#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:53:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179941 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/36/7023616.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_7023616
loop_
_publ_author_name
'Galstyan, Anzhela'
'Sanz Miguel, Pablo J.'
'Weise, Katrin'
'Lippert, Bernhard'
_publ_section_title
;
 Discrete and polymeric heteronuclear constructs derived from triangular
 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16151
_journal_page_last               16161
_journal_paper_doi               10.1039/c3dt51589c
_journal_volume                  42
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety
'C30 H56 Cd2 N18 O7 Pt3, Cd H12 O6, 6(O4 S), 15(H2 O)'
_chemical_formula_sum            'C30 H98 Cd3 N18 O52 Pt3 S6'
_chemical_formula_weight         2658.09
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-08-09T13:38:35-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.4445(4)
_cell_length_b                   19.8624(7)
_cell_length_c                   27.9292(12)
_cell_measurement_reflns_used    9025
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.1058
_cell_measurement_theta_min      2.2675
_cell_volume                     8013.0(5)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
        (compiled Oct 24 2008,09:44:38)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
        (compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
        (compiled Oct 24 2008,09:44:38)
;
_computing_molecular_graphics    'POV-Ray for Windows (version 3.6)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.1531
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            25518
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         29.2
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    6.269
_exptl_absorpt_correction_T_max  0.534
_exptl_absorpt_correction_T_min  0.453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             5176
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.972
_refine_diff_density_min         -2.082
_refine_diff_density_rms         0.233
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881, 6916 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.011(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     877
_refine_ls_number_reflns         16849
_refine_ls_number_restraints     226
_refine_ls_restrained_S_all      2.535
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0411P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1077
_reflns_number_gt                10509
_reflns_number_total             16849
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51589c.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7023616
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 1.38791(8) -0.02884(7) 0.40143(6) 0.0188(3) Uani 1 1 d . . .
Pt2 Pt 0.95350(8) 0.02660(8) 0.25237(6) 0.0226(4) Uani 1 1 d . . .
Pt3 Pt 0.92229(8) 0.00269(8) 0.53684(5) 0.0193(3) Uani 1 1 d . . .
Cd1 Cd 1.38233(19) 0.19583(15) 0.20372(11) 0.0281(7) Uani 1 1 d . . .
Cd2 Cd 0.81877(18) 0.30202(14) 0.40093(12) 0.0303(7) Uani 1 1 d . . .
Cd3 Cd 0.96608(19) 0.26041(15) 0.07505(11) 0.0300(7) Uani 1 1 d . . .
O1A O 1.3985(18) 0.0964(14) 0.1659(10) 0.043(8) Uani 1 1 d . . .
H11A H 1.3883 0.0723 0.1413 0.064 Uiso 1 1 d R . .
H12A H 1.4212 0.0709 0.1874 0.064 Uiso 1 1 d R . .
O2A O 1.5353(16) 0.2012(15) 0.2016(11) 0.048(9) Uani 1 1 d . . .
H21A H 1.5726 0.1802 0.1835 0.073 Uiso 1 1 d R . .
H22A H 1.5648 0.213 0.2266 0.073 Uiso 1 1 d R . .
O3A O 1.376(2) 0.2940(16) 0.2413(12) 0.064(10) Uani 1 1 d U . .
H31A H 1.4029 0.3312 0.2352 0.097 Uiso 1 1 d R . .
H32A H 1.3464 0.2988 0.2674 0.097 Uiso 1 1 d R . .
O4A O 1.3412(17) 0.2461(14) 0.1375(10) 0.042(8) Uani 1 1 d . . .
H41A H 1.36 0.2427 0.1088 0.064 Uiso 1 1 d R . .
H42A H 1.3133 0.2836 0.1402 0.064 Uiso 1 1 d R . .
O1B O 0.974(2) 0.3256(19) 0.3930(14) 0.090(12) Uani 1 1 d U . .
H11B H 1.0026 0.3629 0.3936 0.135 Uiso 1 1 d R . .
H12B H 1.0128 0.2944 0.3977 0.135 Uiso 1 1 d R . .
O2B O 0.684(2) 0.2407(15) 0.3729(14) 0.082(14) Uani 1 1 d . . .
H21B H 0.6271 0.2491 0.3685 0.123 Uiso 1 1 d R . .
H22B H 0.6906 0.1982 0.3737 0.123 Uiso 1 1 d R . .
O3B O 0.813(2) 0.3716(15) 0.3359(11) 0.064(11) Uani 1 1 d . . .
H31B H 0.785 0.3694 0.309 0.097 Uiso 1 1 d R . .
H32B H 0.815 0.4128 0.344 0.097 Uiso 1 1 d R . .
O1C O 1.1096(16) 0.2694(12) 0.0409(9) 0.033(7) Uani 1 1 d . . .
H11C H 1.1525 0.2824 0.0222 0.05 Uiso 1 1 d R . .
H12C H 1.1171 0.2275 0.0458 0.05 Uiso 1 1 d R . .
O2C O 0.8368(15) 0.2402(14) 0.1197(9) 0.035(7) Uani 1 1 d . . .
H21C H 0.7995 0.2683 0.1322 0.053 Uiso 1 1 d R . .
H22C H 0.8115 0.2016 0.1209 0.053 Uiso 1 1 d R . .
O3C O 1.0148(15) 0.1558(12) 0.0891(10) 0.035(8) Uani 1 1 d . . .
H31C H 1.0504 0.1321 0.1065 0.053 Uiso 1 1 d R . .
H32C H 0.9636 0.135 0.0867 0.053 Uiso 1 1 d R . .
O4C O 0.895(2) 0.2320(14) 0.0069(11) 0.063(10) Uani 1 1 d . . .
H41C H 0.8926 0.2009 -0.014 0.094 Uiso 1 1 d R . .
