#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:32:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179753 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/49/7004975.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_7004975
loop_
_publ_author_name
'Chen, Yin-Qiang'
'Zhang, Jiasheng'
'Cai, Shuyi'
'Hou, Xiu-Feng'
'Schumann, Herbert'
'Jin, Guo-Xin'
_publ_section_title
;
 Syntheses and structures of heterometallic clusters by the reaction of
 o-carboranyl cobaltadichalcogenolato complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              749
_journal_page_last               758
_journal_paper_doi               10.1039/b614123d
_journal_year                    2007
_chemical_formula_sum            'C14 H30 B20 Co2 Ni S4'
_chemical_formula_weight         719.19
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 99.897(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.295(4)
_cell_length_b                   36.040(11)
_cell_length_c                   15.458(5)
_cell_measurement_reflns_used    1005
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.340
_cell_measurement_theta_min      2.260
_cell_volume                     6199(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1402
_diffrn_reflns_av_sigmaI/netI    0.2921
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25934
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.13
_diffrn_standards_decay_%        6.31
_exptl_absorpt_coefficient_mu    1.940
_exptl_absorpt_correction_T_max  0.9092
_exptl_absorpt_correction_T_min  0.8297
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.564
_refine_diff_density_min         -0.393
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.706
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     779
_refine_ls_number_reflns         10928
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.706
_refine_ls_R_factor_all          0.1844
_refine_ls_R_factor_gt           0.0546
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0174P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                3716
_reflns_number_total             10928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614123d.txt
_cod_data_source_block           f60311b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6199(3)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7004975
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Co1A Co 0.03543(11) -0.04418(3) 0.69193(7) 0.0461(4) Uani 1 1 d . . .
Co2A Co 0.19581(11) 0.03595(3) 0.85497(7) 0.0473(4) Uani 1 1 d . . .
Ni1A Ni 0.03991(11) 0.01826(2) 0.73932(7) 0.0444(3) Uani 1 1 d . . .
S1A S -0.0808(2) -0.00355(5) 0.61047(13) 0.0490(7) Uani 1 1 d . . .
S2A S -0.0520(2) -0.02678(5) 0.80260(13) 0.0450(6) Uani 1 1 d . . .
S3A S 0.2215(2) 0.03682(5) 0.71724(13) 0.0446(6) Uani 1 1 d . . .
S4A S 0.0419(2) 0.07381(5) 0.81709(13) 0.0464(6) Uani 1 1 d . . .
C1A C -0.2209(8) -0.00886(19) 0.6474(5) 0.045(2) Uani 1 1 d . . .
C2A C -0.2040(8) -0.02078(19) 0.7504(5) 0.041(2) Uani 1 1 d . . .
C3A C 0.1918(7) 0.08535(17) 0.6874(5) 0.038(2) Uani 1 1 d . . .
C4A C 0.0983(7) 0.10556(19) 0.7428(5) 0.040(2) Uani 1 1 d . . .
C5A C 0.0875(13) -0.0742(3) 0.5941(6) 0.080(4) Uani 1 1 d . . .
H5AA H 0.0563 -0.0719 0.5311 0.096 Uiso 1 1 calc R . .
C6A C 0.1880(11) -0.0552(3) 0.6419(10) 0.079(4) Uani 1 1 d . . .
H6AA H 0.2365 -0.0367 0.6174 0.094 Uiso 1 1 calc R . .
C7A C 0.2046(11) -0.0659(3) 0.7273(9) 0.088(4) Uani 1 1 d . . .
H7AA H 0.2672 -0.0570 0.7747 0.106 Uiso 1 1 calc R . .
C8A C 0.1166(14) -0.0928(3) 0.7347(8) 0.083(4) Uani 1 1 d . . .
H8AA H 0.1070 -0.1061 0.7884 0.100 Uiso 1 1 calc R . .
C9A C 0.0470(10) -0.0979(2) 0.6522(10) 0.071(3) Uani 1 1 d . . .
H9AA H -0.0204 -0.1153 0.6381 0.085 Uiso 1 1 calc R . .
C10A C 0.1774(10) 0.0269(3) 0.9811(6) 0.071(3) Uani 1 1 d . . .
H10C H 0.1045 0.0306 1.0065 0.085 Uiso 1 1 calc R . .
C11A C 0.2638(13) 0.0522(3) 0.9762(6) 0.078(4) Uani 1 1 d . . .
H11C H 0.2644 0.0777 0.9979 0.094 Uiso 1 1 calc R . .
C12A C 0.3541(10) 0.0358(3) 0.9398(6) 0.069(3) Uani 1 1 d . . .
H12C H 0.4288 0.0478 0.9304 0.083 Uiso 1 1 calc R . .
C13A C 0.3208(10) -0.0001(3) 0.9192(6) 0.065(3) Uani 1 1 d . . .
H13C H 0.3667 -0.0186 0.8923 0.078 Uiso 1 1 calc R . .
C14A C 0.2134(11) -0.0056(2) 0.9473(6) 0.066(3) Uani 1 1 d . . .
H14C H 0.1677 -0.0289 0.9418 0.080 Uiso 1 1 calc R . .
B3A B -0.2609(10) -0.0537(2) 0.6763(6) 0.049(3) Uani 1 1 d . . .
H3A H -0.2134 -0.0793 0.6644 0.058 Uiso 1 1 calc R . .
B4A B -0.3476(11) -0.0281(3) 0.5916(7) 0.069(4) Uani 1 1 d . . .
H4A H -0.3564 -0.0367 0.5225 0.083 Uiso 1 1 calc R . .
B5A B -0.3447(9) 0.0191(2) 0.6185(6) 0.051(3) Uani 1 1 d . . .
H5A H -0.3515 0.0409 0.5682 0.062 Uiso 1 1 calc R . .
B6A B -0.2534(10) 0.0244(2) 0.7226(6) 0.044(3) Uani 1 1 d . . .
H6A H -0.2007 0.0497 0.7413 0.052 Uiso 1 1 calc R . .
B7A B -0.3181(10) -0.0485(2) 0.7719(7) 0.056(3) Uani 1 1 d . . .
H7A H -0.3084 -0.0700 0.8232 0.068 Uiso 1 1 calc R . .
B8A B -0.4105(10) -0.0533(3) 0.6672(6) 0.061(3) Uani 1 1 d . . .
H8A H -0.4626 -0.0788 0.6486 0.074 Uiso 1 1 calc R . .
B9A B -0.4678(10) -0.0089(3) 0.6330(7) 0.060(3) Uani 1 1 d . . .
H9A H -0.5574 -0.0054 0.5928 0.072 Uiso 1 1 calc R . .
B10A B -0.4068(10) 0.0237(3) 0.7146(6) 0.058(3) Uani 1 1 d . . .
H10A H -0.4565 0.0487 0.7275 0.070 Uiso 1 1 calc R . .
B11A B -0.3153(10) -0.0003(3) 0.7992(6) 0.058(3) Uani 1 1 d . . .
H11A H -0.3029 0.0088 0.8680 0.069 Uiso 1 1 calc R . .
B12A B -0.4494(10) -0.0205(3) 0.7444(7) 0.060(3) Uani 1 1 d . . .
H12A H -0.5277 -0.0243 0.7771 0.071 Uiso 1 1 calc R . .
B13A B 0.0483(9) 0.0957(2) 0.6357(6) 0.040(3) Uani 1 1 d . . .
H13A H -0.0215 0.0751 0.6119 0.048 Uiso 1 1 calc R . .
B14A B 0.1748(9) 0.1024(2) 0.5847(6) 0.041(3) Uani 1 1 d . . .
H14A H 0.1876 0.0860 0.5271 0.050 Uiso 1 1 calc R . .
B15A B 0.2967(10) 0.1156(2) 0.6655(6) 0.053(3) Uani 1 1 d . . .
H15A H 0.3893 0.1078 0.6601 0.064 Uiso 1 1 calc R . .
B16A B 0.2474(9) 0.1164(2) 0.7678(6) 0.041(3) Uani 1 1 d . . .
H16A H 0.3067 0.1090 0.8296 0.049 Uiso 1 1 calc R . .
B17A B 0.0130(10) 0.1376(2) 0.6825(6) 0.048(3) Uani 1 1 d . . .
H17A H -0.0801 0.1444 0.6890 0.057 Uiso 1 1 calc R . .
B18A B 0.0634(10) 0.1375(2) 0.5791(7) 0.045(3) Uani 1 1 d . . .
H18A H 0.0047 0.1447 0.5169 0.054 Uiso 1 1 calc R . .
B19A B 0.2174(9) 0.1501(2) 0.5989(6) 0.047(3) Uani 1 1 d . . .
H19A H 0.2583 0.1655 0.5501 0.056 Uiso 1 1 calc R . .
B20A B 0.2616(10) 0.1582(2) 0.7115(6) 0.048(3) Uani 1 1 d . . .
H20A H 0.3313 0.1788 0.7359 0.058 Uiso 1 1 calc R . .
B21A B 0.1346(10) 0.1507(2) 0.7634(7) 0.054(3) Uani 1 1 d . . .
H21A H 0.1212 0.1661 0.8224 0.065 Uiso 1 1 calc R . .
B22A B 0.1147(9) 0.1710(2) 0.6596(6) 0.049(3) Uani 1 1 d . . .
H22A H 0.0874 0.2003 0.6503 0.059 Uiso 1 1 calc R . .
Co1B Co 0.58364(12) 0.18324(3) 0.45027(7) 0.0504(4) Uani 1 1 d . . .
Co2B Co 0.83137(11) 0.25346(3) 0.38262(7) 0.0509(4) Uani 1 1 d . . .
Ni1B Ni 0.62839(10) 0.24138(2) 0.39169(6) 0.0444(3) Uani 1 1 d . . .
S1B S 0.4395(2) 0.22557(5) 0.42447(14) 0.0484(6) Uani 1 1 d . . .
S2B S 0.6031(2) 0.18872(5) 0.31178(14) 0.0459(6) Uani 1 1 d . . .
