#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:38:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179120 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/82/4308228.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_4308228
loop_
_publ_author_name
'Zentaro Matsumoto'
'Takashi Aridomi'
'Asako Igashira-Kamiyama'
'Tatsuya Kawamoto'
'Takumi Konno'
_publ_section_title
;
Proton-Induced Cis-Trans Conversion of a Platinum(II) Center Coordinated
by l-Cysteinatocobalt(III) Metalloligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2968
_journal_page_last               2970
_journal_paper_doi               10.1021/ic070265f
_journal_volume                  46
_journal_year                    2007
_chemical_absolute_configuration rm
_chemical_formula_sum            'C28 H110 Cl8 Co4 N20 O33 Pt2 S4'
_chemical_formula_weight         2293.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.28(11)
_cell_angle_beta                 108.02(10)
_cell_angle_gamma                115.35(9)
_cell_formula_units_Z            1
_cell_length_a                   12.550(16)
_cell_length_b                   12.544(15)
_cell_length_c                   14.634(17)
_cell_measurement_reflns_used    17344
_cell_measurement_temperature    200(1)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     1911(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(1)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0872
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18035
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    4.974
_exptl_absorpt_correction_T_max  0.6361
_exptl_absorpt_correction_T_min  0.5225
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1146
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.103
_refine_diff_density_min         -1.621
_refine_diff_density_rms         0.167
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.013(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     881
_refine_ls_number_reflns         13688
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0591P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0943
_refine_ls_wR_factor_ref         0.1164
_reflns_number_gt                12012
_reflns_number_total             13688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070265f-file001_2.cif
_cod_data_source_block           '[2]'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1911(4)
_cod_database_code               4308228
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
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
Pt1 Pt 0.50120(3) 0.56327(3) -0.05360(2) 0.01463(9) Uani 1 1 d . . .
Pt2 Pt 0.04645(3) 0.37283(3) 0.28553(2) 0.01645(10) Uani 1 1 d . . .
Co1 Co 0.31085(12) 0.24540(12) -0.00361(10) 0.0139(3) Uani 1 1 d . G .
Co2 Co 0.68952(13) 0.82141(12) -0.15124(10) 0.0159(3) Uani 1 1 d . . .
Co3 Co 0.10092(14) 0.68750(14) 0.25424(12) 0.0151(3) Uani 1 1 d . . .
Co4 Co -0.06162(13) 0.28261(13) 0.49859(11) 0.0164(3) Uani 1 1 d . . .
Cl1 Cl 0.5673(2) 0.4494(2) -0.1310(2) 0.0221(5) Uani 1 1 d . . .
Cl2 Cl 0.4358(3) 0.6823(3) 0.0167(2) 0.0305(6) Uani 1 1 d . . .
Cl3 Cl 0.1384(3) 0.2462(3) 0.3097(2) 0.0301(6) Uani 1 1 d . . .
Cl4 Cl 0.0063(3) 0.3139(3) 0.1177(2) 0.0314(6) Uani 1 1 d . . .
Cl5 Cl -0.0457(3) 0.8183(3) 0.6011(3) 0.0390(7) Uani 1 1 d . . .
Cl6 Cl 0.7159(4) 0.2672(4) -0.2356(3) 0.0519(9) Uani 1 1 d D . .
Cl7 Cl -0.3765(3) 0.0738(3) 0.1272(2) 0.0305(6) Uani 1 1 d . . .
Cl8 Cl 0.5175(3) 0.0621(3) 0.3893(3) 0.0394(7) Uani 1 1 d . . .
S1 S 0.3112(2) 0.3823(2) -0.09629(19) 0.0160(5) Uani 1 1 d . . .
S2 S 0.6986(2) 0.7276(2) -0.02673(19) 0.0145(4) Uani 1 1 d . . .
S3 S -0.0363(2) 0.5026(2) 0.26232(19) 0.0170(5) Uani 1 1 d . . .
S4 S 0.0777(2) 0.4288(2) 0.44909(19) 0.0173(5) Uani 1 1 d . . .
O1 O -0.0500(8) 0.0799(8) -0.1748(8) 0.037(2) Uani 1 1 d . . .
O2 O -0.0118(8) 0.2321(10) -0.2509(7) 0.044(3) Uani 1 1 d . . .
O3 O 1.0177(8) 0.9355(7) 0.1669(6) 0.0231(16) Uani 1 1 d . . .
O4 O 1.0311(7) 0.9752(8) 0.0228(7) 0.0293(18) Uani 1 1 d . . .
O5 O -0.2004(8) 0.6941(8) 0.2343(7) 0.0298(18) Uani 1 1 d . . .
O6 O -0.3355(7) 0.4950(8) 0.1888(7) 0.034(2) Uani 1 1 d . . .
O7 O 0.1570(8) 0.5257(8) 0.7301(7) 0.0324(19) Uani 1 1 d . . .
O8 O 0.3234(8) 0.6365(7) 0.6900(7) 0.0318(19) Uani 1 1 d . . .
O9 O 0.0758(13) 0.9231(12) 0.6440(11) 0.081(5) Uani 1 1 d . . .
O10 O -0.1389(16) 0.8290(14) 0.6320(14) 0.085(5) Uani 1 1 d . . .
O11 O -0.0334(12) 0.7123(10) 0.6213(11) 0.060(3) Uani 1 1 d . . .
O12 O -0.0861(12) 0.8068(11) 0.4956(9) 0.056(3) Uani 1 1 d . . .
O16 O 0.765(2) 0.3908(16) -0.243(2) 0.105(8) Uiso 0.70 1 d PD A 1
O14 O 0.781(2) 0.256(3) -0.1472(16) 0.132(11) Uiso 0.70 1 d PD A 1
O15 O 0.7145(18) 0.2027(17) -0.3226(13) 0.073(5) Uiso 0.70 1 d PD A 1
O13 O 0.5848(10) 0.2220(11) -0.2505(10) 0.063(3) Uiso 1 1 d D A .
O17 O -0.3572(12) 0.0622(13) 0.0353(8) 0.060(3) Uani 1 1 d . . .
O18 O -0.4999(18) -0.0183(15) 0.1065(17) 0.124(9) Uani 1 1 d . . .
O19 O -0.3730(14) 0.1866(11) 0.1559(9) 0.067(4) Uani 1 1 d . . .
O20 O -0.2797(16) 0.0692(14) 0.2068(8) 0.078(5) Uani 1 1 d . . .
O21 O 0.4063(10) 0.2861(12) 0.6202(10) 0.059(3) Uani 1 1 d . . .
O22 O 0.1580(8) 0.1166(9) 0.5520(7) 0.036(2) Uani 1 1 d . . .
O23 O 0.4184(9) 0.2410(8) 0.4394(8) 0.038(2) Uani 1 1 d . . .