H42C H 0.8635 0.2651 -0.0036 0.094 Uiso 1 1 d R . .
O5C O 1.0295(18) 0.2950(16) 0.1448(10) 0.057(10) Uani 1 1 d . . .
H51C H 1.0025 0.3181 0.1663 0.086 Uiso 1 1 d R . .
H52C H 1.0874 0.3008 0.148 0.086 Uiso 1 1 d R . .
O6C O 0.938(2) 0.3669(13) 0.0493(12) 0.058(10) Uani 1 1 d . . .
H61C H 0.9846 0.3923 0.045 0.087 Uiso 1 1 d R . .
H62C H 0.8896 0.39 0.044 0.087 Uiso 1 1 d R . .
N11 N 1.389(2) -0.1024(13) 0.4508(12) 0.024(8) Uani 1 1 d . . .
H111 H 1.4443 -0.1025 0.4667 0.029 Uiso 1 1 calc R . .
H112 H 1.3424 -0.0949 0.4728 0.029 Uiso 1 1 calc R . .
C12 C 1.374(3) -0.167(2) 0.4277(15) 0.036(11) Uani 1 1 d U . .
H121 H 1.3076 -0.1732 0.4212 0.044 Uiso 1 1 calc R . .
H122 H 1.3951 -0.2033 0.4493 0.044 Uiso 1 1 calc R . .
C13 C 1.428(2) -0.1699(19) 0.3812(14) 0.031(10) Uani 1 1 d U . .
H131 H 1.4096 -0.2099 0.3623 0.037 Uiso 1 1 calc R . .
H132 H 1.4953 -0.1719 0.3874 0.037 Uiso 1 1 calc R . .
N14 N 1.4023(18) -0.1052(15) 0.3552(12) 0.028(9) Uani 1 1 d . . .
H141 H 1.3477 -0.1114 0.3388 0.034 Uiso 1 1 calc R . .
H142 H 1.4477 -0.0948 0.3333 0.034 Uiso 1 1 calc R . .
N21 N 0.989(2) -0.0515(16) 0.2104(12) 0.036(9) Uani 1 1 d U . .
H211 H 1.0045 -0.0361 0.1804 0.043 Uiso 1 1 calc R . .
H212 H 1.0399 -0.0729 0.2231 0.043 Uiso 1 1 calc R . .
C22 C 0.910(3) -0.100(2) 0.2069(17) 0.041(12) Uani 1 1 d . . .
H221 H 0.8695 -0.0864 0.18 0.049 Uiso 1 1 calc R . .
H222 H 0.9344 -0.1454 0.2001 0.049 Uiso 1 1 calc R . .
C23 C 0.860(3) -0.101(2) 0.249(2) 0.058(14) Uani 1 1 d . . .
H231 H 0.8939 -0.1269 0.2734 0.07 Uiso 1 1 calc R . .
H232 H 0.7998 -0.1238 0.2432 0.07 Uiso 1 1 calc R . .
N24 N 0.8404(16) -0.0295(15) 0.2686(11) 0.022(7) Uani 1 1 d U . .
H241 H 0.8315 -0.0308 0.3012 0.027 Uiso 1 1 calc R . .
H242 H 0.7884 -0.0116 0.2545 0.027 Uiso 1 1 calc R . .
N31 N 0.8043(18) -0.0485(15) 0.5234(11) 0.026(8) Uani 1 1 d U . .
H311 H 0.7538 -0.0213 0.5286 0.031 Uiso 1 1 calc R . .
H312 H 0.8032 -0.0624 0.4919 0.031 Uiso 1 1 calc R . .
C32 C 0.801(2) -0.1079(19) 0.5557(15) 0.027(10) Uani 1 1 d U . .
H321 H 0.775 -0.0943 0.5871 0.032 Uiso 1 1 calc R . .
H322 H 0.7591 -0.1425 0.5418 0.032 Uiso 1 1 calc R . .
C33 C 0.893(2) -0.136(2) 0.5621(14) 0.030(10) Uani 1 1 d . . .
H331 H 0.9147 -0.1566 0.5319 0.035 Uiso 1 1 calc R . .
H332 H 0.8917 -0.1712 0.5873 0.035 Uiso 1 1 calc R . .
N34 N 0.9544(18) -0.0796(15) 0.5765(11) 0.025(8) Uani 1 1 d . . .
H341 H 1.0152 -0.0914 0.5715 0.03 Uiso 1 1 calc R . .
H342 H 0.9467 -0.0703 0.6085 0.03 Uiso 1 1 calc R . .
N1A N 1.3815(19) 0.1348(14) 0.2745(11) 0.024(3) Uani 1 1 d . . .
C2A C 1.309(2) 0.0983(19) 0.2867(15) 0.024(3) Uani 1 1 d . . .
C3A C 1.311(2) 0.0521(18) 0.3225(14) 0.024(3) Uani 1 1 d . . .
H3AA H 1.2569 0.0261 0.3286 0.028 Uiso 1 1 calc R . .
N4A N 1.3856(19) 0.0424(14) 0.3493(11) 0.024(3) Uani 1 1 d . . .
C5A C 1.462(2) 0.0764(18) 0.3384(14) 0.024(3) Uani 1 1 d . . .
H5AA H 1.5179 0.0683 0.355 0.028 Uiso 1 1 calc R . .
C6A C 1.457(2) 0.1254(18) 0.3013(14) 0.024(3) Uani 1 1 d . . .
H6AA H 1.5098 0.1526 0.2953 0.028 Uiso 1 1 calc R . .
N1B N 1.2313(18) 0.1471(15) 0.2199(12) 0.023(8) Uani 1 1 d . . .
C2B C 1.226(2) 0.1075(18) 0.2544(15) 0.019(8) Uani 1 1 d U . .
C3B C 1.141(2) 0.074(2) 0.2632(15) 0.028(11) Uani 1 1 d . . .