S3B S 0.7606(2) 0.26787(5) 0.50189(13) 0.0510(7) Uani 1 1 d . . .
S4B S 0.6897(2) 0.28913(5) 0.30962(13) 0.0492(7) Uani 1 1 d . . .
C1B C 0.3637(8) 0.21227(19) 0.3179(5) 0.044(2) Uani 1 1 d . . .
C2B C 0.4484(8) 0.19334(19) 0.2564(5) 0.043(2) Uani 1 1 d . . .
C3B C 0.7276(8) 0.31792(18) 0.4848(5) 0.044(2) Uani 1 1 d . . .
C4B C 0.6880(7) 0.32796(19) 0.3826(5) 0.039(2) Uani 1 1 d . . .
C5B C 0.5736(19) 0.1677(6) 0.5730(9) 0.099(5) Uani 1 1 d . . .
H5BA H 0.5148 0.1771 0.6074 0.119 Uiso 1 1 calc R . .
C6B C 0.672(2) 0.1811(4) 0.5727(11) 0.137(9) Uani 1 1 d . . .
H6BA H 0.7051 0.2026 0.6076 0.164 Uiso 1 1 calc R . .
C7B C 0.7303(14) 0.1607(9) 0.5242(15) 0.171(13) Uani 1 1 d . . .
H7BA H 0.8138 0.1643 0.5162 0.205 Uiso 1 1 calc R . .
C8B C 0.655(3) 0.1346(5) 0.4857(12) 0.152(11) Uani 1 1 d . . .
H8BA H 0.6734 0.1148 0.4467 0.182 Uiso 1 1 calc R . .
C9B C 0.5580(18) 0.1375(5) 0.5209(12) 0.117(6) Uani 1 1 d . . .
H9BA H 0.4881 0.1210 0.5114 0.140 Uiso 1 1 calc R . .
C10B C 0.8959(10) 0.2267(3) 0.2851(7) 0.082(4) Uani 1 1 d . . .
H10D H 0.8528 0.2217 0.2256 0.098 Uiso 1 1 calc R . .
C11B C 0.9675(10) 0.2578(3) 0.3130(9) 0.078(4) Uani 1 1 d . . .
H11D H 0.9801 0.2789 0.2757 0.093 Uiso 1 1 calc R . .
C12B C 1.0145(9) 0.2547(3) 0.3991(9) 0.075(3) Uani 1 1 d . . .
H12D H 1.0671 0.2727 0.4342 0.090 Uiso 1 1 calc R . .
C13B C 0.9755(10) 0.2207(3) 0.4291(8) 0.085(4) Uani 1 1 d . . .
H13D H 0.9962 0.2108 0.4889 0.102 Uiso 1 1 calc R . .
C14B C 0.9047(10) 0.2032(3) 0.3587(9) 0.077(4) Uani 1 1 d . . .
H14D H 0.8658 0.1790 0.3603 0.093 Uiso 1 1 calc R . .
B3B B 0.3924(9) 0.2377(2) 0.2307(6) 0.045(3) Uani 1 1 d . . .
H3B H 0.4456 0.2634 0.2366 0.054 Uiso 1 1 calc R . .
B4B B 0.2484(10) 0.2366(3) 0.2561(6) 0.058(3) Uani 1 1 d . . .
H4B H 0.2068 0.2615 0.2793 0.070 Uiso 1 1 calc R . .
B5B B 0.2213(9) 0.1926(2) 0.2990(7) 0.053(3) Uani 1 1 d . . .
H5B H 0.1645 0.1891 0.3496 0.064 Uiso 1 1 calc R . .
B6B B 0.3496(10) 0.1646(2) 0.2977(7) 0.054(3) Uani 1 1 d . . .
H6B H 0.3751 0.1427 0.3469 0.065 Uiso 1 1 calc R . .
B7B B 0.4034(11) 0.2040(2) 0.1488(6) 0.061(3) Uani 1 1 d . . .
H7B H 0.4655 0.2073 0.1018 0.073 Uiso 1 1 calc R . .
B8B B 0.2721(10) 0.2315(3) 0.1471(7) 0.060(3) Uani 1 1 d . . .
H8B H 0.2464 0.2532 0.0973 0.072 Uiso 1 1 calc R . .
B9B B 0.1630(10) 0.2040(3) 0.1862(7) 0.062(3) Uani 1 1 d . . .
H9B H 0.0662 0.2076 0.1625 0.074 Uiso 1 1 calc R . .
B10B B 0.2268(10) 0.1598(3) 0.2115(7) 0.058(3) Uani 1 1 d . . .
H10B H 0.1709 0.1347 0.2038 0.069 Uiso 1 1 calc R . .
B11B B 0.3731(11) 0.1602(3) 0.1897(7) 0.068(4) Uani 1 1 d . . .
H11B H 0.4153 0.1351 0.1686 0.082 Uiso 1 1 calc R . .
B12B B 0.2591(10) 0.1840(3) 0.1194(8) 0.066(4) Uani 1 1 d . . .
H12B H 0.2253 0.1747 0.0519 0.080 Uiso 1 1 calc R . .
B13B B 0.8277(10) 0.3421(2) 0.4357(6) 0.046(3) Uani 1 1 d . . .
H13B H 0.9132 0.3313 0.4212 0.055 Uiso 1 1 calc R . .
B14B B 0.8091(11) 0.3522(2) 0.5437(6) 0.062(4) Uani 1 1 d . . .
H14B H 0.8819 0.3482 0.6001 0.074 Uiso 1 1 calc R . .
B15B B 0.6564(10) 0.3433(2) 0.5496(6) 0.048(3) Uani 1 1 d . . .
H15B H 0.6309 0.3333 0.6110 0.057 Uiso 1 1 calc R . .
B16B B 0.5828(9) 0.3277(2) 0.4464(6) 0.044(3) Uani 1 1 d . . .
H16B H 0.5084 0.3077 0.4398 0.053 Uiso 1 1 calc R . .
B17B B 0.7391(9) 0.3720(2) 0.3634(7) 0.051(3) Uani 1 1 d . . .
H17B H 0.7674 0.3812 0.3022 0.062 Uiso 1 1 calc R . .
B18B B 0.8109(10) 0.3880(2) 0.4667(6) 0.055(3) Uani 1 1 d . . .
H18B H 0.8852 0.4081 0.4737 0.066 Uiso 1 1 calc R . .
B19B B 0.7022(11) 0.3887(2) 0.5360(7) 0.060(3) Uani 1 1 d . . .
H19B H 0.7050 0.4095 0.5885 0.072 Uiso 1 1 calc R . .
B20B B 0.5671(11) 0.3735(2) 0.4775(7) 0.064(4) Uani 1 1 d . . .
H20B H 0.4815 0.3843 0.4920 0.077 Uiso 1 1 calc R . .
B21B B 0.5853(10) 0.3625(2) 0.3681(7) 0.056(3) Uani 1 1 d . . .
H21B H 0.5141 0.3655 0.3103 0.067 Uiso 1 1 calc R . .
B22B B 0.6607(10) 0.4003(3) 0.4253(7) 0.060(3) Uani 1 1 d . . .
H22B H 0.6363 0.4289 0.4044 0.073 Uiso 1 1 calc R . .
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'
B B 0.0013 0.0007 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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
C5A Co1A C8A 67.1(4) . . ?
C5A Co1A C9A 39.5(3) . . ?
C8A Co1A C9A 39.8(3) . . ?
C5A Co1A C6A 40.8(4) . . ?
C8A Co1A C6A 66.0(4) . . ?
C9A Co1A C6A 66.4(4) . . ?
C5A Co1A C7A 67.6(4) . . ?
C8A Co1A C7A 40.3(4) . . ?
C9A Co1A C7A 67.2(4) . . ?
C6A Co1A C7A 38.7(3) . . ?
C5A Co1A S2A 162.8(5) . . ?
C8A Co1A S2A 103.3(3) . . ?
C9A Co1A S2A 124.2(4) . . ?
C6A Co1A S2A 150.0(5) . . ?
C7A Co1A S2A 115.0(4) . . ?
C5A Co1A S1A 98.5(3) . . ?
C8A Co1A S1A 161.1(5) . . ?
C9A Co1A S1A 121.3(4) . . ?
C6A Co1A S1A 111.7(4) . . ?
C7A Co1A S1A 147.2(5) . . ?
S2A Co1A S1A 87.26(9) . . ?
C5A Co1A Ni1A 138.2(4) . . ?
C8A Co1A Ni1A 137.3(5) . . ?
C9A Co1A Ni1A 175.2(3) . . ?
C6A Co1A Ni1A 109.2(3) . . ?
C7A Co1A Ni1A 108.2(3) . . ?
S2A Co1A Ni1A 58.55(6) . . ?
S1A Co1A Ni1A 61.64(6) . . ?
C11A Co2A C10A 39.3(4) . . ?
C11A Co2A C12A 40.2(4) . . ?
C10A Co2A C12A 66.5(4) . . ?
C11A Co2A C13A 66.8(4) . . ?
C10A Co2A C13A 66.8(4) . . ?
C12A Co2A C13A 39.3(3) . . ?
C11A Co2A C14A 65.4(4) . . ?
C10A Co2A C14A 39.3(3) . . ?
C12A Co2A C14A 65.2(4) . . ?
C13A Co2A C14A 39.1(3) . . ?
C11A Co2A S3A 144.6(4) . . ?
C10A Co2A S3A 171.4(3) . . ?
C12A Co2A S3A 112.2(3) . . ?
C13A Co2A S3A 106.5(3) . . ?
C14A Co2A S3A 132.1(3) . . ?
C11A Co2A S4A 103.1(4) . . ?
C10A Co2A S4A 98.6(3) . . ?
C12A Co2A S4A 137.7(3) . . ?
C13A Co2A S4A 165.3(3) . . ?
C14A Co2A S4A 127.7(4) . . ?