O24 O 0.4751(10) 0.4922(9) 0.4336(8) 0.050(3) Uani 1 1 d . . .
O25 O 0.5935(10) 0.7284(10) 0.2485(9) 0.047(3) Uani 1 1 d . . .
O26 O 0.5087(11) 0.7084(11) 0.5347(8) 0.050(3) Uani 1 1 d . . .
O27 O 0.6857(10) 0.5700(9) 0.3888(8) 0.045(2) Uani 1 1 d . . .
O28 O 0.3493(9) 0.5343(9) 0.2484(9) 0.042(2) Uani 1 1 d . . .
O29 O -0.0207(11) 0.5787(12) 0.9583(8) 0.059(3) Uani 1 1 d . . .
O30 O 0.5195(9) 0.8191(9) 0.3806(8) 0.038(2) Uani 1 1 d . . .
O31 O 0.1655(9) 0.0222(8) 0.3706(7) 0.0329(19) Uani 1 1 d . . .
O32 O 0.2718(17) 0.8965(17) 0.9365(14) 0.035(4) Uiso 0.50 1 d P B 1
O33 O 0.0972(17) 0.6719(17) 0.8157(15) 0.033(4) Uiso 0.50 1 d P C 1
O34 O 0.176(4) 0.674(4) 0.891(3) 0.106(11) Uiso 0.50 1 d P D 2
N6 N 0.1444(8) 0.2255(8) -0.0042(6) 0.0170(16) Uani 1 1 d . . .
H1 H 0.0892 0.1452 -0.0196 0.020 Uiso 1 1 calc R . .
H2 H 0.1564 0.2589 0.0576 0.020 Uiso 1 1 calc R . .
N7 N 0.4007(8) 0.3680(8) 0.1272(7) 0.0196(18) Uani 1 1 d . . .
H3 H 0.4852 0.4094 0.1412 0.024 Uiso 0.50 1 calc PR E 1
H4 H 0.3707 0.4216 0.1262 0.024 Uiso 0.50 1 calc PR E 1
H5 H 0.4720 0.4312 0.1285 0.024 Uiso 0.50 1 calc PR E 2
H6 H 0.3497 0.3966 0.1377 0.024 Uiso 0.50 1 calc PR E 2
N8 N 0.2989(9) 0.1226(9) 0.0772(8) 0.020(2) Uani 1 1 d . . .
H7 H 0.2189 0.0822 0.0752 0.024 Uiso 0.50 1 calc PR F 1
H8 H 0.3178 0.0678 0.0520 0.024 Uiso 0.50 1 calc PR F 1
H9 H 0.2199 0.0576 0.0507 0.024 Uiso 0.50 1 calc PR F 2
H10 H 0.3554 0.0964 0.0770 0.024 Uiso 0.50 1 calc PR F 2
N9 N 0.2305(8) 0.1147(8) -0.1305(7) 0.0207(18) Uani 1 1 d . . .
H11 H 0.1998 0.0403 -0.1188 0.025 Uiso 1 1 calc R G .
H12 H 0.1656 0.1193 -0.1748 0.025 Uiso 1 1 calc R . .
N10 N 0.4738(9) 0.2626(9) -0.0056(8) 0.0162(19) Uani 1 1 d . . .
H13 H 0.5191 0.3365 -0.0140 0.019 Uiso 1 1 calc R G .
H14 H 0.5200 0.2579 0.0532 0.019 Uiso 1 1 calc R . .
N11 N 0.8052(8) 0.9760(7) -0.0470(7) 0.0173(16) Uani 1 1 d . . .
H15 H 0.8733 1.0179 -0.0622 0.021 Uiso 1 1 calc R . .
H16 H 0.7643 1.0203 -0.0493 0.021 Uiso 1 1 calc R . .
N12 N 0.5845(9) 0.6658(8) -0.2517(8) 0.020(2) Uani 1 1 d . . .
H17 H 0.5426 0.6080 -0.2249 0.024 Uiso 1 1 calc R . .
H18 H 0.5258 0.6717 -0.3019 0.024 Uiso 1 1 calc R . .
N13 N 0.8364(9) 0.8121(9) -0.1628(7) 0.0236(19) Uani 1 1 d . . .
H19 H 0.8660 0.8593 -0.2013 0.028 Uiso 1 1 calc R . .
H20 H 0.8997 0.8386 -0.1022 0.028 Uiso 1 1 calc R . .
N14 N 0.6783(9) 0.9084(9) -0.2587(8) 0.027(2) Uani 1 1 d . . .
H21 H 0.7454 0.9844 -0.2366 0.033 Uiso 1 1 calc R . .
H22 H 0.6809 0.8684 -0.3116 0.033 Uiso 1 1 calc R . .
N15 N 0.5391(8) 0.8357(9) -0.1488(8) 0.0239(19) Uani 1 1 d . . .
H23 H 0.4673 0.7639 -0.1815 0.029 Uiso 1 1 calc R . .
H24 H 0.5466 0.8546 -0.0855 0.029 Uiso 1 1 calc R . .
N1 N -0.0501(7) 0.6734(8) 0.1452(7) 0.0187(17) Uani 1 1 d . . .
H25 H -0.0570 0.7407 0.1603 0.022 Uiso 1 1 calc R . .
H26 H -0.0346 0.6734 0.0891 0.022 Uiso 1 1 calc R . .
N2 N 0.1532(8) 0.6207(9) 0.1585(7) 0.0212(18) Uani 1 1 d . . .
H27 H 0.1784 0.5678 0.1816 0.025 Uiso 1 1 calc R . .
H28 H 0.0862 0.5800 0.0998 0.025 Uiso 1 1 calc R . .
N3 N 0.2067(8) 0.8505(8) 0.2377(7) 0.0201(18) Uani 1 1 d . . .
H29 H 0.1638 0.8931 0.2295 0.024 Uiso 1 1 calc R . .
H30 H 0.2798 0.8931 0.2920 0.024 Uiso 1 1 calc R . .
N4 N 0.2456(8) 0.6989(9) 0.3676(7) 0.0227(19) Uani 1 1 d . . .
H31 H 0.2284 0.6239 0.3758 0.027 Uiso 1 1 calc R . .
H32 H 0.3171 0.7302 0.3548 0.027 Uiso 1 1 calc R . .
N5 N 0.0689(8) 0.7655(9) 0.3563(8) 0.024(2) Uani 1 1 d . . .
H33 H 0.0969 0.8450 0.3577 0.029 Uiso 1 1 calc R . .
H34 H -0.0157 0.7299 0.3420 0.029 Uiso 1 1 calc R . .
N16 N 0.0930(8) 0.3135(8) 0.6129(6) 0.0185(17) Uani 1 1 d . . .