H3BA H 1.1373 0.0454 0.2905 0.034 Uiso 1 1 calc R . .
N4B N 1.0731(19) 0.0789(16) 0.2372(11) 0.025(8) Uani 1 1 d . . .
C5B C 1.076(3) 0.121(2) 0.1988(16) 0.038(11) Uani 1 1 d . . .
H5BA H 1.0246 0.1258 0.1777 0.045 Uiso 1 1 calc R . .
C6B C 1.159(3) 0.155(2) 0.1927(16) 0.035(11) Uani 1 1 d . . .
H6BA H 1.1632 0.1867 0.1672 0.043 Uiso 1 1 calc R . .
N1C N 0.871(2) 0.2105(16) 0.3515(12) 0.033(9) Uani 1 1 d . . .
C2C C 0.883(3) 0.148(2) 0.3722(18) 0.045(13) Uani 1 1 d . . .
C3C C 0.909(2) 0.0968(18) 0.3418(14) 0.020(8) Uani 1 1 d U . .
H3CA H 0.9238 0.0544 0.3555 0.024 Uiso 1 1 calc R . .
N4C N 0.9136(17) 0.1024(15) 0.2969(12) 0.022(8) Uani 1 1 d . . .
C5C C 0.892(3) 0.161(2) 0.2758(16) 0.038(11) Uani 1 1 d . . .
H5CA H 0.8923 0.1651 0.2419 0.045 Uiso 1 1 calc R . .
C6C C 0.868(3) 0.217(3) 0.3053(16) 0.057(15) Uani 1 1 d . . .
H6CA H 0.8496 0.2581 0.2913 0.069 Uiso 1 1 calc R . .
N1D N 0.845(2) 0.2038(15) 0.4474(11) 0.025(8) Uani 1 1 d . . .
C2D C 0.876(2) 0.1472(17) 0.4248(14) 0.017(8) Uani 1 1 d U . .
C3D C 0.892(2) 0.0866(19) 0.4500(15) 0.028(9) Uani 1 1 d U . .
H3DA H 0.9061 0.0465 0.4331 0.033 Uiso 1 1 calc R . .
N4D N 0.886(2) 0.0861(17) 0.4975(12) 0.030(8) Uani 1 1 d . . .
C5D C 0.861(2) 0.140(2) 0.5191(16) 0.034(12) Uani 1 1 d . . .
H5DA H 0.8543 0.1393 0.5529 0.041 Uiso 1 1 calc R . .
C6D C 0.843(2) 0.200(2) 0.4960(16) 0.030(10) Uani 1 1 d U . .
H6DA H 0.8289 0.2391 0.5143 0.036 Uiso 1 1 calc R . .
N1E N 1.194(2) 0.1217(16) 0.5837(12) 0.028(8) Uani 1 1 d U . .
C2E C 1.192(2) 0.0902(18) 0.5407(15) 0.022(9) Uani 1 1 d U . .
C3E C 1.114(2) 0.0527(16) 0.5275(13) 0.021(9) Uani 1 1 d . . .
H3EA H 1.1131 0.0282 0.4983 0.026 Uiso 1 1 calc R . .
N4E N 1.0407(18) 0.0517(14) 0.5562(11) 0.021(7) Uani 1 1 d . . .
C5E C 1.041(3) 0.083(2) 0.5978(17) 0.037(10) Uani 1 1 d U . .
H5EA H 0.9888 0.0816 0.6185 0.044 Uiso 1 1 calc R . .
C6E C 1.122(3) 0.1174(19) 0.6105(16) 0.036(11) Uani 1 1 d U . .
H6EA H 1.1232 0.1392 0.6408 0.043 Uiso 1 1 calc R . .
N1F N 1.3439(17) 0.1342(15) 0.5250(12) 0.022(4) Uani 1 1 d . . .
C2F C 1.278(2) 0.0889(18) 0.5128(15) 0.022(4) Uani 1 1 d . . .
C3F C 1.291(2) 0.0442(17) 0.4746(14) 0.022(4) Uani 1 1 d . . .
H3FA H 1.2413 0.0154 0.4651 0.026 Uiso 1 1 calc R . .
N4F N 1.3717(17) 0.0419(14) 0.4514(11) 0.022(4) Uani 1 1 d . . .
C5F C 1.435(2) 0.0870(16) 0.4631(14) 0.022(4) Uani 1 1 d . . .
H5FA H 1.4914 0.0885 0.4459 0.026 Uiso 1 1 calc R . .
C6F C 1.420(2) 0.1334(17) 0.5011(14) 0.022(4) Uani 1 1 d . . .
H6FA H 1.4671 0.1646 0.509 0.026 Uiso 1 1 calc R . .
S1 S 0.7862(6) 0.3808(5) -0.0529(4) 0.022(2) Uani 1 1 d . . .
O11 O 0.6972(16) 0.3504(14) -0.0625(12) 0.045(9) Uani 1 1 d . . .
O12 O 0.7892(17) 0.4061(14) -0.0033(11) 0.040(8) Uani 1 1 d . . .
O13 O 0.8003(17) 0.4385(13) -0.0883(10) 0.033(7) Uani 1 1 d . . .
O14 O 0.8619(17) 0.3329(13) -0.0588(10) 0.038(8) Uani 1 1 d . . .
S2 S 1.2190(7) 0.4012(6) 0.1114(4) 0.033(3) Uani 1 1 d . . .
O21 O 1.3201(18) 0.4182(14) 0.1094(10) 0.040(8) Uani 1 1 d . . .
O22 O 1.2081(18) 0.3403(14) 0.1411(12) 0.047(9) Uani 1 1 d . . .
O23 O 1.185(2) 0.3859(14) 0.0617(11) 0.043(8) Uani 1 1 d . . .