S3A Co2A S4A 87.90(8) . . ?
C11A Co2A Ni1A 155.1(4) . . ?
C10A Co2A Ni1A 119.8(4) . . ?
C12A Co2A Ni1A 160.9(4) . . ?
C13A Co2A Ni1A 123.8(3) . . ?
C14A Co2A Ni1A 107.3(3) . . ?
S3A Co2A Ni1A 58.54(7) . . ?
S4A Co2A Ni1A 61.14(7) . . ?
S3A Ni1A S2A 142.06(9) . . ?
S3A Ni1A S4A 83.94(8) . . ?
S2A Ni1A S4A 111.15(9) . . ?
S3A Ni1A S1A 112.61(9) . . ?
S2A Ni1A S1A 83.26(8) . . ?
S4A Ni1A S1A 132.62(9) . . ?
S3A Ni1A Co1A 102.03(7) . . ?
S2A Ni1A Co1A 57.24(6) . . ?
S4A Ni1A Co1A 166.92(7) . . ?
S1A Ni1A Co1A 55.95(6) . . ?
S3A Ni1A Co2A 56.87(7) . . ?
S2A Ni1A Co2A 101.86(7) . . ?
S4A Ni1A Co2A 56.00(7) . . ?
S1A Ni1A Co2A 167.86(9) . . ?
Co1A Ni1A Co2A 117.59(6) . . ?
C1A S1A Co1A 102.7(3) . . ?
C1A S1A Ni1A 100.5(3) . . ?
Co1A S1A Ni1A 62.41(7) . . ?
C2A S2A Co1A 102.0(3) . . ?
C2A S2A Ni1A 101.4(3) . . ?
Co1A S2A Ni1A 64.21(7) . . ?
C3A S3A Co2A 102.1(2) . . ?
C3A S3A Ni1A 101.0(3) . . ?
Co2A S3A Ni1A 64.59(7) . . ?
C4A S4A Co2A 102.2(3) . . ?
C4A S4A Ni1A 100.9(2) . . ?
Co2A S4A Ni1A 62.86(7) . . ?
C2A C1A B4A 109.7(7) . . ?
C2A C1A B5A 111.2(6) . . ?
B4A C1A B5A 61.8(6) . . ?
C2A C1A B6A 62.2(4) . . ?
B4A C1A B6A 111.3(7) . . ?
B5A C1A B6A 61.2(5) . . ?
C2A C1A B3A 60.0(4) . . ?
B4A C1A B3A 61.2(5) . . ?
B5A C1A B3A 111.8(7) . . ?
B6A C1A B3A 111.5(6) . . ?
C2A C1A S1A 112.4(6) . . ?
B4A C1A S1A 127.0(6) . . ?
B5A C1A S1A 125.6(6) . . ?
B6A C1A S1A 116.0(6) . . ?
B3A C1A S1A 117.5(6) . . ?
C1A C2A B3A 63.7(5) . . ?
C1A C2A B7A 112.3(6) . . ?
B3A C2A B7A 60.8(5) . . ?
C1A C2A B11A 109.9(6) . . ?
B3A C2A B11A 111.8(7) . . ?
B7A C2A B11A 62.4(5) . . ?
C1A C2A B6A 62.3(4) . . ?
B3A C2A B6A 114.6(6) . . ?
B7A C2A B6A 111.8(7) . . ?
B11A C2A B6A 59.2(5) . . ?
C1A C2A S2A 114.6(6) . . ?
B3A C2A S2A 116.4(5) . . ?
B7A C2A S2A 122.8(6) . . ?
B11A C2A S2A 124.6(5) . . ?
B6A C2A S2A 117.8(5) . . ?
C4A C3A B14A 110.6(6) . . ?
C4A C3A B15A 110.8(6) . . ?
B14A C3A B15A 62.9(5) . . ?
C4A C3A B16A 61.3(5) . . ?
B14A C3A B16A 114.5(5) . . ?
B15A C3A B16A 62.6(5) . . ?
C4A C3A B13A 60.4(5) . . ?
B14A C3A B13A 62.4(5) . . ?
B15A C3A B13A 113.8(6) . . ?
B16A C3A B13A 113.3(6) . . ?
C4A C3A S3A 113.7(5) . . ?
B14A C3A S3A 125.0(5) . . ?
B15A C3A S3A 124.4(6) . . ?
B16A C3A S3A 114.5(5) . . ?
B13A C3A S3A 116.3(5) . . ?
C3A C4A B17A 112.1(6) . . ?
C3A C4A B13A 62.2(5) . . ?
B17A C4A B13A 62.5(5) . . ?
C3A C4A B21A 111.6(6) . . ?
B17A C4A B21A 62.7(5) . . ?
B13A C4A B21A 114.5(6) . . ?
C3A C4A B16A 61.3(5) . . ?
B17A C4A B16A 114.7(6) . . ?
B13A C4A B16A 114.8(6) . . ?
B21A C4A B16A 62.7(5) . . ?
C3A C4A S4A 112.2(5) . . ?
B17A C4A S4A 123.7(6) . . ?
B13A C4A S4A 113.2(5) . . ?
B21A C4A S4A 125.9(5) . . ?
B16A C4A S4A 116.1(5) . . ?
C9A C5A C6A 106.6(10) . . ?
C9A C5A Co1A 70.9(5) . . ?
C6A C5A Co1A 70.4(5) . . ?
C9A C5A H5AA 126.7 . . ?
C6A C5A H5AA 126.7 . . ?
Co1A C5A H5AA 126.7 . . ?
C7A C6A C5A 109.6(10) . . ?
C7A C6A Co1A 70.8(6) . . ?
C5A C6A Co1A 68.9(6) . . ?
C7A C6A H6AA 125.2 . . ?
C5A C6A H6AA 125.2 . . ?
Co1A C6A H6AA 125.2 . . ?
C6A C7A C8A 107.0(11) . . ?
C6A C7A Co1A 70.5(7) . . ?
C8A C7A Co1A 69.3(6) . . ?
C6A C7A H7AA 126.5 . . ?
C8A C7A H7AA 126.5 . . ?
Co1A C7A H7AA 126.5 . . ?
C9A C8A C7A 108.3(11) . . ?
C9A C8A Co1A 70.4(6) . . ?
C7A C8A Co1A 70.4(6) . . ?
C9A C8A H8AA 125.9 . . ?
C7A C8A H8AA 125.9 . . ?
Co1A C8A H8AA 125.9 . . ?
C5A C9A C8A 108.5(11) . . ?
C5A C9A Co1A 69.6(5) . . ?
C8A C9A Co1A 69.8(6) . . ?
C5A C9A H9AA 125.8 . . ?
C8A C9A H9AA 125.8 . . ?
Co1A C9A H9AA 125.8 . . ?
C11A C10A C14A 106.9(11) . . ?
C11A C10A Co2A 68.9(6) . . ?
C14A C10A Co2A 71.6(5) . . ?
C11A C10A H10C 126.5 . . ?
C14A C10A H10C 126.5 . . ?
Co2A C10A H10C 126.5 . . ?
C10A C11A C12A 109.2(10) . . ?
C10A C11A Co2A 71.8(6) . . ?
C12A C11A Co2A 71.5(6) . . ?
C10A C11A H11C 125.4 . . ?
C12A C11A H11C 125.4 . . ?
Co2A C11A H11C 125.4 . . ?
C13A C12A C11A 107.8(10) . . ?
C13A C12A Co2A 71.1(6) . . ?
C11A C12A Co2A 68.3(6) . . ?
C13A C12A H12C 126.1 . . ?
C11A C12A H12C 126.1 . . ?
Co2A C12A H12C 126.1 . . ?
C14A C13A C12A 106.6(9) . . ?
C14A C13A Co2A 70.8(6) . . ?
C12A C13A Co2A 69.6(5) . . ?
C14A C13A H13C 126.7 . . ?
C12A C13A H13C 126.7 . . ?
Co2A C13A H13C 126.7 . . ?
C13A C14A C10A 109.5(10) . . ?
C13A C14A Co2A 70.2(5) . . ?
C10A C14A Co2A 69.1(5) . . ?
C13A C14A H14C 125.2 . . ?
C10A C14A H14C 125.2 . . ?
Co2A C14A H14C 125.2 . . ?
B8A B3A C2A 108.2(7) . . ?
B8A B3A B7A 63.1(6) . . ?
C2A B3A B7A 59.9(5) . . ?
B8A B3A B4A 60.5(6) . . ?
C2A B3A B4A 103.6(6) . . ?
B7A B3A B4A 109.8(8) . . ?
B8A B3A C1A 105.8(7) . . ?
C2A B3A C1A 56.3(4) . . ?
B7A B3A C1A 105.6(6) . . ?
B4A B3A C1A 57.5(5) . . ?
B8A B3A H3A 120.4 . . ?
C2A B3A H3A 124.2 . . ?
B7A B3A H3A 120.0 . . ?
B4A B3A H3A 122.8 . . ?
C1A B3A H3A 125.2 . . ?
C1A B4A B8A 106.4(7) . . ?
C1A B4A B9A 107.2(7) . . ?
B8A B4A B9A 61.5(6) . . ?
C1A B4A B5A 60.0(5) . . ?
B8A B4A B5A 110.2(8) . . ?
B9A B4A B5A 60.7(6) . . ?
C1A B4A B3A 61.3(5) . . ?
B8A B4A B3A 57.4(6) . . ?
B9A B4A B3A 107.8(8) . . ?
B5A B4A B3A 110.4(7) . . ?
C1A B4A H4A 122.5 . . ?
B8A B4A H4A 122.1 . . ?
B9A B4A H4A 121.5 . . ?
B5A B4A H4A 119.8 . . ?
B3A B4A H4A 121.5 . . ?
C1A B5A B4A 58.2(5) . . ?
C1A B5A B10A 105.1(7) . . ?
B4A B5A B10A 107.3(7) . . ?
C1A B5A B9A 104.8(6) . . ?
B4A B5A B9A 59.4(6) . . ?