H35 H 0.0779 0.3216 0.6688 0.022 Uiso 1 1 calc R . .
H36 H 0.1029 0.2467 0.6059 0.022 Uiso 1 1 calc R . .
N17 N -0.2106(8) 0.2629(9) 0.3849(8) 0.025(2) Uani 1 1 d . . .
H37 H -0.1940 0.2635 0.3293 0.029 Uiso 1 1 calc R . .
H38 H -0.2796 0.1911 0.3744 0.029 Uiso 1 1 calc R . .
N18 N -0.0858(9) 0.4034(9) 0.5752(7) 0.0231(19) Uani 1 1 d . . .
H39 H -0.0798 0.3908 0.6358 0.028 Uiso 1 1 calc R . .
H40 H -0.0249 0.4797 0.5834 0.028 Uiso 1 1 calc R . .
N19 N -0.1720(8) 0.1517(9) 0.5476(7) 0.0241(19) Uani 1 1 d . . .
H41 H -0.1459 0.1766 0.6141 0.029 Uiso 1 1 calc R . .
H42 H -0.2538 0.1356 0.5194 0.029 Uiso 1 1 calc R . .
N20 N -0.0602(10) 0.1476(8) 0.4180(8) 0.025(2) Uani 1 1 d . . .
H43 H -0.0744 0.1548 0.3553 0.030 Uiso 1 1 calc R . .
H44 H 0.0169 0.1516 0.4439 0.030 Uiso 1 1 calc R . .
C1 C 0.1897(10) 0.4071(9) -0.0702(8) 0.0175(19) Uani 1 1 d . . .
H45 H 0.2264 0.4620 -0.0046 0.021 Uiso 1 1 calc R . .
H46 H 0.1545 0.4430 -0.1190 0.021 Uiso 1 1 calc R . .
C2 C 0.0850(9) 0.2820(9) -0.0754(7) 0.0164(19) Uani 1 1 d . . .
H47 H 0.0271 0.2969 -0.0507 0.020 Uiso 1 1 calc R . .
C3 C 0.0017(9) 0.1890(11) -0.1779(8) 0.023(2) Uani 1 1 d . . .
C4 C 0.4346(16) 0.3065(12) 0.2064(11) 0.016(4) Uiso 0.70(5) 1 d P G 2
H48 H 0.5123 0.3040 0.2114 0.019 Uiso 0.50 1 calc PR G 2
H49 H 0.4489 0.3516 0.2704 0.019 Uiso 0.50 1 calc PR G 2
C5 C 0.3267(18) 0.1804(16) 0.1787(13) 0.027(5) Uiso 0.70(5) 1 d P G 2
H50 H 0.3499 0.1347 0.2237 0.033 Uiso 0.50 1 calc PR G 2
H51 H 0.2520 0.1828 0.1828 0.033 Uiso 0.50 1 calc PR G 2
C6 C 0.3305(10) 0.1346(9) -0.1692(8) 0.019(2) Uani 1 1 d . G .
H52 H 0.3430 0.2003 -0.2018 0.023 Uiso 1 1 calc R . .
H53 H 0.3043 0.0611 -0.2180 0.023 Uiso 1 1 calc R . .
C7 C 0.4513(11) 0.1660(11) -0.0868(10) 0.026(2) Uani 1 1 d . G .
H54 H 0.5214 0.1953 -0.1092 0.031 Uiso 1 1 calc R . .
H55 H 0.4452 0.0945 -0.0635 0.031 Uiso 1 1 calc R . .
C8 C 0.7490(9) 0.8589(9) 0.0736(8) 0.0176(19) Uani 1 1 d . . .
H56 H 0.6779 0.8737 0.0689 0.021 Uiso 1 1 calc R . .
H57 H 0.7807 0.8445 0.1380 0.021 Uiso 1 1 calc R . .
C9 C 0.8547(10) 0.9675(9) 0.0604(8) 0.019(2) Uani 1 1 d . . .
H58 H 0.8742 1.0420 0.1055 0.023 Uiso 1 1 calc R . .
C10 C 0.9785(9) 0.9575(9) 0.0843(8) 0.018(2) Uani 1 1 d . . .
C11 C 0.6645(10) 0.6269(10) -0.2933(8) 0.022(2) Uani 1 1 d . . .
H59 H 0.6253 0.5386 -0.3136 0.026 Uiso 1 1 calc R . .
H60 H 0.6726 0.6587 -0.3502 0.026 Uiso 1 1 calc R . .
C12 C 0.7936(10) 0.6807(10) -0.2086(8) 0.022(2) Uani 1 1 d . . .
H61 H 0.7876 0.6347 -0.1588 0.027 Uiso 1 1 calc R . .
H62 H 0.8553 0.6760 -0.2332 0.027 Uiso 1 1 calc R . .
C13 C 0.5571(12) 0.9148(11) -0.2889(9) 0.028(2) Uani 1 1 d . . .
H63 H 0.4875 0.8400 -0.3375 0.034 Uiso 1 1 calc R . .
H64 H 0.5655 0.9827 -0.3184 0.034 Uiso 1 1 calc R . .
C14 C 0.5310(12) 0.9324(10) -0.1970(9) 0.027(2) Uani 1 1 d . . .
H65 H 0.5937 1.0126 -0.1524 0.032 Uiso 1 1 calc R . .
H66 H 0.4465 0.9249 -0.2142 0.032 Uiso 1 1 calc R . .
C15 C -0.1522(9) 0.4545(9) 0.1352(8) 0.020(2) Uani 1 1 d . . .
H67 H -0.1183 0.4372 0.0879 0.023 Uiso 1 1 calc R . .
H68 H -0.2310 0.3823 0.1255 0.023 Uiso 1 1 calc R . .
C16 C -0.1748(9) 0.5653(9) 0.1236(8) 0.017(2) Uani 1 1 d . . .
H69 H -0.2291 0.5488 0.0538 0.021 Uiso 1 1 calc R . .
C17 C -0.2422(10) 0.5862(10) 0.1867(9) 0.025(2) Uani 1 1 d . . .
C18 C 0.2599(12) 0.7217(12) 0.1439(10) 0.029(3) Uani 1 1 d . . .
H70 H 0.2624 0.6971 0.0802 0.035 Uiso 1 1 calc R . .
H71 H 0.3411 0.7428 0.1961 0.035 Uiso 1 1 calc R . .
C19 C 0.2357(12) 0.8299(12) 0.1477(10) 0.024(3) Uani 1 1 d . . .
H72 H 0.3105 0.9022 0.1510 0.028 Uiso 1 1 calc R . .
H73 H 0.1641 0.8143 0.0880 0.028 Uiso 1 1 calc R . .
C20 C 0.2649(11) 0.7760(12) 0.4568(9) 0.030(3) Uani 1 1 d . . .
