.2(5) . . . . ?
C2 N2 C16 C17 78.7(5) . . . . ?
C1 N2 C16 C24 84.6(5) . . . . ?
C2 N2 C16 C24 -93.5(4) . . . . ?
C24 C16 C17 C21 -0.3(6) . . . . ?
N2 C16 C17 C21 -172.0(3) . . . . ?
C24 C16 C17 C18 178.0(4) . . . . ?
N2 C16 C17 C18 6.3(6) . . . . ?
C16 C17 C18 C20 -106.0(5) . . . . ?
C21 C17 C18 C20 72.4(5) . . . . ?
C16 C17 C18 C19 130.9(4) . . . . ?
C21 C17 C18 C19 -50.8(5) . . . . ?
C16 C17 C21 C22 -1.7(6) . . . . ?
C18 C17 C21 C22 179.8(4) . . . . ?
C17 C21 C22 C23 0.9(7) . . . . ?
C21 C22 C23 C24 2.2(7) . . . . ?
C22 C23 C24 C16 -4.0(6) . . . . ?
C22 C23 C24 C25 172.1(4) . . . . ?
C17 C16 C24 C23 3.2(6) . . . . ?
N2 C16 C24 C23 174.9(3) . . . . ?
C17 C16 C24 C25 -172.9(4) . . . . ?
N2 C16 C24 C25 -1.2(6) . . . . ?
C23 C24 C25 C26 -92.4(5) . . . . ?
C16 C24 C25 C26 83.5(5) . . . . ?
C23 C24 C25 C27 30.4(5) . . . . ?
C16 C24 C25 C27 -153.7(4) . . . . ?
C29 N3 C28 N4 -0.4(5) . . . . ?
C43 N3 C28 N4 -177.6(4) . . . . ?
C29 N3 C28 Si2 -173.0(3) . . . . ?
C43 N3 C28 Si2 9.7(6) . . . . ?
C30 N4 C28 N3 0.4(5) . . . . ?
C31 N4 C28 N3 179.9(4) . . . . ?
C30 N4 C28 Si2 173.0(3) . . . . ?
C31 N4 C28 Si2 -7.5(6) . . . . ?
Cl3 Si2 C28 N3 -178.4(3) . . . . ?
Cl4 Si2 C28 N3 75.9(4) . . . . ?
Co1 Si2 C28 N3 -52.0(4) . . . . ?
Cl3 Si2 C28 N4 10.6(4) . . . . ?
Cl4 Si2 C28 N4 -95.1(4) . . . . ?
Co1 Si2 C28 N4 137.0(3) . . . . ?
C28 N3 C29 C30 0.2(5) . . . . ?
C43 N3 C29 C30 177.8(4) . . . . ?
N3 C29 C30 N4 0.1(5) . . . . ?
C28 N4 C30 C29 -0.3(5) . . . . ?
C31 N4 C30 C29 -179.9(4) . . . . ?
C28 N4 C31 C32 91.5(5) . . . . ?
C30 N4 C31 C32 -89.0(5) . . . . ?
C28 N4 C31 C39 -93.7(5) . . . . ?
C30 N4 C31 C39 85.8(5) . . . . ?
C39 C31 C32 C36 4.3(6) . . . . ?
N4 C31 C32 C36 178.8(3) . . . . ?
C39 C31 C32 C33 -176.2(4) . . . . ?
N4 C31 C32 C33 -1.7(6) . . . . ?
C36 C32 C33 C35 -76.1(5) . . . . ?
C31 C32 C33 C35 104.4(5) . . . . ?
C36 C32 C33 C34 48.0(5) . . . . ?
C31 C32 C33 C34 -131.5(4) . . . . ?
C31 C32 C36 C37 -2.2(6) . . . . ?
C33 C32 C36 C37 178.3(4) . . . . ?
C32 C36 C37 C38 -0.5(6) . . . . ?
C36 C37 C38 C39 1.5(7) . . . . ?
C37 C38 C39 C31 0.4(6) . . . . ?
C37 C38 C39 C40 178.8(4) . . . . ?
C32 C31 C39 C38 -3.4(6) . . . . ?
N4 C31 C39 C38 -177.9(3) . . . . ?
C32 C31 C39 C40 178.3(4) . . . . ?
N4 C31 C39 C40 3.8(6) . . . . ?
C38 C39 C40 C41 -56.2(5) . . . . ?
C31 C39 C40 C41 122.1(4) . . . . ?
C38 C39 C40 C42 67.1(5) . . . . ?
C31 C39 C40 C42 -114.6(5) . . . . ?
C28 N3 C43 C51 89.1(5) . . . . ?
C29 N3 C43 C51 -88.0(5) . . . . ?
C28 N3 C43 C44 -98.5(5) . . . . ?
C29 N3 C43 C44 84.4(5) . . . . ?
C51 C43 C44 C48 -1.9(7) . . . . ?
N3 C43 C44 C48 -173.9(4) . . . . ?