B10A B5A B9A 60.5(6) . . ?
C1A B5A B6A 60.3(5) . . ?
B4A B5A B6A 107.8(7) . . ?
B10A B5A B6A 58.3(5) . . ?
B9A B5A B6A 107.2(7) . . ?
C1A B5A H5A 123.9 . . ?
B4A B5A H5A 122.1 . . ?
B10A B5A H5A 122.8 . . ?
B9A B5A H5A 122.5 . . ?
B6A B5A H5A 121.8 . . ?
B10A B6A B11A 61.2(6) . . ?
B10A B6A C2A 106.2(7) . . ?
B11A B6A C2A 60.0(5) . . ?
B10A B6A C1A 105.5(7) . . ?
B11A B6A C1A 105.0(6) . . ?
C2A B6A C1A 55.5(4) . . ?
B10A B6A B5A 60.6(6) . . ?
B11A B6A B5A 109.2(8) . . ?
C2A B6A B5A 103.6(6) . . ?
C1A B6A B5A 58.5(5) . . ?
B10A B6A H6A 121.7 . . ?
B11A B6A H6A 120.9 . . ?
C2A B6A H6A 124.8 . . ?
C1A B6A H6A 125.1 . . ?
B5A B6A H6A 122.2 . . ?
C2A B7A B3A 59.3(5) . . ?
C2A B7A B8A 103.1(7) . . ?
B3A B7A B8A 57.1(5) . . ?
C2A B7A B12A 104.3(6) . . ?
B3A B7A B12A 106.1(7) . . ?
B8A B7A B12A 60.3(6) . . ?
C2A B7A B11A 59.6(5) . . ?
B3A B7A B11A 108.3(7) . . ?
B8A B7A B11A 107.1(7) . . ?
B12A B7A B11A 59.1(5) . . ?
C2A B7A H7A 124.5 . . ?
B3A B7A H7A 122.5 . . ?
B8A B7A H7A 123.9 . . ?
B12A B7A H7A 123.1 . . ?
B11A B7A H7A 121.2 . . ?
B3A B8A B4A 62.2(6) . . ?
B3A B8A B9A 110.0(8) . . ?
B4A B8A B9A 59.6(6) . . ?
B3A B8A B7A 59.8(6) . . ?
B4A B8A B7A 108.6(8) . . ?
B9A B8A B7A 108.0(7) . . ?
B3A B8A B12A 108.0(8) . . ?
B4A B8A B12A 106.2(7) . . ?
B9A B8A B12A 58.8(6) . . ?
B7A B8A B12A 60.1(5) . . ?
B3A B8A H8A 120.2 . . ?
B4A B8A H8A 121.7 . . ?
B9A B8A H8A 121.6 . . ?
B7A B8A H8A 121.6 . . ?
B12A B8A H8A 123.0 . . ?
B4A B9A B12A 107.4(8) . . ?
B4A B9A B5A 59.9(6) . . ?
B12A B9A B5A 107.4(7) . . ?
B4A B9A B10A 107.0(8) . . ?
B12A B9A B10A 59.4(5) . . ?
B5A B9A B10A 59.6(5) . . ?
B4A B9A B8A 58.8(6) . . ?
B12A B9A B8A 61.0(5) . . ?
B5A B9A B8A 107.4(7) . . ?
B10A B9A B8A 107.9(7) . . ?
B4A B9A H9A 122.5 . . ?
B12A B9A H9A 121.7 . . ?
B5A B9A H9A 122.1 . . ?
B10A B9A H9A 122.2 . . ?
B8A B9A H9A 121.7 . . ?
B6A B10A B12A 108.4(8) . . ?
B6A B10A B11A 59.6(6) . . ?
B12A B10A B11A 60.5(6) . . ?
B6A B10A B5A 61.1(6) . . ?
B12A B10A B5A 107.8(7) . . ?
B11A B10A B5A 108.4(8) . . ?
B6A B10A B9A 109.0(7) . . ?
B12A B10A B9A 59.6(5) . . ?
B11A B10A B9A 108.2(7) . . ?
B5A B10A B9A 59.9(5) . . ?
B6A B10A H10A 121.1 . . ?
B12A B10A H10A 121.8 . . ?
B11A B10A H10A 121.7 . . ?
B5A B10A H10A 121.4 . . ?
B9A B10A H10A 121.6 . . ?
B6A B11A C2A 60.8(5) . . ?
B6A B11A B10A 59.2(6) . . ?
C2A B11A B10A 105.3(7) . . ?
B6A B11A B12A 107.4(7) . . ?
C2A B11A B12A 104.1(6) . . ?
B10A B11A B12A 59.7(6) . . ?
B6A B11A B7A 109.4(7) . . ?
C2A B11A B7A 58.0(5) . . ?
B10A B11A B7A 108.6(7) . . ?
B12A B11A B7A 60.5(6) . . ?
B6A B11A H11A 120.8 . . ?
C2A B11A H11A 124.4 . . ?
B10A B11A H11A 122.4 . . ?
B12A B11A H11A 123.0 . . ?
B7A B11A H11A 120.9 . . ?
B10A B12A B9A 61.0(5) . . ?
B10A B12A B11A 59.9(6) . . ?
B9A B12A B11A 108.8(8) . . ?
B10A B12A B7A 108.8(8) . . ?
B9A B12A B7A 108.8(8) . . ?
B11A B12A B7A 60.5(6) . . ?
B10A B12A B8A 108.5(8) . . ?
B9A B12A B8A 60.2(5) . . ?
B11A B12A B8A 107.7(8) . . ?
B7A B12A B8A 59.6(6) . . ?
B10A B12A H12A 121.1 . . ?
B9A B12A H12A 120.9 . . ?
B11A B12A H12A 121.7 . . ?
B7A B12A H12A 121.3 . . ?
B8A B12A H12A 122.0 . . ?
C4A B13A C3A 57.4(4) . . ?
C4A B13A B17A 58.4(5) . . ?
C3A B13A B17A 105.0(7) . . ?
C4A B13A B14A 104.4(7) . . ?
C3A B13A B14A 57.7(5) . . ?
B17A B13A B14A 109.1(7) . . ?
C4A B13A B18A 105.2(6) . . ?
C3A B13A B18A 104.6(7) . . ?
B17A B13A B18A 61.1(5) . . ?
B14A B13A B18A 60.5(5) . . ?
C4A B13A H13A 124.6 . . ?
C3A B13A H13A 124.9 . . ?
B17A B13A H13A 121.3 . . ?
B14A B13A H13A 122.1 . . ?
B18A B13A H13A 122.4 . . ?
C3A B14A B15A 58.7(5) . . ?
C3A B14A B13A 59.9(5) . . ?
B15A B14A B13A 108.3(6) . . ?
C3A B14A B18A 105.7(7) . . ?
B15A B14A B18A 107.7(6) . . ?
B13A B14A B18A 59.8(5) . . ?
C3A B14A B19A 104.5(6) . . ?
B15A B14A B19A 59.4(5) . . ?
B13A B14A B19A 107.3(7) . . ?
B18A B14A B19A 59.6(5) . . ?
C3A B14A H14A 124.0 . . ?
B15A B14A H14A 121.7 . . ?
B13A B14A H14A 121.3 . . ?
B18A B14A H14A 122.3 . . ?
B19A B14A H14A 123.1 . . ?
C3A B15A B14A 58.4(5) . . ?
C3A B15A B19A 105.7(7) . . ?
B14A B15A B19A 61.1(5) . . ?
C3A B15A B16A 59.3(5) . . ?
B14A B15A B16A 108.2(7) . . ?
B19A B15A B16A 107.9(7) . . ?
C3A B15A B20A 105.5(7) . . ?
B14A B15A B20A 108.6(8) . . ?
B19A B15A B20A 59.6(5) . . ?
B16A B15A B20A 59.9(5) . . ?
C3A B15A H15A 124.2 . . ?
B14A B15A H15A 121.1 . . ?
B19A B15A H15A 122.0 . . ?
B16A B15A H15A 121.5 . . ?
B20A B15A H15A 122.2 . . ?
C4A B16A C3A 57.4(5) . . ?
C4A B16A B20A 104.7(7) . . ?
C3A B16A B20A 104.8(6) . . ?
C4A B16A B15A 104.1(6) . . ?
C3A B16A B15A 58.1(5) . . ?
B20A B16A B15A 60.1(5) . . ?
C4A B16A B21A 58.3(5) . . ?
C3A B16A B21A 104.9(7) . . ?
B20A B16A B21A 60.5(5) . . ?
B15A B16A B21A 108.2(7) . . ?
C4A B16A H16A 124.8 . . ?
C3A B16A H16A 124.6 . . ?
B20A B16A H16A 122.7 . . ?
B15A B16A H16A 122.4 . . ?
B21A B16A H16A 121.9 . . ?
C4A B17A B22A 104.6(7) . . ?
C4A B17A B13A 59.1(4) . . ?
B22A B17A B13A 107.9(7) . . ?
C4A B17A B21A 59.1(5) . . ?
B22A B17A B21A 59.8(5) . . ?
B13A B17A B21A 108.7(7) . . ?
C4A B17A B18A 104.7(6) . . ?
B22A B17A B18A 59.8(5) . . ?
B13A B17A B18A 59.9(5) . . ?
B21A B17A B18A 107.9(8) . . ?
C4A B17A H17A 124.6 . . ?
B22A B17A H17A 122.7 . . ?
B13A B17A H17A 121.2 . . ?
B21A B17A H17A 121.3 . . ?
B18A B17A H17A 122.6 . . ?
B22A B18A B13A 106.4(7) . . ?
B22A B18A B19A 60.6(5) . . ?
B13A B18A B19A 107.9(7) . . ?
B22A B18A B14A 108.1(7) . . ?
B13A B18A B14A 59.7(5) . . ?
B19A B18A B14A 60.5(5) . . ?
B22A B18A B17A 58.8(5) . . ?