O24 O 1.164(2) 0.4546(16) 0.1324(12) 0.065(10) Uani 1 1 d . . .
S3 S 1.6133(6) 0.0277(5) 0.2057(4) 0.039(2) Uani 1 1 d D . .
O31 O 1.599(3) 0.033(2) 0.2559(8) 0.039(2) Uani 0.5 1 d PD A 1
O32 O 1.5299(19) 0.001(2) 0.1809(14) 0.039(2) Uani 0.5 1 d PD A 1
O33 O 1.636(3) 0.0924(14) 0.1821(15) 0.039(2) Uani 0.5 1 d PD A 1
O34 O 1.691(2) -0.0190(18) 0.1948(15) 0.039(2) Uani 0.5 1 d PD A 1
O35 O 1.5158(15) 0.022(2) 0.2215(15) 0.039(2) Uani 0.5 1 d PD A 2
O36 O 1.647(3) 0.0962(13) 0.2186(16) 0.039(2) Uani 0.5 1 d PD A 2
O37 O 1.669(2) -0.0222(17) 0.2297(14) 0.039(2) Uani 0.5 1 d PD A 2
O38 O 1.617(3) 0.022(2) 0.1538(8) 0.039(2) Uani 0.5 1 d PD A 2
S4 S 0.9245(9) -0.0037(8) 0.0770(6) 0.086(4) Uani 1 1 d D . .
O41 O 0.9138(18) 0.0156(15) 0.1276(8) 0.086(4) Uani 1 1 d D . .
O42 O 0.8462(16) -0.0392(14) 0.0600(11) 0.086(4) Uani 1 1 d D . .
O43 O 1.0129(14) -0.0330(15) 0.0674(11) 0.086(4) Uani 1 1 d D . .
O44 O 0.9285(19) 0.0679(11) 0.0540(11) 0.086(4) Uani 1 1 d D . .
S5 S 1.1707(11) -0.1224(9) 0.2928(8) 0.083(4) Uani 1 1 d . . .
O51 O 1.229(2) -0.1660(19) 0.3192(15) 0.083(4) Uani 1 1 d . . .
O52 O 1.219(2) -0.076(2) 0.2697(15) 0.083(4) Uani 1 1 d . . .
O53 O 1.092(2) -0.1497(18) 0.2784(14) 0.083(4) Uani 1 1 d . . .
O54 O 1.144(2) -0.082(2) 0.3208(15) 0.083(4) Uani 1 1 d D . .
S6 S 1.115(2) 0.2151(17) 0.4593(13) 0.126(8) Uani 0.5 1 d PDU B 1
O61 O 1.056(2) 0.1601(18) 0.4718(12) 0.126(8) Uani 0.5 1 d PDU B 1
O62 O 1.212(2) 0.190(3) 0.453(3) 0.126(8) Uani 0.5 1 d PDU B 1
O63 O 1.086(4) 0.249(3) 0.4157(18) 0.126(8) Uani 0.5 1 d PDU B 1
O64 O 1.116(5) 0.264(3) 0.499(2) 0.126(8) Uani 0.5 1 d PDU B 1
S7 S 1.116(2) 0.1622(18) 0.4285(12) 0.126(8) Uani 0.5 1 d PDU C 2
O71 O 1.056(2) 0.1601(18) 0.4718(12) 0.126(8) Uani 0.5 1 d PDU C 2
O72 O 1.134(5) 0.092(2) 0.411(2) 0.126(8) Uani 0.5 1 d PDU C 2
O73 O 1.068(4) 0.199(3) 0.3912(16) 0.126(8) Uani 0.5 1 d PDU C 2
O74 O 1.205(3) 0.193(3) 0.440(2) 0.126(8) Uani 0.5 1 d PDU C 2
O1W O 1.348(3) 0.199(2) 0.3924(15) 0.102(15) Uani 1 1 d . . .
O2W O 1.125(3) 0.217(2) 0.321(2) 0.13(2) Uani 1 1 d . . .
O3W O 1.4057(19) 0.3856(14) 0.0288(10) 0.047(8) Uani 1 1 d D . .
O4W O 0.8473(17) 0.4978(15) 0.3705(9) 0.045(8) Uani 1 1 d . . .
O5W O 1.8232(18) 0.1239(15) 0.1689(11) 0.042(8) Uani 1 1 d . . .
O6W O 1.4182(16) 0.4084(14) 0.1925(10) 0.037(7) Uani 1 1 d . . .
O7W O 0.8413(17) -0.1153(17) -0.0172(12) 0.060(11) Uani 1 1 d . . .
O8W O 1.352(2) 0.5549(16) 0.1027(15) 0.078(12) Uani 1 1 d . . .
O9W O 0.716(2) -0.0980(18) 0.1238(12) 0.071(12) Uani 1 1 d . . .
O10W O 1.282(2) 0.2876(19) 0.3261(16) 0.095(15) Uani 1 1 d . . .
O11W O 1.693(2) 0.123(2) 0.3164(14) 0.083(14) Uani 1 1 d . . .
O12W O 1.628(4) 0.288(2) 0.2522(15) 0.127(18) Uani 1 1 d . . .
O13W O 1.401(3) -0.076(2) 0.2369(16) 0.113(16) Uani 1 1 d . . .
O14W O 0.522(2) 0.241(2) 0.4233(14) 0.095(13) Uani 1 1 d U . .
O15W O 1.043(3) -0.021(3) 0.3949(19) 0.18(2) Uani 1 1 d DU . .
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 0 '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 0.006 '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'
Cd Cd -0.8075 1.2024 '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'
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
N4F Pt1 N14 175.6(12) . .
N4F Pt1 N11 91.9(11) . .
N14 Pt1 N11 83.8(12) . .
N4F Pt1 N4A 90.5(11) . .
N14 Pt1 N4A 93.8(12) . .