C51 C43 C44 C45 174.8(4) . . . . ?
N3 C43 C44 C45 2.9(6) . . . . ?
C48 C44 C45 C47 74.3(5) . . . . ?
C43 C44 C45 C47 -102.4(5) . . . . ?
C48 C44 C45 C46 -47.6(6) . . . . ?
C43 C44 C45 C46 135.7(5) . . . . ?
C43 C44 C48 C49 0.1(7) . . . . ?
C45 C44 C48 C49 -176.8(4) . . . . ?
C44 C48 C49 C50 1.2(8) . . . . ?
C48 C49 C50 C51 -0.7(8) . . . . ?
C44 C43 C51 C50 2.4(7) . . . . ?
N3 C43 C51 C50 174.4(4) . . . . ?
C44 C43 C51 C52 -172.7(4) . . . . ?
N3 C43 C51 C52 -0.7(6) . . . . ?
C49 C50 C51 C43 -1.0(7) . . . . ?
C49 C50 C51 C52 174.2(5) . . . . ?
C43 C51 C52 C53 -149.1(4) . . . . ?
C50 C51 C52 C53 35.9(6) . . . . ?
C43 C51 C52 C54 88.3(5) . . . . ?
C50 C51 C52 C54 -86.6(5) . . . . ?
C57 Co1 C55 O1 162(7) . . . . ?
C56 Co1 C55 O1 -18(7) . . . . ?
Si2 Co1 C55 O1 -107(7) . . . . ?
Si1 Co1 C55 O1 70(7) . . . . ?
C55 Co1 C56 O2 11(6) . . . . ?
C57 Co1 C56 O2 -169(5) . . . . ?
Si2 Co1 C56 O2 101(6) . . . . ?
Si1 Co1 C56 O2 -78(6) . . . . ?
C55 Co1 C57 O3 76(24) . . . . ?
C56 Co1 C57 O3 -105(24) . . . . ?
Si2 Co1 C57 O3 -16(24) . . . . ?
Si1 Co1 C57 O3 166(100) . . . . ?
Cl7 Co2 O4 C83 87(2) . . . . ?
Cl6 Co2 O4 C83 -43(2) . . . . ?
Cl5 Co2 O4 C83 -156(2) . . . . ?
Cl7 Co2 O4 C80 -139.2(18) . . . . ?
Cl6 Co2 O4 C80 91.2(19) . . . . ?
Cl5 Co2 O4 C80 -22.0(19) . . . . ?
C83 O4 C80 C81 -14(4) . . . . ?
Co2 O4 C80 C81 -155(2) . . . . ?
O4 C80 C81 C82 35(3) . . . . ?
C80 C81 C82 C83 -44(3) . . . . ?
C80 O4 C83 C82 -12(3) . . . . ?
Co2 O4 C83 C82 129(2) . . . . ?
C81 C82 C83 O4 39(3) . . . . ?
Cl6' Co2' O4' C83' -13.0(16) . . . . ?
Cl5' Co2' O4' C83' -133.9(14) . . . . ?
Cl7' Co2' O4' C83' 106.0(15) . . . . ?
Cl6' Co2' O4' C80' 98.9(13) . . . . ?
Cl5' Co2' O4' C80' -22.0(14) . . . . ?
Cl7' Co2' O4' C80' -142.0(12) . . . . ?
C83' O4' C80' C81' 43.0(17) . . . . ?
Co2' O4' C80' C81' -84.8(14) . . . . ?
O4' C80' C81' C82' -39.0(16) . . . . ?
C80' C81' C82' C83' 17.6(17) . . . . ?
C80' O4' C83' C82' -29.3(19) . . . . ?
Co2' O4' C83' C82' 95.9(17) . . . . ?
C81' C82' C83' O4' 9(2) . . . . ?
C93 O50 C90 C91 -0.4 . . . . ?
O50 C90 C91 C92 21.8 . . . . ?
C90 C91 C92 C93 -34.5 . . . . ?
C90 O50 C93 C92 -21.9 . . . . ?
C91 C92 C93 O50 34.9 . . . . ?
C93' O50' C90' C91' -13.9 . . . . ?
O50' C90' C91' C92' 33.6 . . . . ?
C90' C91' C92' C93' -39.6 . . . . ?
C90' O50' C93' C92' -11.8 . . . . ?
C91' C92' C93' O50' 32.3 . . . . ?
C97 O51 C94 C95 -38.6 . . . . ?
O51 C94 C95 C96 36.0 . . . . ?
C94 C95 C96 C97 -20.2 . . . . ?
C94 O51 C97 C96 25.5 . . . . ?
C95 C96 C97 O51 -2.4 . . . . ?
C97' O51' C94' C95' -0.4 . . . . ?
O51' C94' C95' C96' 21.8 . . . . ?
C94' C95' C96' C97' -34.5 . . . . ?
C94' O51' C97' C96' -21.9 . . . . ?
C95' C96' C97' O51' 34.9 . . . . ?