B13A B18A B17A 59.0(5) . . ?
B19A B18A B17A 107.4(7) . . ?
B14A B18A B17A 106.8(6) . . ?
B22A B18A H18A 122.2 . . ?
B13A B18A H18A 122.6 . . ?
B19A B18A H18A 121.2 . . ?
B14A B18A H18A 121.7 . . ?
B17A B18A H18A 122.9 . . ?
B20A B19A B15A 60.4(5) . . ?
B20A B19A B18A 108.6(7) . . ?
B15A B19A B18A 107.9(6) . . ?
B20A B19A B22A 60.3(5) . . ?
B15A B19A B22A 107.7(7) . . ?
B18A B19A B22A 59.4(5) . . ?
B20A B19A B14A 107.9(6) . . ?
B15A B19A B14A 59.4(5) . . ?
B18A B19A B14A 59.9(5) . . ?
B22A B19A B14A 106.6(7) . . ?
B20A B19A H19A 121.1 . . ?
B15A B19A H19A 121.8 . . ?
B18A B19A H19A 121.7 . . ?
B22A B19A H19A 122.4 . . ?
B14A B19A H19A 122.4 . . ?
B19A B20A B16A 108.2(6) . . ?
B19A B20A B15A 60.0(5) . . ?
B16A B20A B15A 60.0(5) . . ?
B19A B20A B22A 60.7(5) . . ?
B16A B20A B22A 106.8(7) . . ?
B15A B20A B22A 107.5(7) . . ?
B19A B20A B21A 107.9(7) . . ?
B16A B20A B21A 59.9(5) . . ?
B15A B20A B21A 107.6(6) . . ?
B22A B20A B21A 58.7(6) . . ?
B19A B20A H20A 121.2 . . ?
B16A B20A H20A 122.0 . . ?
B15A B20A H20A 121.9 . . ?
B22A B20A H20A 122.5 . . ?
B21A B20A H20A 122.2 . . ?
C4A B21A B22A 104.0(6) . . ?
C4A B21A B17A 58.2(5) . . ?
B22A B21A B17A 59.7(5) . . ?
C4A B21A B16A 59.0(5) . . ?
B22A B21A B16A 107.9(7) . . ?
B17A B21A B16A 108.1(6) . . ?
C4A B21A B20A 104.4(6) . . ?
B22A B21A B20A 60.5(6) . . ?
B17A B21A B20A 108.2(7) . . ?
B16A B21A B20A 59.5(5) . . ?
C4A B21A H21A 125.2 . . ?
B22A B21A H21A 122.5 . . ?
B17A B21A H21A 121.5 . . ?
B16A B21A H21A 121.4 . . ?
B20A B21A H21A 122.3 . . ?
B17A B22A B21A 60.5(5) . . ?
B17A B22A B18A 61.4(5) . . ?
B21A B22A B18A 109.7(6) . . ?
B17A B22A B20A 109.0(7) . . ?
B21A B22A B20A 60.8(5) . . ?
B18A B22A B20A 108.0(6) . . ?
B17A B22A B19A 109.0(6) . . ?
B21A B22A B19A 108.3(7) . . ?
B18A B22A B19A 60.1(5) . . ?
B20A B22A B19A 59.0(5) . . ?
B17A B22A H22A 120.6 . . ?
B21A B22A H22A 120.9 . . ?
B18A B22A H22A 120.9 . . ?
B20A B22A H22A 121.8 . . ?
B19A B22A H22A 122.0 . . ?
C8B Co1B C6B 65.5(8) . . ?
C8B Co1B C5B 64.8(6) . . ?
C6B Co1B C5B 35.4(5) . . ?
C8B Co1B C7B 39.2(6) . . ?
C6B Co1B C7B 38.2(6) . . ?
C5B Co1B C7B 61.6(7) . . ?
C8B Co1B C9B 38.2(5) . . ?
C6B Co1B C9B 63.2(5) . . ?
C5B Co1B C9B 39.1(4) . . ?
C7B Co1B C9B 63.0(7) . . ?
C8B Co1B S2B 104.3(6) . . ?
C6B Co1B S2B 144.6(8) . . ?
C5B Co1B S2B 168.7(5) . . ?
C7B Co1B S2B 112.2(7) . . ?
C9B Co1B S2B 130.2(7) . . ?
C8B Co1B S1B 156.3(9) . . ?
C6B Co1B S1B 115.6(7) . . ?
C5B Co1B S1B 101.7(4) . . ?
C7B Co1B S1B 152.4(10) . . ?
C9B Co1B S1B 119.2(7) . . ?
S2B Co1B S1B 87.50(9) . . ?
C8B Co1B Ni1B 142.2(9) . . ?
C6B Co1B Ni1B 107.1(5) . . ?
C5B Co1B Ni1B 131.3(7) . . ?
C7B Co1B Ni1B 111.4(7) . . ?
C9B Co1B Ni1B 170.0(5) . . ?
S2B Co1B Ni1B 59.02(6) . . ?
S1B Co1B Ni1B 61.41(7) . . ?
C10B Co2B C11B 40.6(3) . . ?
C10B Co2B C13B 67.6(4) . . ?
C11B Co2B C13B 66.4(4) . . ?
C10B Co2B C12B 67.5(4) . . ?
C11B Co2B C12B 38.7(3) . . ?
C13B Co2B C12B 40.4(3) . . ?
C10B Co2B C14B 40.4(3) . . ?
C11B Co2B C14B 66.9(4) . . ?
C13B Co2B C14B 39.6(3) . . ?
C12B Co2B C14B 67.0(4) . . ?
C10B Co2B S3B 165.2(4) . . ?
C11B Co2B S3B 147.8(4) . . ?
C13B Co2B S3B 103.0(3) . . ?
C12B Co2B S3B 113.5(4) . . ?
C14B Co2B S3B 125.2(4) . . ?
C10B Co2B S4B 102.6(3) . . ?
C11B Co2B S4B 103.5(3) . . ?
C13B Co2B S4B 169.3(3) . . ?
C12B Co2B S4B 133.0(4) . . ?
C14B Co2B S4B 134.6(4) . . ?
S3B Co2B S4B 87.41(9) . . ?
C10B Co2B Ni1B 115.7(4) . . ?
C11B Co2B Ni1B 151.4(4) . . ?
C13B Co2B Ni1B 126.6(3) . . ?
C12B Co2B Ni1B 166.0(4) . . ?
C14B Co2B Ni1B 105.9(3) . . ?
S3B Co2B Ni1B 59.74(7) . . ?
S4B Co2B Ni1B 60.76(7) . . ?
S2B Ni1B S3B 140.24(9) . . ?
S2B Ni1B S4B 110.33(9) . . ?
S3B Ni1B S4B 83.02(8) . . ?
S2B Ni1B S1B 83.09(8) . . ?
S3B Ni1B S1B 116.39(9) . . ?
S4B Ni1B S1B 131.91(9) . . ?
S2B Ni1B Co2B 98.95(7) . . ?
S3B Ni1B Co2B 56.48(7) . . ?
S4B Ni1B Co2B 56.30(7) . . ?
S1B Ni1B Co2B 170.33(8) . . ?
S2B Ni1B Co1B 56.66(7) . . ?
S3B Ni1B Co1B 103.92(7) . . ?
S4B Ni1B Co1B 165.99(7) . . ?
S1B Ni1B Co1B 56.05(6) . . ?
Co2B Ni1B Co1B 117.29(6) . . ?
C1B S1B Co1B 101.7(3) . . ?
C1B S1B Ni1B 100.1(3) . . ?
Co1B S1B Ni1B 62.54(7) . . ?
C2B S2B Co1B 102.6(3) . . ?
C2B S2B Ni1B 101.7(2) . . ?
Co1B S2B Ni1B 64.32(7) . . ?
C3B S3B Co2B 101.8(3) . . ?
C3B S3B Ni1B 102.3(3) . . ?
Co2B S3B Ni1B 63.78(7) . . ?
C4B S4B Co2B 102.6(3) . . ?
C4B S4B Ni1B 101.4(2) . . ?
Co2B S4B Ni1B 62.94(7) . . ?
C2B C1B B3B 63.1(5) . . ?
C2B C1B B4B 111.0(6) . . ?
B3B C1B B4B 61.0(5) . . ?
C2B C1B B5B 110.7(6) . . ?
B3B C1B B5B 112.5(7) . . ?
B4B C1B B5B 61.5(5) . . ?
C2B C1B B6B 61.6(5) . . ?
B3B C1B B6B 114.2(6) . . ?
B4B C1B B6B 111.4(7) . . ?
B5B C1B B6B 61.0(5) . . ?
C2B C1B S1B 114.7(6) . . ?
B3B C1B S1B 117.2(6) . . ?
B4B C1B S1B 125.0(5) . . ?
B5B C1B S1B 123.3(6) . . ?
B6B C1B S1B 116.3(6) . . ?
C1B C2B B7B 111.9(7) . . ?
C1B C2B B11B 111.5(7) . . ?
B7B C2B B11B 62.1(5) . . ?
C1B C2B B6B 63.1(5) . . ?
B7B C2B B6B 113.3(7) . . ?
B11B C2B B6B 61.1(5) . . ?
C1B C2B B3B 61.1(5) . . ?
B7B C2B B3B 62.1(5) . . ?
B11B C2B B3B 112.4(7) . . ?
B6B C2B B3B 113.8(6) . . ?
C1B C2B S2B 112.4(6) . . ?
B7B C2B S2B 125.8(6) . . ?
B11B C2B S2B 124.1(6) . . ?
B6B C2B S2B 113.7(6) . . ?
B3B C2B S2B 118.3(6) . . ?
C4B C3B B15B 112.7(6) . . ?
C4B C3B B16B 61.0(5) . . ?
B15B C3B B16B 63.5(6) . . ?
C4B C3B B13B 62.7(5) . . ?
B15B C3B B13B 114.4(6) . . ?
B16B C3B B13B 114.5(6) . . ?