N11 Pt1 N4A 177.4(12) . .
N21 Pt2 N24 84.9(12) . .
N21 Pt2 N4C 177.1(13) . .
N24 Pt2 N4C 92.4(11) . .
N21 Pt2 N4B 93.2(12) . .
N24 Pt2 N4B 176.7(12) . .
N4C Pt2 N4B 89.4(11) . .
N31 Pt3 N34 83.6(11) . .
N31 Pt3 N4E 175.2(12) . .
N34 Pt3 N4E 92.8(11) . .
N31 Pt3 N4D 95.2(11) . .
N34 Pt3 N4D 178.3(12) . .
N4E Pt3 N4D 88.4(11) . .
O4A Cd1 O2A 103.1(10) . .
O4A Cd1 O3A 89.3(11) . .
O2A Cd1 O3A 90.6(11) . .
O4A Cd1 O1A 91.8(10) . .
O2A Cd1 O1A 85.8(11) . .
O3A Cd1 O1A 176.3(10) . .
O4A Cd1 N1A 163.6(10) . .
O2A Cd1 N1A 93.0(10) . .
O3A Cd1 N1A 93.2(11) . .
O1A Cd1 N1A 86.6(10) . .
O4A Cd1 N1B 95.5(10) . .
O2A Cd1 N1B 157.0(10) . .
O3A Cd1 N1B 103.1(11) . .
O1A Cd1 N1B 80.3(10) . .
N1A Cd1 N1B 68.2(10) . .
O3B Cd2 O1B 80.6(13) . .
O3B Cd2 N1D 159.8(11) . .
O1B Cd2 N1D 93.9(12) . .
O3B Cd2 N1E 74.4(11) . 4_456
O1B Cd2 N1E 128.5(12) . 4_456
N1D Cd2 N1E 122.7(11) . 4_456
O3B Cd2 N1C 90.7(11) . .
O1B Cd2 N1C 78.1(12) . .
N1D Cd2 N1C 69.1(10) . .
N1E Cd2 N1C 144.8(11) 4_456 .
O3B Cd2 O2B 90.9(12) . .
O1B Cd2 O2B 148.5(12) . .
N1D Cd2 O2B 83.6(11) . .
N1E Cd2 O2B 76.8(10) 4_456 .
N1C Cd2 O2B 71.7(10) . .
O3B Cd2 N1F 111.3(10) . 4_456
O1B Cd2 N1F 80.3(11) . 4_456
N1D Cd2 N1F 86.6(10) . 4_456
N1E Cd2 N1F 68.5(10) 4_456 4_456
N1C Cd2 N1F 146.0(10) . 4_456
O2B Cd2 N1F 130.6(10) . 4_456
O3C Cd3 O4C 93.4(10) . .
O3C Cd3 O5C 90.2(10) . .
O4C Cd3 O5C 175.7(11) . .
O3C Cd3 O6C 168.8(10) . .
O4C Cd3 O6C 83.3(11) . .
O5C Cd3 O6C 93.6(11) . .
O3C Cd3 O2C 89.9(9) . .
O4C Cd3 O2C 92.6(11) . .
O5C Cd3 O2C 85.1(10) . .
O6C Cd3 O2C 101.0(10) . .
O3C Cd3 O1C 82.0(9) . .
O4C Cd3 O1C 94.6(11) . .
O5C Cd3 O1C 88.2(10) . .
O6C Cd3 O1C 87.6(10) . .
O2C Cd3 O1C 169.4(9) . .
Cd1 O1A H11A 148.6 . .
Cd1 O1A H12A 103.3 . .
H11A O1A H12A 107.7 . .
Cd1 O2A H21A 128.8 . .
Cd1 O2A H22A 119.6 . .
H21A O2A H22A 107.7 . .
Cd1 O3A H31A 130.6 . .
Cd1 O3A H32A 121.6 . .
H31A O3A H32A 107.7 . .
Cd1 O4A H41A 132.6 . .
Cd1 O4A H42A 117 . .
H41A O4A H42A 107.7 . .
Cd2 O1B H11B 130.9 . .
Cd2 O1B H12B 119 . .
H11B O1B H12B 107.7 . .
Cd2 O2B H21B 136.5 . .
Cd2 O2B H22B 113.9 . .
H21B O2B H22B 107.7 . .
Cd2 O3B H31B 133.4 . .
Cd2 O3B H32B 111.6 . .
H31B O3B H32B 107.7 . .
Cd3 O1C H11C 159.9 . .
Cd3 O1C H12C 88.4 . .
H11C O1C H12C 107.7 . .
Cd3 O2C H21C 128.9 . .
Cd3 O2C H22C 122.1 . .
H21C O2C H22C 107.7 . .
Cd3 O3C H31C 143.9 . .
Cd3 O3C H32C 99.5 . .
H31C O3C H32C 107.7 . .
Cd3 O4C H41C 141.8 . .
Cd3 O4C H42C 110 . .
H41C O4C H42C 107.7 . .
Cd3 O5C H51C 125.9 . .
Cd3 O5C H52C 122.2 . .
H51C O5C H52C 107.7 . .
Cd3 O6C H61C 117.2 . .
Cd3 O6C H62C 135 . .
H61C O6C H62C 107.7 . .
C12 N11 Pt1 110(3) . .
C12 N11 H111 109.7 . .
Pt1 N11 H111 109.7 . .
C12 N11 H112 109.7 . .
Pt1 N11 H112 109.7 . .
H111 N11 H112 108.2 . .
N11 C12 C13 110(3) . .
N11 C12 H121 109.6 . .
C13 C12 H121 109.6 . .
N11 C12 H122 109.6 . .
C13 C12 H122 109.6 . .
H121 C12 H122 108.1 . .
C12 C13 N14 105(3) . .
C12 C13 H131 110.8 . .