H74 H 0.3169 0.8611 0.4603 0.036 Uiso 1 1 calc R . .
H75 H 0.3091 0.7573 0.5148 0.036 Uiso 1 1 calc R . .
C21 C 0.1360(11) 0.7541(11) 0.4552(8) 0.028(2) Uani 1 1 d . . .
H76 H 0.0886 0.6732 0.4629 0.033 Uiso 1 1 calc R . .
H77 H 0.1461 0.8143 0.5084 0.033 Uiso 1 1 calc R . .
C22 C 0.2244(9) 0.4316(10) 0.5280(8) 0.021(2) Uani 1 1 d . . .
H78 H 0.2317 0.3637 0.4986 0.025 Uiso 1 1 calc R . .
H79 H 0.2986 0.5072 0.5353 0.025 Uiso 1 1 calc R . .
C23 C 0.2163(9) 0.4216(10) 0.6283(8) 0.018(2) Uani 1 1 d . . .
H80 H 0.2856 0.4068 0.6665 0.022 Uiso 1 1 calc R . .
C24 C 0.2335(10) 0.5425(10) 0.6913(9) 0.022(2) Uani 1 1 d . . .
C25 C -0.2362(11) 0.3644(12) 0.4078(9) 0.029(2) Uani 1 1 d . . .
H81 H -0.3236 0.3425 0.3671 0.035 Uiso 1 1 calc R . .
H82 H -0.1790 0.4369 0.3945 0.035 Uiso 1 1 calc R . .
C26 C -0.2143(10) 0.3889(11) 0.5193(9) 0.026(2) Uani 1 1 d . . .
H83 H -0.2178 0.4625 0.5405 0.031 Uiso 1 1 calc R . .
H84 H -0.2795 0.3210 0.5310 0.031 Uiso 1 1 calc R . .
C27 C -0.1622(12) 0.0431(11) 0.5217(10) 0.030(3) Uani 1 1 d . . .
H85 H -0.2339 -0.0278 0.5240 0.036 Uiso 1 1 calc R . .
H86 H -0.0839 0.0507 0.5690 0.036 Uiso 1 1 calc R . .
C28 C -0.1620(11) 0.0272(10) 0.4173(9) 0.028(3) Uani 1 1 d . . .
H87 H -0.1426 -0.0377 0.4021 0.034 Uiso 1 1 calc R . .
H88 H -0.2447 0.0074 0.3681 0.034 Uiso 1 1 calc R . .
C29 C 0.379(4) 0.306(3) 0.197(3) 0.021(11) Uiso 0.30(5) 1 d P G 1
H89 H 0.2958 0.2885 0.1976 0.025 Uiso 0.50 1 calc PR G 1
H90 H 0.4434 0.3560 0.2625 0.025 Uiso 0.50 1 calc PR G 1
C30 C 0.382(7) 0.182(5) 0.172(5) 0.053(17) Uiso 0.30(5) 1 d P G 1
H91 H 0.4680 0.1994 0.1788 0.064 Uiso 0.50 1 calc PR G 1
H92 H 0.3581 0.1335 0.2170 0.064 Uiso 0.50 1 calc PR G 1
O14B O 0.780(3) 0.371(3) -0.143(3) 0.12(2) Uiso 0.30 1 d PD A 2
O16B O 0.764(4) 0.307(5) -0.300(3) 0.12(2) Uiso 0.30 1 d PD A 2
O35 O 0.244(4) 0.810(4) 0.712(4) 0.127(14) Uiso 0.50 1 d P . .
O15B O 0.760(3) 0.187(3) -0.185(2) 0.038(7) Uiso 0.30 1 d PD A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 176.83(12) . . ?
Cl2 Pt1 S1 94.80(15) . . ?
Cl1 Pt1 S1 86.52(15) . . ?
Cl2 Pt1 S2 93.74(15) . . ?
Cl1 Pt1 S2 84.85(15) . . ?
S1 Pt1 S2 171.24(9) . . ?
S3 Pt2 S4 85.20(13) . . ?
S3 Pt2 Cl3 177.83(11) . . ?
S4 Pt2 Cl3 95.03(14) . . ?
S3 Pt2 Cl4 93.48(14) . . ?
S4 Pt2 Cl4 177.75(11) . . ?
Cl3 Pt2 Cl4 86.36(14) . . ?
N10 Co1 N7 91.5(4) . . ?
N10 Co1 N6 178.9(4) . . ?
N7 Co1 N6 89.6(4) . . ?
N10 Co1 N9 84.7(4) . . ?
N7 Co1 N9 174.6(4) . . ?
N6 Co1 N9 94.2(4) . . ?
N10 Co1 N8 91.3(4) . . ?
N7 Co1 N8 85.0(4) . . ?
N6 Co1 N8 88.8(4) . . ?
N9 Co1 N8 91.3(4) . . ?
N10 Co1 S1 92.5(3) . . ?
N7 Co1 S1 95.4(3) . . ?
N6 Co1 S1 87.4(3) . . ?
N9 Co1 S1 88.6(3) . . ?
N8 Co1 S1 176.2(3) . . ?
N12 Co2 N13 86.3(4) . . ?
N12 Co2 N11 176.1(4) . . ?
N13 Co2 N11 90.2(4) . . ?
N12 Co2 N15 93.0(4) . . ?
N13 Co2 N15 175.6(4) . . ?
N11 Co2 N15 90.6(4) . . ?
N12 Co2 N14 89.6(5) . . ?
N13 Co2 N14 91.5(4) . . ?
N11 Co2 N14 92.2(4) . . ?
N15 Co2 N14 84.1(4) . . ?
N12 Co2 S2 91.8(3) . . ?
N13 Co2 S2 90.7(3) . . ?
N11 Co2 S2 86.5(3) . . ?
N15 Co2 S2 93.7(3) . . ?
N14 Co2 S2 177.4(3) . . ?
N5 Co3 N2 173.9(4) . . ?
N5 Co3 N4 84.8(4) . . ?
N2 Co3 N4 90.7(4) . . ?
N5 Co3 N1 92.7(4) . . ?
N2 Co3 N1 91.9(4) . . ?
N4 Co3 N1 176.8(4) . . ?
N5 Co3 N3 90.0(4) . . ?
N2 Co3 N3 86.1(4) . . ?
N4 Co3 N3 93.2(4) . . ?
N1 Co3 N3 88.9(4) . . ?
N5 Co3 S3 89.5(3) . . ?
N2 Co3 S3 94.9(3) . . ?
N4 Co3 S3 92.4(3) . . ?
N1 Co3 S3 85.5(3) . . ?
N3 Co3 S3 174.3(3) . . ?
N20 Co4 N17 89.5(4) . . ?