C4B C3B B14B 113.3(6) . . ?
B15B C3B B14B 63.4(5) . . ?
B16B C3B B14B 116.0(6) . . ?
B13B C3B B14B 62.0(5) . . ?
C4B C3B S3B 112.0(5) . . ?
B15B C3B S3B 123.8(6) . . ?
B16B C3B S3B 114.5(6) . . ?
B13B C3B S3B 115.4(6) . . ?
B14B C3B S3B 123.5(6) . . ?
C3B C4B B16B 61.6(5) . . ?
C3B C4B B21B 111.4(6) . . ?
B16B C4B B21B 62.7(5) . . ?
C3B C4B B13B 61.4(5) . . ?
B16B C4B B13B 113.9(6) . . ?
B21B C4B B13B 113.3(6) . . ?
C3B C4B B17B 109.3(6) . . ?
B16B C4B B17B 113.5(6) . . ?
B21B C4B B17B 62.8(5) . . ?
B13B C4B B17B 60.4(5) . . ?
C3B C4B S4B 114.2(5) . . ?
B16B C4B S4B 116.9(5) . . ?
B21B C4B S4B 124.8(6) . . ?
B13B C4B S4B 114.9(6) . . ?
B17B C4B S4B 124.4(5) . . ?
C6B C5B C9B 110.2(18) . . ?
C6B C5B Co1B 71.6(10) . . ?
C9B C5B Co1B 71.5(7) . . ?
C6B C5B H5BA 124.9 . . ?
C9B C5B H5BA 124.9 . . ?
Co1B C5B H5BA 124.9 . . ?
C5B C6B C7B 109(2) . . ?
C5B C6B Co1B 73.0(11) . . ?
C7B C6B Co1B 72.3(10) . . ?
C5B C6B H6BA 125.2 . . ?
C7B C6B H6BA 125.2 . . ?
Co1B C6B H6BA 125.2 . . ?
C6B C7B C8B 107.7(19) . . ?
C6B C7B Co1B 69.6(11) . . ?
C8B C7B Co1B 68.4(9) . . ?
C6B C7B H7BA 126.1 . . ?
C8B C7B H7BA 126.1 . . ?
Co1B C7B H7BA 126.1 . . ?
C9B C8B C7B 105.9(19) . . ?
C9B C8B Co1B 73.3(8) . . ?
C7B C8B Co1B 72.4(10) . . ?
C9B C8B H8BA 126.7 . . ?
C7B C8B H8BA 126.7 . . ?
Co1B C8B H8BA 126.7 . . ?
C8B C9B C5B 106.3(16) . . ?
C8B C9B Co1B 68.5(8) . . ?
C5B C9B Co1B 69.4(6) . . ?
C8B C9B H9BA 126.9 . . ?
C5B C9B H9BA 126.9 . . ?
Co1B C9B H9BA 126.9 . . ?
C11B C10B C14B 105.9(10) . . ?
C11B C10B Co2B 69.8(5) . . ?
C14B C10B Co2B 70.7(5) . . ?
C11B C10B H10D 127.0 . . ?
C14B C10B H10D 127.0 . . ?
Co2B C10B H10D 127.0 . . ?
C12B C11B C10B 110.1(10) . . ?
C12B C11B Co2B 71.1(6) . . ?
C10B C11B Co2B 69.7(5) . . ?
C12B C11B H11D 124.9 . . ?
C10B C11B H11D 124.9 . . ?
Co2B C11B H11D 124.9 . . ?
C11B C12B C13B 107.8(11) . . ?
C11B C12B Co2B 70.2(6) . . ?
C13B C12B Co2B 69.8(6) . . ?
C11B C12B H12D 126.1 . . ?
C13B C12B H12D 126.1 . . ?
Co2B C12B H12D 126.1 . . ?
C14B C13B C12B 107.9(11) . . ?
C14B C13B Co2B 70.6(6) . . ?
C12B C13B Co2B 69.8(6) . . ?
C14B C13B H13D 126.0 . . ?
C12B C13B H13D 126.0 . . ?
Co2B C13B H13D 126.0 . . ?
C13B C14B C10B 108.2(10) . . ?
C13B C14B Co2B 69.8(5) . . ?
C10B C14B Co2B 68.9(5) . . ?
C13B C14B H14D 125.9 . . ?
C10B C14B H14D 125.9 . . ?
Co2B C14B H14D 125.9 . . ?
C1B B3B B8B 106.9(8) . . ?
C1B B3B B4B 59.8(5) . . ?
B8B B3B B4B 61.2(6) . . ?
C1B B3B C2B 55.8(4) . . ?
B8B B3B C2B 105.1(7) . . ?
B4B B3B C2B 104.2(6) . . ?
C1B B3B B7B 104.0(6) . . ?
B8B B3B B7B 61.2(6) . . ?
B4B B3B B7B 109.2(8) . . ?
C2B B3B B7B 57.8(5) . . ?
C1B B3B H3B 124.3 . . ?
B8B B3B H3B 121.3 . . ?
B4B B3B H3B 121.3 . . ?
C2B B3B H3B 125.8 . . ?
B7B B3B H3B 122.1 . . ?
C1B B4B B3B 59.2(5) . . ?
C1B B4B B8B 104.7(7) . . ?
B3B B4B B8B 58.9(6) . . ?
C1B B4B B9B 106.4(7) . . ?
B3B B4B B9B 108.1(7) . . ?
B8B B4B B9B 60.1(5) . . ?
C1B B4B B5B 59.7(5) . . ?
B3B B4B B5B 109.5(7) . . ?
B8B B4B B5B 109.3(7) . . ?
B9B B4B B5B 61.4(5) . . ?
C1B B4B H4B 124.0 . . ?
B3B B4B H4B 121.5 . . ?
B8B B4B H4B 122.7 . . ?
B9B B4B H4B 121.6 . . ?
B5B B4B H4B 119.9 . . ?
C1B B5B B4B 58.7(5) . . ?
C1B B5B B6B 59.9(5) . . ?
B4B B5B B6B 108.2(8) . . ?
C1B B5B B9B 104.1(7) . . ?
B4B B5B B9B 59.3(5) . . ?
B6B B5B B9B 106.4(7) . . ?
C1B B5B B10B 104.1(7) . . ?
B4B B5B B10B 106.0(7) . . ?
B6B B5B B10B 59.0(5) . . ?
B9B B5B B10B 58.5(5) . . ?
C1B B5B H5B 124.3 . . ?
B4B B5B H5B 121.9 . . ?
B6B B5B H5B 121.4 . . ?
B9B B5B H5B 123.6 . . ?
B10B B5B H5B 123.9 . . ?
C2B B6B B11B 58.9(5) . . ?
C2B B6B C1B 55.3(4) . . ?
B11B B6B C1B 103.6(6) . . ?
C2B B6B B10B 104.7(7) . . ?
B11B B6B B10B 59.7(6) . . ?
C1B B6B B10B 105.5(7) . . ?
C2B B6B B5B 104.2(6) . . ?
B11B B6B B5B 108.8(8) . . ?
C1B B6B B5B 59.1(5) . . ?
B10B B6B B5B 61.5(6) . . ?
C2B B6B H6B 125.3 . . ?
B11B B6B H6B 122.3 . . ?
C1B B6B H6B 125.2 . . ?
B10B B6B H6B 122.2 . . ?
B5B B6B H6B 121.3 . . ?
C2B B7B B11B 59.2(5) . . ?
C2B B7B B12B 105.5(7) . . ?
B11B B7B B12B 59.8(6) . . ?
C2B B7B B3B 60.1(5) . . ?
B11B B7B B3B 108.4(7) . . ?
B12B B7B B3B 106.8(8) . . ?
C2B B7B B8B 104.5(7) . . ?
B11B B7B B8B 107.0(9) . . ?
B12B B7B B8B 59.7(6) . . ?
B3B B7B B8B 58.0(5) . . ?
C2B B7B H7B 123.7 . . ?
B11B B7B H7B 121.5 . . ?
B12B B7B H7B 122.6 . . ?
B3B B7B H7B 121.9 . . ?
B8B B7B H7B 123.6 . . ?
B3B B8B B4B 59.9(5) . . ?
B3B B8B B12B 109.3(8) . . ?
B4B B8B B12B 108.2(7) . . ?
B3B B8B B9B 108.8(7) . . ?
B4B B8B B9B 60.1(6) . . ?
B12B B8B B9B 60.3(6) . . ?
B3B B8B B7B 60.9(6) . . ?
B4B B8B B7B 107.9(7) . . ?
B12B B8B B7B 59.9(6) . . ?
B9B B8B B7B 108.1(7) . . ?
B3B B8B H8B 120.8 . . ?
B4B B8B H8B 122.0 . . ?
B12B B8B H8B 121.3 . . ?
B9B B8B H8B 121.5 . . ?
B7B B8B H8B 121.7 . . ?
B10B B9B B4B 107.8(7) . . ?
B10B B9B B8B 107.5(8) . . ?
B4B B9B B8B 59.8(6) . . ?
B10B B9B B12B 59.7(6) . . ?
B4B B9B B12B 107.6(8) . . ?
B8B B9B B12B 59.8(6) . . ?
B10B B9B B5B 60.8(5) . . ?
B4B B9B B5B 59.3(5) . . ?
B8B B9B B5B 107.4(8) . . ?
B12B B9B B5B 108.2(8) . . ?
B10B B9B H9B 121.7 . . ?
B4B B9B H9B 122.1 . . ?
B8B B9B H9B 122.2 . . ?
B12B B9B H9B 121.8 . . ?
B5B B9B H9B 121.7 . . ?
B11B B10B B6B 59.7(6) . . ?
B11B B10B B12B 60.2(6) . . ?
B6B B10B B12B 108.6(8) . . ?
B11B B10B B9B 108.3(8) . . ?
B6B B10B B9B 108.6(7) . . ?
B12B B10B B9B 60.5(6) . . ?
B11B B10B B5B 107.2(8) . . ?