N14 C13 H131 110.8 . .
C12 C13 H132 110.8 . .
N14 C13 H132 110.8 . .
H131 C13 H132 108.9 . .
C13 N14 Pt1 111(2) . .
C13 N14 H141 109.5 . .
Pt1 N14 H141 109.5 . .
C13 N14 H142 109.5 . .
Pt1 N14 H142 109.5 . .
H141 N14 H142 108.1 . .
C22 N21 Pt2 110(2) . .
C22 N21 H211 109.7 . .
Pt2 N21 H211 109.7 . .
C22 N21 H212 109.7 . .
Pt2 N21 H212 109.7 . .
H211 N21 H212 108.2 . .
C23 C22 N21 111(4) . .
C23 C22 H221 109.5 . .
N21 C22 H221 109.5 . .
C23 C22 H222 109.5 . .
N21 C22 H222 109.5 . .
H221 C22 H222 108.1 . .
C22 C23 N24 112(4) . .
C22 C23 H231 109.1 . .
N24 C23 H231 109.1 . .
C22 C23 H232 109.1 . .
N24 C23 H232 109.1 . .
H231 C23 H232 107.8 . .
C23 N24 Pt2 106(2) . .
C23 N24 H241 110.5 . .
Pt2 N24 H241 110.5 . .
C23 N24 H242 110.5 . .
Pt2 N24 H242 110.5 . .
H241 N24 H242 108.7 . .
C32 N31 Pt3 108(2) . .
C32 N31 H311 110 . .
Pt3 N31 H311 110 . .
C32 N31 H312 110 . .
Pt3 N31 H312 110 . .
H311 N31 H312 108.4 . .
C33 C32 N31 110(3) . .
C33 C32 H321 109.6 . .
N31 C32 H321 109.6 . .
C33 C32 H322 109.6 . .
N31 C32 H322 109.6 . .
H321 C32 H322 108.1 . .
C32 C33 N34 107(3) . .
C32 C33 H331 110.3 . .
N34 C33 H331 110.3 . .
C32 C33 H332 110.3 . .
N34 C33 H332 110.3 . .
H331 C33 H332 108.6 . .
C33 N34 Pt3 109(2) . .
C33 N34 H341 109.9 . .
Pt3 N34 H341 109.9 . .
C33 N34 H342 109.9 . .
Pt3 N34 H342 109.9 . .
H341 N34 H342 108.3 . .
C2A N1A C6A 115(3) . .
C2A N1A Cd1 121(3) . .
C6A N1A Cd1 123(2) . .
N1A C2A C3A 123(3) . .
N1A C2A C2B 114(3) . .
C3A C2A C2B 122(3) . .
N4A C3A C2A 122(3) . .
N4A C3A H3AA 119.1 . .
C2A C3A H3AA 119.1 . .
C5A N4A C3A 118(3) . .
C5A N4A Pt1 120(2) . .
C3A N4A Pt1 121(2) . .
N4A C5A C6A 119(3) . .
N4A C5A H5AA 120.7 . .
C6A C5A H5AA 120.7 . .
N1A C6A C5A 123(3) . .
N1A C6A H6AA 118.6 . .
C5A C6A H6AA 118.6 . .
C2B N1B C6B 119(3) . .
C2B N1B Cd1 117(2) . .
C6B N1B Cd1 124(3) . .
N1B C2B C3B 119(4) . .
N1B C2B C2A 119(3) . .
C3B C2B C2A 122(4) . .
N4B C3B C2B 123(4) . .
N4B C3B H3BA 118.4 . .
C2B C3B H3BA 118.4 . .
C3B N4B C5B 120(4) . .
C3B N4B Pt2 121(3) . .
C5B N4B Pt2 120(3) . .
N4B C5B C6B 115(4) . .
N4B C5B H5BA 122.6 . .
C6B C5B H5BA 122.6 . .
N1B C6B C5B 124(4) . .
N1B C6B H6BA 118 . .
C5B C6B H6BA 118 . .
C6C N1C C2C 120(4) . .
C6C N1C Cd2 119(3) . .
C2C N1C Cd2 118(3) . .
N1C C2C C3C 116(4) . .
N1C C2C C2D 115(4) . .
C3C C2C C2D 128(4) . .
N4C C3C C2C 124(4) . .
N4C C3C H3CA 117.9 . .
C2C C3C H3CA 117.9 . .
C3C N4C C5C 120(3) . .
C3C N4C Pt2 124(3) . .
C5C N4C Pt2 116(3) . .
N4C C5C C6C 118(4) . .
N4C C5C H5CA 120.8 . .
C6C C5C H5CA 120.8 . .
N1C C6C C5C 120(5) . .
N1C C6C H6CA 120.1 . .
C5C C6C H6CA 120.1 . .
C6D N1D C2D 115(3) . .
C6D N1D Cd2 126(3) . .
C2D N1D Cd2 118(2) . .
N1D C2D C3D 122(4) . .
N1D C2D C2C 118(4) . .
C3D C2D C2C 120(4) . .
N4D C3D C2D 120(4) . .
N4D C3D H3DA 120.2 . .
C2D C3D H3DA 120.2 . .
C5D N4D C3D 119(4) . .
C5D N4D Pt3 120(3) . .
C3D N4D Pt3 122(3) . .
N4D C5D C6D 124(4) . .
N4D C5D H5DA 118.1 . .
C6D C5D H5DA 118.1 . .
N1D C6D C5D 121(4) . .
N1D C6D H6DA 119.6 . .
C5D C6D H6DA 119.6 . .
C6E N1E C2E 118(3) . .
C6E N1E Cd2 123(3) . 4_556
C2E N1E Cd2 118(2) . 4_556
N1E C2E C3E 119(3) . .
N1E C2E C2F 118(3) . .
C3E C2E C2F 122(4) . .