N20 Co4 N18 172.9(4) . . ?
N17 Co4 N18 86.2(4) . . ?
N20 Co4 N16 92.8(4) . . ?
N17 Co4 N16 176.4(4) . . ?
N18 Co4 N16 91.8(4) . . ?
N20 Co4 N19 85.1(4) . . ?
N17 Co4 N19 92.8(4) . . ?
N18 Co4 N19 89.4(4) . . ?
N16 Co4 N19 90.2(4) . . ?
N20 Co4 S4 93.0(3) . . ?
N17 Co4 S4 91.5(3) . . ?
N18 Co4 S4 92.8(3) . . ?
N16 Co4 S4 85.6(3) . . ?
N19 Co4 S4 175.3(3) . . ?
O9 Cl5 O10 113.5(11) . . ?
O9 Cl5 O12 105.1(8) . . ?
O10 Cl5 O12 107.9(9) . . ?
O9 Cl5 O11 109.3(9) . . ?
O10 Cl5 O11 111.6(7) . . ?
O12 Cl5 O11 109.2(8) . . ?
O16B Cl6 O14 125(2) . . ?
O16B Cl6 O13 124(2) . . ?
O14 Cl6 O13 110.1(13) . . ?
O16B Cl6 O16 55(2) . . ?
O14 Cl6 O16 113.3(15) . . ?
O13 Cl6 O16 107.6(11) . . ?
O16B Cl6 O15 49(2) . . ?
O14 Cl6 O15 116.3(14) . . ?
O13 Cl6 O15 105.3(9) . . ?
O16 Cl6 O15 103.7(12) . . ?
O16B Cl6 O15B 115(2) . . ?
O14 Cl6 O15B 35.2(15) . . ?
O13 Cl6 O15B 107.6(12) . . ?
O16 Cl6 O15B 140.2(15) . . ?
O15 Cl6 O15B 84.3(15) . . ?
O16B Cl6 O14B 108(2) . . ?
O14 Cl6 O14B 60(2) . . ?
O13 Cl6 O14B 100.7(16) . . ?
O16 Cl6 O14B 60(2) . . ?
O15 Cl6 O14B 152.8(18) . . ?
O15B Cl6 O14B 95.4(17) . . ?
O18 Cl7 O19 107.2(11) . . ?
O18 Cl7 O20 114.1(14) . . ?
O19 Cl7 O20 107.2(7) . . ?
O18 Cl7 O17 105.7(10) . . ?
O19 Cl7 O17 111.1(8) . . ?
O20 Cl7 O17 111.5(7) . . ?
C1 S1 Co1 96.5(4) . . ?
C1 S1 Pt1 112.4(3) . . ?
Co1 S1 Pt1 117.92(16) . . ?
C8 S2 Co2 97.2(4) . . ?
C8 S2 Pt1 113.4(3) . . ?
Co2 S2 Pt1 112.29(16) . . ?
C15 S3 Co3 96.5(4) . . ?
C15 S3 Pt2 110.0(4) . . ?
Co3 S3 Pt2 113.97(15) . . ?
C22 S4 Co4 97.8(4) . . ?
C22 S4 Pt2 109.0(4) . . ?
Co4 S4 Pt2 114.33(18) . . ?
C2 N6 Co1 114.6(6) . . ?
C29 N7 C4 26.5(17) . . ?
C29 N7 Co1 107.4(16) . . ?
C4 N7 Co1 108.0(7) . . ?
C30 N8 C5 30(3) . . ?
C30 N8 Co1 109(3) . . ?
C5 N8 Co1 108.7(9) . . ?
C6 N9 Co1 107.2(6) . . ?
C7 N10 Co1 111.1(7) . . ?
C9 N11 Co2 117.2(6) . . ?
C11 N12 Co2 112.0(6) . . ?
C12 N13 Co2 108.0(6) . . ?
C13 N14 Co2 109.9(7) . . ?
C14 N15 Co2 109.3(7) . . ?
C16 N1 Co3 116.9(7) . . ?
C18 N2 Co3 110.0(7) . . ?
C19 N3 Co3 107.8(7) . . ?
C20 N4 Co3 109.6(7) . . ?
C21 N5 Co3 109.9(7) . . ?
C23 N16 Co4 117.6(7) . . ?
C25 N17 Co4 108.8(7) . . ?
C26 N18 Co4 108.5(7) . . ?
C27 N19 Co4 108.4(7) . . ?
C28 N20 Co4 109.7(7) . . ?
C2 C1 S1 106.9(7) . . ?
N6 C2 C1 108.9(8) . . ?
N6 C2 C3 109.3(9) . . ?
C1 C2 C3 117.8(8) . . ?
O2 C3 O1 129.0(12) . . ?
O2 C3 C2 116.3(11) . . ?
O1 C3 C2 114.5(10) . . ?
C5 C4 N7 108.1(13) . . ?
N8 C5 C4 107.6(14) . . ?
N9 C6 C7 109.8(9) . . ?
C6 C7 N10 107.7(8) . . ?
C9 C8 S2 106.1(7) . . ?
C8 C9 N11 108.4(8) . . ?
C8 C9 C10 112.3(8) . . ?
N11 C9 C10 110.5(8) . . ?
O4 C10 O3 127.0(10) . . ?
O4 C10 C9 118.1(10) . . ?
O3 C10 C9 114.8(9) . . ?
C12 C11 N12 105.1(8) . . ?
N13 C12 C11 109.0(9) . . ?
N14 C13 C14 107.3(10) . . ?
N15 C14 C13 106.5(9) . . ?
C16 C15 S3 103.8(7) . . ?
N1 C16 C17 112.4(9) . . ?
N1 C16 C15 108.1(8) . . ?
C17 C16 C15 112.9(9) . . ?
O6 C17 O5 124.4(12) . . ?
O6 C17 C16 117.7(10) . . ?
O5 C17 C16 117.9(10) . . ?
N2 C18 C19 107.2(9) . . ?
N3 C19 C18 109.1(10) . . ?
N4 C20 C21 108.8(9) . . ?
N5 C21 C20 105.2(9) . . ?
C23 C22 S4 107.0(7) . . ?
N16 C23 C22 108.9(8) . . ?
N16 C23 C24 111.3(8) . . ?
C22 C23 C24 113.4(9) . . ?
O7 C24 O8 132.6(11) . . ?
O7 C24 C23 115.0(10) . . ?
O8 C24 C23 112.4(10) . . ?
N17 C25 C26 107.2(9) . . ?
N18 C26 C25 106.9(9) . . ?
N19 C27 C28 109.2(10) . . ?
N20 C28 C27 105.5(9) . . ?
N7 C29 C30 110(4) . . ?
N8 C30 C29 107(5) . . ?
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
Pt1 Cl2 2.290(3) . ?