B6B B10B B5B 59.5(5) . . ?
B12B B10B B5B 108.8(7) . . ?
B9B B10B B5B 60.7(5) . . ?
B11B B10B H10B 122.1 . . ?
B6B B10B H10B 121.7 . . ?
B12B B10B H10B 121.0 . . ?
B9B B10B H10B 121.0 . . ?
B5B B10B H10B 121.8 . . ?
C2B B11B B10B 106.3(7) . . ?
C2B B11B B6B 60.0(5) . . ?
B10B B11B B6B 60.6(6) . . ?
C2B B11B B7B 58.7(5) . . ?
B10B B11B B7B 109.1(8) . . ?
B6B B11B B7B 109.6(7) . . ?
C2B B11B B12B 105.7(7) . . ?
B10B B11B B12B 60.4(7) . . ?
B6B B11B B12B 109.5(9) . . ?
B7B B11B B12B 60.5(6) . . ?
C2B B11B H11B 124.0 . . ?
B10B B11B H11B 121.6 . . ?
B6B B11B H11B 120.2 . . ?
B7B B11B H11B 120.9 . . ?
B12B B11B H11B 121.8 . . ?
B11B B12B B10B 59.4(6) . . ?
B11B B12B B8B 107.5(8) . . ?
B10B B12B B8B 107.7(7) . . ?
B11B B12B B7B 59.7(6) . . ?
B10B B12B B7B 107.7(8) . . ?
B8B B12B B7B 60.4(6) . . ?
B11B B12B B9B 107.1(8) . . ?
B10B B12B B9B 59.8(6) . . ?
B8B B12B B9B 59.9(5) . . ?
B7B B12B B9B 108.2(7) . . ?
B11B B12B H12B 122.4 . . ?
B10B B12B H12B 122.1 . . ?
B8B B12B H12B 121.7 . . ?
B7B B12B H12B 121.5 . . ?
B9B B12B H12B 121.9 . . ?
C3B B13B C4B 55.8(5) . . ?
C3B B13B B17B 104.5(7) . . ?
C4B B13B B17B 59.9(5) . . ?
C3B B13B B18B 104.5(7) . . ?
C4B B13B B18B 106.1(7) . . ?
B17B B13B B18B 60.8(5) . . ?
C3B B13B B14B 59.0(5) . . ?
C4B B13B B14B 105.3(7) . . ?
B17B B13B B14B 109.5(7) . . ?
B18B B13B B14B 60.3(5) . . ?
C3B B13B H13B 125.5 . . ?
C4B B13B H13B 124.1 . . ?
B17B B13B H13B 121.2 . . ?
B18B B13B H13B 122.4 . . ?
B14B B13B H13B 121.4 . . ?
C3B B14B B13B 59.0(5) . . ?
C3B B14B B18B 103.7(7) . . ?
B13B B14B B18B 59.4(5) . . ?
C3B B14B B15B 57.0(5) . . ?
B13B B14B B15B 106.7(7) . . ?
B18B B14B B15B 107.0(8) . . ?
C3B B14B B19B 101.7(7) . . ?
B13B B14B B19B 106.3(7) . . ?
B18B B14B B19B 59.9(5) . . ?
B15B B14B B19B 58.8(6) . . ?
C3B B14B H14B 126.0 . . ?
B13B B14B H14B 122.0 . . ?
B18B B14B H14B 122.6 . . ?
B15B B14B H14B 122.6 . . ?
B19B B14B H14B 123.9 . . ?
C3B B15B B19B 105.1(7) . . ?
C3B B15B B20B 104.2(7) . . ?
B19B B15B B20B 59.2(6) . . ?
C3B B15B B16B 58.7(5) . . ?
B19B B15B B16B 107.2(7) . . ?
B20B B15B B16B 59.3(5) . . ?
C3B B15B B14B 59.6(5) . . ?
B19B B15B B14B 60.7(6) . . ?
B20B B15B B14B 108.3(7) . . ?
B16B B15B B14B 108.9(7) . . ?
C3B B15B H15B 124.5 . . ?
B19B B15B H15B 122.6 . . ?
B20B B15B H15B 123.0 . . ?
B16B B15B H15B 121.7 . . ?
B14B B15B H15B 120.4 . . ?
C4B B16B C3B 57.4(5) . . ?
C4B B16B B20B 106.0(7) . . ?
C3B B16B B20B 104.0(8) . . ?
C4B B16B B21B 59.3(5) . . ?
C3B B16B B21B 105.4(7) . . ?
B20B B16B B21B 61.6(5) . . ?
C4B B16B B15B 105.1(7) . . ?
C3B B16B B15B 57.8(5) . . ?
B20B B16B B15B 60.1(5) . . ?
B21B B16B B15B 109.8(7) . . ?
C4B B16B H16B 123.9 . . ?
C3B B16B H16B 125.2 . . ?
B20B B16B H16B 122.5 . . ?
B21B B16B H16B 120.7 . . ?
B15B B16B H16B 121.9 . . ?
C4B B17B B13B 59.7(5) . . ?
C4B B17B B22B 103.1(7) . . ?
B13B B17B B22B 107.5(7) . . ?
C4B B17B B18B 105.1(6) . . ?
B13B B17B B18B 59.7(5) . . ?
B22B B17B B18B 60.5(6) . . ?
C4B B17B B21B 57.5(5) . . ?
B13B B17B B21B 108.3(6) . . ?
B22B B17B B21B 59.9(6) . . ?
B18B B17B B21B 109.0(7) . . ?
C4B B17B H17B 125.3 . . ?
B13B B17B H17B 121.3 . . ?
B22B B17B H17B 123.1 . . ?
B18B B17B H17B 121.7 . . ?
B21B B17B H17B 121.4 . . ?
B13B B18B B14B 60.3(5) . . ?
B13B B18B B17B 59.5(5) . . ?
B14B B18B B17B 108.5(6) . . ?
B13B B18B B19B 107.6(7) . . ?
B14B B18B B19B 60.5(6) . . ?
B17B B18B B19B 107.2(8) . . ?
B13B B18B B22B 106.4(7) . . ?
B14B B18B B22B 107.9(8) . . ?
B17B B18B B22B 59.3(6) . . ?
B19B B18B B22B 59.3(6) . . ?
B13B B18B H18B 122.4 . . ?
B14B B18B H18B 121.0 . . ?
B17B B18B H18B 122.0 . . ?
B19B B18B H18B 122.0 . . ?
B22B B18B H18B 122.7 . . ?
B20B B19B B15B 60.6(5) . . ?
B20B B19B B22B 59.8(6) . . ?
B15B B19B B22B 107.9(7) . . ?
B20B B19B B18B 108.8(8) . . ?
B15B B19B B18B 108.2(7) . . ?
B22B B19B B18B 60.4(6) . . ?
B20B B19B B14B 109.3(7) . . ?
B15B B19B B14B 60.5(5) . . ?
B22B B19B B14B 107.9(7) . . ?
B18B B19B B14B 59.6(6) . . ?
B20B B19B H19B 120.9 . . ?
B15B B19B H19B 121.5 . . ?
B22B B19B H19B 122.0 . . ?
B18B B19B H19B 121.6 . . ?
B14B B19B H19B 121.4 . . ?
B19B B20B B22B 60.7(6) . . ?
B19B B20B B16B 108.9(8) . . ?
B22B B20B B16B 107.5(7) . . ?
B19B B20B B15B 60.1(6) . . ?
B22B B20B B15B 108.2(9) . . ?
B16B B20B B15B 60.6(5) . . ?
B19B B20B B21B 109.4(8) . . ?
B22B B20B B21B 60.2(6) . . ?
B16B B20B B21B 59.5(5) . . ?
B15B B20B B21B 108.6(7) . . ?
B19B B20B H20B 120.7 . . ?
B22B B20B H20B 121.8 . . ?
B16B B20B H20B 121.8 . . ?
B15B B20B H20B 121.4 . . ?
B21B B20B H20B 121.3 . . ?
C4B B21B B16B 58.1(5) . . ?
C4B B21B B22B 104.0(7) . . ?
B16B B21B B22B 105.7(8) . . ?
C4B B21B B20B 103.0(7) . . ?
B16B B21B B20B 58.9(5) . . ?
B22B B21B B20B 58.4(6) . . ?
C4B B21B B17B 59.7(5) . . ?
B16B B21B B17B 107.2(7) . . ?
B22B B21B B17B 58.9(6) . . ?
B20B B21B B17B 105.5(8) . . ?
C4B B21B H21B 124.7 . . ?
B16B B21B H21B 122.5 . . ?
B22B B21B H21B 123.7 . . ?
B20B B21B H21B 124.2 . . ?
B17B B21B H21B 122.0 . . ?
B20B B22B B17B 109.8(7) . . ?
B20B B22B B19B 59.5(6) . . ?
B17B B22B B19B 108.8(8) . . ?
B20B B22B B21B 61.4(6) . . ?
B17B B22B B21B 61.2(5) . . ?
B19B B22B B21B 109.5(7) . . ?
B20B B22B B18B 108.5(8) . . ?
B17B B22B B18B 60.3(6) . . ?
B19B B22B B18B 60.3(6) . . ?
B21B B22B B18B 109.9(7) . . ?
B20B B22B H22B 121.1 . . ?
B17B B22B H22B 120.8 . . ?
B19B B22B H22B 121.6 . . ?
B21B B22B H22B 120.0 . . ?
B18B B22B H22B 121.2 . . ?
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
Co1A C5A 2.026(8) . ?
Co1A C8A 2.035(9) . ?
Co1A C9A 2.043(8) . ?
Co1A C6A 2.046(10) . ?
Co1A C7A 2.050(11) . ?
Co1A S2A 2.208(2) . ?
Co1A S1A 2.210(2) . ?
Co1A Ni1A 2.3644(15) . ?
Co2A C11A 1.987(9) . ?
Co2A C10A 2.023(8) . ?
Co2A C12A 2.027(10) . ?