N4E C3E C2E 119(3) . .
N4E C3E H3EA 120.3 . .
C2E C3E H3EA 120.3 . .
C5E N4E C3E 122(3) . .
C5E N4E Pt3 117(3) . .
C3E N4E Pt3 121(2) . .
N4E C5E C6E 117(4) . .
N4E C5E H5EA 121.4 . .
C6E C5E H5EA 121.4 . .
N1E C6E C5E 124(4) . .
N1E C6E H6EA 118 . .
C5E C6E H6EA 118 . .
C6F N1F C2F 117(3) . .
C6F N1F Cd2 125(2) . 4_556
C2F N1F Cd2 117(2) . 4_556
N1F C2F C3F 122(3) . .
N1F C2F C2E 117(3) . .
C3F C2F C2E 121(3) . .
N4F C3F C2F 120(3) . .
N4F C3F H3FA 120 . .
C2F C3F H3FA 120 . .
C5F N4F C3F 117(3) . .
C5F N4F Pt1 125(2) . .
C3F N4F Pt1 118(2) . .
N4F C5F C6F 121(3) . .
N4F C5F H5FA 119.4 . .
C6F C5F H5FA 119.4 . .
N1F C6F C5F 122(3) . .
N1F C6F H6FA 119.1 . .
C5F C6F H6FA 119.1 . .
O11 S1 O14 111.9(17) . .
O11 S1 O12 110.1(18) . .
O14 S1 O12 107.9(16) . .
O11 S1 O13 108.2(16) . .
O14 S1 O13 108.4(16) . .
O12 S1 O13 110.4(16) . .
O24 S2 O22 108.4(19) . .
O24 S2 O21 112.5(19) . .
O22 S2 O21 108.1(17) . .
O24 S2 O23 110.1(18) . .
O22 S2 O23 108.7(19) . .
O21 S2 O23 109.0(17) . .
O37 S3 O38 112.8(18) . .
O31 S3 O33 113.8(18) . .
O37 S3 O35 110.3(18) . .
O38 S3 O35 109.1(17) . .
O31 S3 O32 111.5(17) . .
O33 S3 O32 106.0(17) . .
O37 S3 O36 109.3(17) . .
O38 S3 O36 107.5(17) . .
O35 S3 O36 107.6(17) . .
O33 S3 O34 106.6(17) . .
O32 S3 O34 107.4(17) . .
O42 S4 O43 116.8(16) . .
O42 S4 O41 111.5(16) . .
O43 S4 O41 112.3(16) . .
O42 S4 O44 110.2(16) . .
O43 S4 O44 105.2(16) . .
O41 S4 O44 99.2(15) . .
O54 S5 O53 101(3) . .
O54 S5 O52 91(3) . .
O53 S5 O52 126(3) . .
O54 S5 O51 105(3) . .
O53 S5 O51 115(3) . .
O52 S5 O51 112(2) . .
O61 S6 O63 113(2) . .
O61 S6 O64 109(2) . .
O63 S6 O64 109(2) . .
O61 S6 O62 109(2) . .
O63 S6 O62 109(2) . .
O64 S6 O62 107(2) . .
O73 S7 O74 112(2) . .
O73 S7 O72 109(2) . .
O74 S7 O72 108(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N4F 1.99(3) .
Pt1 N14 2.00(3) .
Pt1 N11 2.01(3) .
Pt1 N4A 2.03(3) .
Pt2 N21 2.01(3) .
Pt2 N24 2.03(3) .
Pt2 N4C 2.04(3) .
Pt2 N4B 2.06(3) .
Pt3 N31 2.02(3) .
Pt3 N34 2.03(3) .
Pt3 N4E 2.04(3) .
Pt3 N4D 2.06(3) .
Cd1 O4A 2.18(3) .
Cd1 O2A 2.21(2) .
Cd1 O3A 2.22(3) .
Cd1 O1A 2.25(3) .
Cd1 N1A 2.32(3) .
Cd1 N1B 2.43(3) .
Cd2 O3B 2.28(3) .
Cd2 O1B 2.30(3) .
Cd2 N1D 2.37(3) .
Cd2 N1E 2.40(3) 4_456
Cd2 N1C 2.40(3) .
Cd2 O2B 2.42(4) .
Cd2 N1F 2.45(3) 4_456
Cd3 O3C 2.23(2) .
Cd3 O4C 2.24(3) .
Cd3 O5C 2.26(3) .
Cd3 O6C 2.27(3) .
Cd3 O2C 2.28(2) .
Cd3 O1C 2.29(2) .
O1A H11A 0.8501 .
O1A H12A 0.8497 .
O2A H21A 0.8499 .
O2A H22A 0.85 .
O3A H31A 0.85 .
O3A H32A 0.8501 .
O4A H41A 0.8499 .
O4A H42A 0.8501 .
O1B H11B 0.85 .
O1B H12B 0.8501 .
O2B H21B 0.8499 .
O2B H22B 0.85 .
O3B H31B 0.8501 .
O3B H32B 0.85 .
O1C H11C 0.8502 .
O1C H12C 0.85 .
O2C H21C 0.85 .
O2C H22C 0.85 .
O3C H31C 0.8501 .
O3C H32C 0.85 .
O4C H41C 0.8499 .
O4C H42C 0.8499 .
O5C H51C 0.8501 .
O5C H52C 0.85 .
O6C H61C 0.8499 .
O6C H62C 0.85 .
N11 C12 1.45(5) .
N11 H111 0.92 .
N11 H112 0.92 .
C12 C13 1.51(5) .
C12 H121 0.99 .
C12 H122 0.99 .
C13 N14 1.52(4) .
C13 H131 0.99 .
C13 H132 0.99 .
N14 H141 0.92 .
N14 H142 0.92 .
N21 C22 1.49(4) .