Pt1 Cl1 2.304(3) . ?
Pt1 S1 2.327(5) . ?
Pt1 S2 2.327(4) . ?
Pt2 S3 2.275(3) . ?
Pt2 S4 2.291(4) . ?
Pt2 Cl3 2.324(4) . ?
Pt2 Cl4 2.327(4) . ?
Co1 N10 1.972(10) . ?
Co1 N7 1.984(10) . ?
Co1 N6 1.992(8) . ?
Co1 N9 2.004(9) . ?
Co1 N8 2.011(11) . ?
Co1 S1 2.283(4) . ?
Co2 N12 1.944(10) . ?
Co2 N13 1.953(9) . ?
Co2 N11 1.967(9) . ?
Co2 N15 1.982(9) . ?
Co2 N14 1.999(10) . ?
Co2 S2 2.258(4) . ?
Co3 N5 1.947(10) . ?
Co3 N2 1.980(9) . ?
Co3 N4 1.984(10) . ?
Co3 N1 1.990(9) . ?
Co3 N3 1.992(9) . ?
Co3 S3 2.262(4) . ?
Co4 N20 1.982(10) . ?
Co4 N17 1.983(10) . ?
Co4 N18 1.985(9) . ?
Co4 N16 1.985(9) . ?
Co4 N19 2.003(10) . ?
Co4 S4 2.286(4) . ?
Cl5 O9 1.408(13) . ?
Cl5 O10 1.428(13) . ?
Cl5 O12 1.441(12) . ?
Cl5 O11 1.449(12) . ?
Cl6 O16B 1.30(2) . ?
Cl6 O14 1.355(17) . ?
Cl6 O13 1.425(11) . ?
Cl6 O16 1.431(17) . ?
Cl6 O15 1.436(15) . ?
Cl6 O15B 1.492(19) . ?
Cl6 O14B 1.52(2) . ?
Cl7 O18 1.392(15) . ?
Cl7 O19 1.416(10) . ?
Cl7 O20 1.426(12) . ?
Cl7 O17 1.444(11) . ?
S1 C1 1.820(10) . ?
S2 C8 1.832(11) . ?
S3 C15 1.819(11) . ?
S4 C22 1.830(11) . ?
O1 C3 1.251(15) . ?
O2 C3 1.239(15) . ?
O3 C10 1.261(14) . ?
O4 C10 1.254(14) . ?
O5 C17 1.259(15) . ?
O6 C17 1.250(14) . ?
O7 C24 1.213(14) . ?
O8 C24 1.242(14) . ?
N6 C2 1.500(13) . ?
N7 C29 1.36(4) . ?
N7 C4 1.503(17) . ?
N8 C30 1.35(6) . ?
N8 C5 1.46(2) . ?
N9 C6 1.468(12) . ?
N10 C7 1.481(14) . ?
N11 C9 1.533(14) . ?
N12 C11 1.535(13) . ?
N13 C12 1.507(14) . ?
N14 C13 1.486(15) . ?
N15 C14 1.482(14) . ?
N1 C16 1.478(12) . ?
N2 C18 1.489(14) . ?
N3 C19 1.499(15) . ?
N4 C20 1.439(15) . ?
N5 C21 1.488(16) . ?
N16 C23 1.489(13) . ?
N17 C25 1.474(15) . ?
N18 C26 1.485(14) . ?
N19 C27 1.446(16) . ?
N20 C28 1.500(15) . ?
C1 C2 1.532(14) . ?
C2 C3 1.538(16) . ?
C4 C5 1.49(2) . ?
C6 C7 1.475(16) . ?
C8 C9 1.520(14) . ?
C9 C10 1.546(14) . ?
C11 C12 1.512(15) . ?
C13 C14 1.499(17) . ?
C15 C16 1.546(13) . ?
C16 C17 1.506(16) . ?
C18 C19 1.512(17) . ?
C20 C21 1.513(16) . ?
C22 C23 1.515(14) . ?
C23 C24 1.592(15) . ?
C25 C26 1.546(17) . ?
C27 C28 1.523(17) . ?
C29 C30 1.59(7) . ?
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
N10 Co1 S1 C1 -164.8(4) . . . . ?
N7 Co1 S1 C1 -73.0(4) . . . . ?
N6 Co1 S1 C1 16.4(4) . . . . ?
N9 Co1 S1 C1 110.6(4) . . . . ?
N8 Co1 S1 C1 22(5) . . . . ?
N10 Co1 S1 Pt1 -45.2(3) . . . . ?
N7 Co1 S1 Pt1 46.6(3) . . . . ?
N6 Co1 S1 Pt1 136.0(3) . . . . ?
N9 Co1 S1 Pt1 -129.8(3) . . . . ?
N8 Co1 S1 Pt1 142(5) . . . . ?
Cl2 Pt1 S1 C1 5.3(4) . . . . ?
Cl1 Pt1 S1 C1 -171.8(4) . . . . ?
S2 Pt1 S1 C1 -161.8(6) . . . . ?
Cl2 Pt1 S1 Co1 -105.61(17) . . . . ?
Cl1 Pt1 S1 Co1 77.27(16) . . . . ?
S2 Pt1 S1 Co1 87.3(6) . . . . ?
N12 Co2 S2 C8 -162.2(4) . . . . ?
N13 Co2 S2 C8 111.5(4) . . . . ?
N11 Co2 S2 C8 21.3(4) . . . . ?
N15 Co2 S2 C8 -69.1(4) . . . . ?
N14 Co2 S2 C8 -38(7) . . . . ?
N12 Co2 S2 Pt1 -43.2(3) . . . . ?
N13 Co2 S2 Pt1 -129.5(3) . . . . ?
N11 Co2 S2 Pt1 140.3(3) . . . . ?
N15 Co2 S2 Pt1 50.0(3) . . . . ?
N14 Co2 S2 Pt1 81(7) . . . . ?
Cl2 Pt1 S2 C8 22.7(4) . . . . ?
Cl1 Pt1 S2 C8 -160.2(4) . . . . ?
S1 Pt1 S2 C8 -170.2(6) . . . . ?
Cl2 Pt1 S2 Co2 -86.36(17) . . . . ?
Cl1 Pt1 S2 Co2 90.80(16) . . . . ?
S1 Pt1 S2 Co2 80.8(6) . . . . ?
N5 Co3 S3 C15 116.9(5) . . . . ?
N2 Co3 S3 C15 -67.5(5) . . . . ?
N4 Co3 S3 C15 -158.3(4) . . . . ?
N1 Co3 S3 C15 24.1(4) . . . . ?
N3 Co3 S3 C15 32(3) . . . . ?
N5 Co3 S3 Pt2 -127.8(3) . . . . ?
N2 Co3 S3 Pt2 47.9(3) . . . . ?