Co2A C13A 2.047(9) . ?
Co2A C14A 2.054(8) . ?
Co2A S3A 2.198(2) . ?
Co2A S4A 2.209(3) . ?
Co2A Ni1A 2.3710(17) . ?
Ni1A S3A 2.239(3) . ?
Ni1A S2A 2.240(2) . ?
Ni1A S4A 2.333(2) . ?
Ni1A S1A 2.348(2) . ?
S1A C1A 1.782(9) . ?
S2A C2A 1.780(8) . ?
S3A C3A 1.825(6) . ?
S4A C4A 1.813(7) . ?
C1A C2A 1.629(9) . ?
C1A B4A 1.688(13) . ?
C1A B5A 1.719(12) . ?
C1A B6A 1.751(11) . ?
C1A B3A 1.756(11) . ?
C2A B3A 1.696(10) . ?
C2A B7A 1.707(12) . ?
C2A B11A 1.737(12) . ?
C2A B6A 1.749(11) . ?
C3A C4A 1.639(10) . ?
C3A B14A 1.682(10) . ?
C3A B15A 1.686(11) . ?
C3A B16A 1.708(11) . ?
C3A B13A 1.721(12) . ?
C4A B17A 1.680(11) . ?
C4A B13A 1.691(11) . ?
C4A B21A 1.694(10) . ?
C4A B16A 1.707(12) . ?
C5A C9A 1.376(12) . ?
C5A C6A 1.418(12) . ?
C5A H5AA 0.9800 . ?
C6A C7A 1.357(12) . ?
C6A H6AA 0.9800 . ?
C7A C8A 1.407(13) . ?
C7A H7AA 0.9800 . ?
C8A C9A 1.390(12) . ?
C8A H8AA 0.9800 . ?
C9A H9AA 0.9800 . ?
C10A C11A 1.347(12) . ?
C10A C14A 1.372(11) . ?
C10A H10C 0.9800 . ?
C11A C12A 1.379(12) . ?
C11A H11C 0.9800 . ?
C12A C13A 1.371(11) . ?
C12A H12C 0.9800 . ?
C13A C14A 1.371(12) . ?
C13A H13C 0.9800 . ?
C14A H14C 0.9800 . ?
B3A B8A 1.672(14) . ?
B3A B7A 1.721(13) . ?
B3A B4A 1.755(13) . ?
B3A H3A 1.1000 . ?
B4A B8A 1.727(14) . ?
B4A B9A 1.741(14) . ?
B4A B5A 1.750(13) . ?
B4A H4A 1.1000 . ?
B5A B10A 1.756(14) . ?
B5A B9A 1.763(14) . ?
B5A B6A 1.766(13) . ?
B5A H5A 1.1000 . ?
B6A B10A 1.715(14) . ?
B6A B11A 1.722(13) . ?
B6A H6A 1.1000 . ?
B7A B8A 1.777(14) . ?
B7A B12A 1.784(14) . ?
B7A B11A 1.785(12) . ?
B7A H7A 1.1000 . ?
B8A B9A 1.774(13) . ?
B8A B12A 1.789(13) . ?
B8A H8A 1.1000 . ?
B9A B12A 1.749(13) . ?
B9A B10A 1.773(13) . ?
B9A H9A 1.1000 . ?
B10A B12A 1.745(13) . ?
B10A B11A 1.749(13) . ?
B10A H10A 1.1000 . ?
B11A B12A 1.759(14) . ?
B11A H11A 1.1000 . ?
B12A H12A 1.1000 . ?
B13A B17A 1.749(11) . ?
B13A B14A 1.763(13) . ?
B13A B18A 1.766(11) . ?
B13A H13A 1.1000 . ?
B14A B15A 1.758(13) . ?
B14A B18A 1.777(12) . ?
B14A B19A 1.788(12) . ?
B14A H14A 1.1000 . ?
B15A B19A 1.758(12) . ?
B15A B16A 1.764(12) . ?
B15A B20A 1.766(12) . ?
B15A H15A 1.1000 . ?
B16A B20A 1.762(11) . ?
B16A B21A 1.769(13) . ?
B16A H16A 1.1000 . ?
B17A B22A 1.742(13) . ?
B17A B21A 1.755(13) . ?
B17A B18A 1.788(13) . ?
B17A H17A 1.1000 . ?
B18A B22A 1.759(12) . ?
B18A B19A 1.772(13) . ?
B18A H18A 1.1000 . ?
B19A B20A 1.752(12) . ?
B19A B22A 1.781(13) . ?
B19A H19A 1.1000 . ?
B20A B22A 1.776(14) . ?
B20A B21A 1.780(13) . ?
B20A H20A 1.1000 . ?
B21A B22A 1.743(13) . ?
B21A H21A 1.1000 . ?
B22A H22A 1.1000 . ?
Co1B C8B 1.967(13) . ?
Co1B C6B 1.983(16) . ?
Co1B C5B 1.999(10) . ?
Co1B C7B 2.016(14) . ?
Co1B C9B 2.025(10) . ?
Co1B S2B 2.198(2) . ?
Co1B S1B 2.217(2) . ?
Co1B Ni1B 2.3712(15) . ?
Co2B C10B 2.027(9) . ?
Co2B C11B 2.029(9) . ?
Co2B C13B 2.040(10) . ?
Co2B C12B 2.040(10) . ?
Co2B C14B 2.052(9) . ?
Co2B S3B 2.194(2) . ?
Co2B S4B 2.206(2) . ?
Co2B Ni1B 2.3614(18) . ?
Ni1B S2B 2.256(2) . ?
Ni1B S3B 2.273(3) . ?
Ni1B S4B 2.314(2) . ?
Ni1B S1B 2.346(3) . ?
S1B C1B 1.786(8) . ?
S2B C2B 1.816(9) . ?
S3B C3B 1.852(7) . ?
S4B C4B 1.800(7) . ?
C1B C2B 1.613(10) . ?
C1B B3B 1.707(11) . ?
C1B B4B 1.718(12) . ?
C1B B5B 1.736(12) . ?
C1B B6B 1.749(10) . ?
C2B B7B 1.697(11) . ?
C2B B11B 1.705(12) . ?
C2B B6B 1.725(12) . ?
C2B B3B 1.740(11) . ?
C3B C4B 1.608(9) . ?
C3B B15B 1.662(11) . ?
C3B B16B 1.679(12) . ?
C3B B13B 1.707(11) . ?
C3B B14B 1.707(11) . ?
C4B B16B 1.669(11) . ?
C4B B21B 1.691(11) . ?
C4B B13B 1.727(12) . ?
C4B B17B 1.731(10) . ?
C5B C6B 1.210(17) . ?
C5B C9B 1.349(15) . ?
C5B H5BA 0.9800 . ?
C6B C7B 1.31(2) . ?
C6B H6BA 0.9800 . ?
C7B C8B 1.34(2) . ?
C7B H7BA 0.9800 . ?
C8B C9B 1.306(18) . ?
C8B H8BA 0.9800 . ?
C9B H9BA 0.9800 . ?
C10B C11B 1.406(12) . ?
C10B C14B 1.410(12) . ?
C10B H10D 0.9800 . ?
C11B C12B 1.350(11) . ?
C11B H11D 0.9800 . ?
C12B C13B 1.408(11) . ?
C12B H12D 0.9800 . ?
C13B C14B 1.386(12) . ?
C13B H13D 0.9800 . ?
C14B H14D 0.9800 . ?
B3B B8B 1.722(14) . ?
B3B B4B 1.739(14) . ?
B3B B7B 1.774(12) . ?
B3B H3B 1.1000 . ?
B4B B8B 1.762(13) . ?
B4B B9B 1.767(13) . ?
B4B B5B 1.767(13) . ?
B4B H4B 1.1000 . ?
B5B B6B 1.769(13) . ?
B5B B9B 1.803(13) . ?
B5B B10B 1.804(13) . ?
B5B H5B 1.1000 . ?
B6B B11B 1.742(13) . ?
B6B B10B 1.759(14) . ?
B6B H6B 1.1000 . ?
B7B B11B 1.755(13) . ?
B7B B12B 1.770(15) . ?
B7B B8B 1.779(14) . ?
B7B H7B 1.1000 . ?
B8B B12B 1.767(13) . ?
B8B B9B 1.768(14) . ?
B8B H8B 1.1000 . ?
B9B B10B 1.762(13) . ?
B9B B12B 1.775(14) . ?
B9B H9B 1.1000 . ?
B10B B11B 1.742(15) . ?
B10B B12B 1.759(14) . ?
B10B H10B 1.1000 . ?
B11B B12B 1.757(14) . ?
B11B H11B 1.1000 . ?
B12B H12B 1.1000 . ?
B13B B17B 1.738(12) . ?
B13B B18B 1.741(12) . ?
B13B B14B 1.757(13) . ?
B13B H13B 1.1000 . ?
B14B B18B 1.758(12) . ?
B14B B15B 1.771(14) . ?
B14B B19B 1.775(14) . ?
B14B H14B 1.1000 . ?
B15B B19B 1.740(12) . ?
B15B B20B 1.749(13) . ?
B15B B16B 1.759(13) . ?
B15B H15B 1.1000 . ?
B16B B20B 1.736(12) . ?
B16B B21B 1.747(12) . ?
B16B H16B 1.1000 . ?
B17B B22B 1.742(13) . ?
B17B B18B 1.760(13) . ?
B17B B21B 1.784(14) . ?
B17B H17B 1.1000 . ?
B18B B19B 1.763(14) . ?
B18B B22B 1.764(14) . ?
B18B H18B 1.1000 . ?
B19B B20B 1.724(15) . ?
B19B B22B 1.745(13) . ?
B19B H19B 1.1000 . ?
B20B B22B 1.730(14) . ?
B20B B21B 1.783(14) . ?
B20B H20B 1.1000 . ?
B21B B22B 1.761(13) . ?
B21B H21B 1.1000 . ?
B22B H22B 1.1000 . ?