N4 Co3 S3 Pt2 -43.0(3) . . . . ?
N1 Co3 S3 Pt2 139.4(3) . . . . ?
N3 Co3 S3 Pt2 147(3) . . . . ?
S4 Pt2 S3 C15 -152.8(4) . . . . ?
Cl3 Pt2 S3 C15 111(3) . . . . ?
Cl4 Pt2 S3 C15 25.3(4) . . . . ?
S4 Pt2 S3 Co3 100.1(2) . . . . ?
Cl3 Pt2 S3 Co3 4(3) . . . . ?
Cl4 Pt2 S3 Co3 -81.7(2) . . . . ?
N20 Co4 S4 C22 -76.7(5) . . . . ?
N17 Co4 S4 C22 -166.3(5) . . . . ?
N18 Co4 S4 C22 107.4(5) . . . . ?
N16 Co4 S4 C22 15.8(4) . . . . ?
N19 Co4 S4 C22 -11(4) . . . . ?
N20 Co4 S4 Pt2 38.3(3) . . . . ?
N17 Co4 S4 Pt2 -51.3(3) . . . . ?
N18 Co4 S4 Pt2 -137.6(3) . . . . ?
N16 Co4 S4 Pt2 130.8(3) . . . . ?
N19 Co4 S4 Pt2 104(4) . . . . ?
S3 Pt2 S4 C22 -145.6(4) . . . . ?
Cl3 Pt2 S4 C22 32.2(4) . . . . ?
Cl4 Pt2 S4 C22 160(3) . . . . ?
S3 Pt2 S4 Co4 106.09(16) . . . . ?
Cl3 Pt2 S4 Co4 -76.08(17) . . . . ?
Cl4 Pt2 S4 Co4 52(3) . . . . ?
N10 Co1 N6 C2 -75(20) . . . . ?
N7 Co1 N6 C2 106.7(7) . . . . ?
N9 Co1 N6 C2 -77.1(7) . . . . ?
N8 Co1 N6 C2 -168.3(7) . . . . ?
S1 Co1 N6 C2 11.3(7) . . . . ?
N10 Co1 N7 C29 -106(2) . . . . ?
N6 Co1 N7 C29 74(2) . . . . ?
N9 Co1 N7 C29 -61(4) . . . . ?
N8 Co1 N7 C29 -15(2) . . . . ?
S1 Co1 N7 C29 161(2) . . . . ?
N10 Co1 N7 C4 -78.2(8) . . . . ?
N6 Co1 N7 C4 101.8(8) . . . . ?
N9 Co1 N7 C4 -33(4) . . . . ?
N8 Co1 N7 C4 12.9(8) . . . . ?
S1 Co1 N7 C4 -170.9(8) . . . . ?
N10 Co1 N8 C30 75(3) . . . . ?
N7 Co1 N8 C30 -16(3) . . . . ?
N6 Co1 N8 C30 -106(3) . . . . ?
N9 Co1 N8 C30 160(3) . . . . ?
S1 Co1 N8 C30 -112(6) . . . . ?
N10 Co1 N8 C5 106.8(10) . . . . ?
N7 Co1 N8 C5 15.4(10) . . . . ?
N6 Co1 N8 C5 -74.4(10) . . . . ?
N9 Co1 N8 C5 -168.5(10) . . . . ?
S1 Co1 N8 C5 -80(5) . . . . ?
N10 Co1 N9 C6 -19.0(7) . . . . ?
N7 Co1 N9 C6 -64(4) . . . . ?
N6 Co1 N9 C6 160.9(7) . . . . ?
N8 Co1 N9 C6 -110.2(8) . . . . ?
S1 Co1 N9 C6 73.6(7) . . . . ?
N7 Co1 N10 C7 169.4(8) . . . . ?
N6 Co1 N10 C7 -9(20) . . . . ?
N9 Co1 N10 C7 -6.8(8) . . . . ?
N8 Co1 N10 C7 84.3(8) . . . . ?
S1 Co1 N10 C7 -95.2(7) . . . . ?
N12 Co2 N11 C9 -61(6) . . . . ?
N13 Co2 N11 C9 -86.5(7) . . . . ?
N15 Co2 N11 C9 97.9(7) . . . . ?
N14 Co2 N11 C9 -178.0(7) . . . . ?
S2 Co2 N11 C9 4.2(6) . . . . ?
N13 Co2 N12 C11 -6.1(7) . . . . ?
N11 Co2 N12 C11 -32(6) . . . . ?
N15 Co2 N12 C11 169.5(7) . . . . ?
N14 Co2 N12 C11 85.4(8) . . . . ?
S2 Co2 N12 C11 -96.8(7) . . . . ?
N12 Co2 N13 C12 -20.0(7) . . . . ?
N11 Co2 N13 C12 158.4(7) . . . . ?
N15 Co2 N13 C12 -101(5) . . . . ?
N14 Co2 N13 C12 -109.5(7) . . . . ?
S2 Co2 N13 C12 71.8(7) . . . . ?
N12 Co2 N14 C13 83.1(8) . . . . ?
N13 Co2 N14 C13 169.4(8) . . . . ?
N11 Co2 N14 C13 -100.3(8) . . . . ?
N15 Co2 N14 C13 -9.9(7) . . . . ?
S2 Co2 N14 C13 -41(7) . . . . ?
N12 Co2 N15 C14 -108.1(8) . . . . ?
N13 Co2 N15 C14 -27(6) . . . . ?
N11 Co2 N15 C14 73.3(8) . . . . ?
N14 Co2 N15 C14 -18.8(8) . . . . ?
S2 Co2 N15 C14 159.9(7) . . . . ?
N5 Co3 N1 C16 -85.2(8) . . . . ?
N2 Co3 N1 C16 98.7(8) . . . . ?
N4 Co3 N1 C16 -45(7) . . . . ?
N3 Co3 N1 C16 -175.2(8) . . . . ?
S3 Co3 N1 C16 4.0(7) . . . . ?
N5 Co3 N2 C18 -38(4) . . . . ?
N4 Co3 N2 C18 -80.7(8) . . . . ?
N1 Co3 N2 C18 101.2(8) . . . . ?
N3 Co3 N2 C18 12.5(8) . . . . ?
S3 Co3 N2 C18 -173.2(7) . . . . ?
N5 Co3 N3 C19 -170.4(8) . . . . ?
N2 Co3 N3 C19 14.3(7) . . . . ?
N4 Co3 N3 C19 104.8(8) . . . . ?
N1 Co3 N3 C19 -77.7(8) . . . . ?
S3 Co3 N3 C19 -85(3) . . . . ?
N5 Co3 N4 C20 -11.1(8) . . . . ?
N2 Co3 N4 C20 164.7(8) . . . . ?
N1 Co3 N4 C20 -52(7) . . . . ?
N3 Co3 N4 C20 78.6(8) . . . . ?
S3 Co3 N4 C20 -100.4(8) . . . . ?
N2 Co3 N5 C21 -60(4) . . . . ?
N4 Co3 N5 C21 -17.5(7) . . . . ?
N1 Co3 N5 C21 160.3(7) . . . . ?
N3 Co3 N5 C21 -110.8(8) . . . . ?
S3 Co3 N5 C21 74.9(7) . . . . ?
N20 Co4 N16 C23 103.5(7) . . . . ?
N17 Co4 N16 C23 -25(6) . . . . ?
N18 Co4 N16 C23 -82.0(7) . . . . ?
N19 Co4 N16 C23 -171.5(7) . . . . ?
S4 Co4 N16 C23 10.6(6) . . . . ?
N20 Co4 N17 C25 -171.6(8) . . . . ?
N18 Co4 N17 C25 14.1(8) . . . . ?
N16 Co4 N17 C25 -43(6) . . . . ?
N19 Co4 N17 C25 103.4(8) . . . . ?
S4 Co4 N17 C25 -78.6(7) . . . . ?
N20 Co4 N18 C26 -39(4) . . . . ?
N17 Co4 N18 C26 14.9(8) . . . . ?
N16 Co4 N18 C26 -168.1(8) . . . . ?
N19 Co4 N18 C26 -77.9(8) . . . . ?
S4 Co4 N18 C26 106.2(7) . . . . ?
N20 Co4 N19 C27 15.0(8) . . . . ?
N17 Co4 N19 C27 104.2(8) . . . . ?
N18 Co4 N19 C27 -169.6(8) . . . . ?
N16 Co4 N19 C27 -77.8(8) . . . . ?
S4 Co4 N19 C27 -51(4) . . . . ?
N17 Co4 N20 C28 -79.1(8) . . . . ?
N18 Co4 N20 C28 -26(4) . . . . ?
N16 Co4 N20 C28 103.8(8) . . . . ?
N19 Co4 N20 C28 13.8(8) . . . . ?
S4 Co4 N20 C28 -170.5(8) . . . . ?
Co1 S1 C1 C2 -41.7(7) . . . . ?
Pt1 S1 C1 C2 -165.6(5) . . . . ?
Co1 N6 C2 C1 -42.1(9) . . . . ?
Co1 N6 C2 C3 87.9(8) . . . . ?
S1 C1 C2 N6 56.0(9) . . . . ?
S1 C1 C2 C3 -69.2(10) . . . . ?
N6 C2 C3 O2 -152.4(9) . . . . ?
C1 C2 C3 O2 -27.4(13) . . . . ?
N6 C2 C3 O1 32.1(11) . . . . ?
C1 C2 C3 O1 157.1(9) . . . . ?
C29 N7 C4 C5 54(4) . . . . ?
Co1 N7 C4 C5 -38.6(15) . . . . ?
C30 N8 C5 C4 54(5) . . . . ?
Co1 N8 C5 C4 -40.6(17) . . . . ?
N7 C4 C5 N8 52.5(18) . . . . ?
Co1 N9 C6 C7 41.9(10) . . . . ?
N9 C6 C7 N10 -48.2(12) . . . . ?
Co1 N10 C7 C6 31.2(11) . . . . ?
Co2 S2 C8 C9 -45.0(7) . . . . ?
Pt1 S2 C8 C9 -163.1(6) . . . . ?
S2 C8 C9 N11 52.8(9) . . . . ?
S2 C8 C9 C10 -69.5(9) . . . . ?
Co2 N11 C9 C8 -35.4(10) . . . . ?
Co2 N11 C9 C10 88.0(8) . . . . ?
C8 C9 C10 O4 131.2(10) . . . . ?
N11 C9 C10 O4 10.1(12) . . . . ?
C8 C9 C10 O3 -50.8(12) . . . . ?
N11 C9 C10 O3 -172.0(8) . . . . ?
Co2 N12 C11 C12 30.3(10) . . . . ?
Co2 N13 C12 C11 42.8(10) . . . . ?
N12 C11 C12 N13 -46.6(11) . . . . ?
Co2 N14 C13 C14 36.2(11) . . . . ?
Co2 N15 C14 C13 43.3(11) . . . . ?
N14 C13 C14 N15 -51.6(12) . . . . ?
Co3 S3 C15 C16 -48.5(7) . . . . ?
Pt2 S3 C15 C16 -166.9(5) . . . . ?
Co3 N1 C16 C17 87.6(9) . . . . ?
Co3 N1 C16 C15 -37.7(10) . . . . ?
S3 C15 C16 N1 57.3(9) . . . . ?
S3 C15 C16 C17 -67.7(9) . . . . ?
N1 C16 C17 O6 -166.5(9) . . . . ?
C15 C16 C17 O6 -43.8(13) . . . . ?
N1 C16 C17 O5 12.9(14) . . . . ?
C15 C16 C17 O5 135.6(10) . . . . ?
Co3 N2 C18 C19 -36.1(11) . . . . ?
Co3 N3 C19 C18 -38.2(11) . . . . ?
N2 C18 C19 N3 48.9(13) . . . . ?
Co3 N4 C20 C21 37.0(12) . . . . ?
Co3 N5 C21 C20 40.8(11) . . . . ?
N4 C20 C21 N5 -50.6(13) . . . . ?
Co4 S4 C22 C23 -40.1(7) . . . . ?
Pt2 S4 C22 C23 -159.3(6) . . . . ?
Co4 N16 C23 C22 -40.3(10) . . . . ?
Co4 N16 C23 C24 85.4(9) . . . . ?
S4 C22 C23 N16 52.5(10) . . . . ?
S4 C22 C23 C24 -72.0(9) . . . . ?
N16 C23 C24 O7 11.4(14) . . . . ?
C22 C23 C24 O7 134.7(10) . . . . ?
N16 C23 C24 O8 -167.9(9) . . . . ?
C22 C23 C24 O8 -44.6(12) . . . . ?
Co4 N17 C25 C26 -38.9(10) . . . . ?
Co4 N18 C26 C25 -39.3(10) . . . . ?
N17 C25 C26 N18 51.7(12) . . . . ?
Co4 N19 C27 C28 -40.6(11) . . . . ?
Co4 N20 C28 C27 -37.9(11) . . . . ?
N19 C27 C28 N20 51.7(12) . . . . ?
C4 N7 C29 C30 -57(4) . . . . ?
Co1 N7 C29 C30 39(4) . . . . ?
C5 N8 C30 C29 -57(5) . . . . ?
Co1 N8 C30 C29 39(5) . . . . ?
N7 C29 C30 N8 -54(6) . . . . ?