N21 H211 0.92 .
N21 H212 0.92 .
C22 C23 1.39(6) .
C22 H221 0.99 .
C22 H222 0.99 .
C23 N24 1.54(5) .
C23 H231 0.99 .
C23 H232 0.99 .
N24 H241 0.92 .
N24 H242 0.92 .
N31 C32 1.49(4) .
N31 H311 0.92 .
N31 H312 0.92 .
C32 C33 1.45(5) .
C32 H321 0.99 .
C32 H322 0.99 .
C33 N34 1.49(4) .
C33 H331 0.99 .
C33 H332 0.99 .
N34 H341 0.92 .
N34 H342 0.92 .
N1A C2A 1.31(4) .
N1A C6A 1.33(4) .
C2A C3A 1.36(5) .
C2A C2B 1.52(5) .
C3A N4A 1.33(4) .
C3A H3AA 0.95 .
N4A C5A 1.32(4) .
C5A C6A 1.42(5) .
C5A H5AA 0.95 .
C6A H6AA 0.95 .
N1B C2B 1.25(5) .
N1B C6B 1.30(5) .
C2B C3B 1.41(5) .
C3B N4B 1.23(4) .
C3B H3BA 0.95 .
N4B C5B 1.35(5) .
C5B C6B 1.40(5) .
C5B H5BA 0.95 .
C6B H6BA 0.95 .
N1C C6C 1.30(5) .
N1C C2C 1.37(5) .
C2C C3C 1.38(6) .
C2C C2D 1.47(5) .
C3C N4C 1.26(4) .
C3C H3CA 0.95 .
N4C C5C 1.34(5) .
C5C C6C 1.42(6) .
C5C H5CA 0.95 .
C6C H6CA 0.95 .
N1D C6D 1.36(5) .
N1D C2D 1.37(4) .
C2D C3D 1.41(5) .
C3D N4D 1.33(5) .
C3D H3DA 0.95 .
N4D C5D 1.29(5) .
C5D C6D 1.37(5) .
C5D H5DA 0.95 .
C6D H6DA 0.95 .
N1E C6E 1.29(5) .
N1E C2E 1.36(5) .
N1E Cd2 2.40(3) 4_556
C2E C3E 1.40(5) .
C2E C2F 1.47(5) .
C3E N4E 1.33(4) .
C3E H3EA 0.95 .
N4E C5E 1.32(5) .
C5E C6E 1.40(5) .
C5E H5EA 0.95 .
C6E H6EA 0.95 .
N1F C6F 1.28(4) .
N1F C2F 1.35(4) .
N1F Cd2 2.45(3) 4_556
C2F C3F 1.40(5) .
C3F N4F 1.34(4) .
C3F H3FA 0.95 .
N4F C5F 1.32(4) .
C5F C6F 1.42(5) .
C5F H5FA 0.95 .
C6F H6FA 0.95 .
S1 O11 1.45(2) .
S1 O14 1.46(3) .
S1 O12 1.47(3) .
S1 O13 1.53(3) .
S2 O24 1.45(3) .
S2 O22 1.47(3) .
S2 O21 1.50(3) .
S2 O23 1.50(3) .
S3 O31 1.42(2) .
S3 O37 1.45(2) .
S3 O38 1.45(2) .
S3 O33 1.48(2) .
S3 O35 1.479(19) .
S3 O32 1.485(19) .
S3 O36 1.49(2) .
S3 O34 1.493(19) .
S4 O42 1.413(18) .
S4 O43 1.427(18) .
S4 O41 1.472(19) .
S4 O44 1.561(19) .
S5 O54 1.18(4) .
S5 O53 1.32(4) .
S5 O52 1.32(4) .
S5 O51 1.41(4) .
O52 O54 1.79(5) .
S6 O61 1.43(2) .
S6 O63 1.45(2) .
S6 O64 1.49(2) .
S6 O62 1.49(2) .
S7 O73 1.45(2) .
S7 O74 1.45(2) .
S7 O72 1.49(2) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N4F Pt1 N11 C12 164(2) .
N14 Pt1 N11 C12 -15(2) .
Pt1 N11 C12 C13 40(3) .
N11 C12 C13 N14 -50(4) .
C12 C13 N14 Pt1 36(3) .
N11 Pt1 N14 C13 -13(2) .
N4A Pt1 N14 C13 168(2) .
N24 Pt2 N21 C22 10(3) .
N4B Pt2 N21 C22 -173(3) .
Pt2 N21 C22 C23 -33(4) .
N21 C22 C23 N24 45(5) .
C22 C23 N24 Pt2 -35(4) .
N21 Pt2 N24 C23 12(3) .
N4C Pt2 N24 C23 -167(3) .
N34 Pt3 N31 C32 10(2) .
N4D Pt3 N31 C32 -169(2) .
Pt3 N31 C32 C33 -37(4) .
N31 C32 C33 N34 52(4) .
C32 C33 N34 Pt3 -41(3) .
N31 Pt3 N34 C33 17(2) .
N4E Pt3 N34 C33 -166(2) .
O4A Cd1 N1A C2A 12(5) .
O2A Cd1 N1A C2A -159(3) .
O3A Cd1 N1A C2A 111(3) .
O1A Cd1 N1A C2A -73(3) .
N1B Cd1 N1A C2A 8(3) .
O4A Cd1 N1A C6A -179(3) .
O2A Cd1 N1A C6A 10(3) .
O3A Cd1 N1A C6A -80(3) .
O1A Cd1 N1A C6A 96(3) .
N1B Cd1 N1A C6A 177(3) .
C6A N1A C2A C3A -3(6) .
Cd1 N1A C2A C3A 167(3) .
C6A N1A C2A C2B -177(3) .
Cd1 N1A C2A C2B -8(4) .
N1A C2A C3A N4A 3(6) .
C2B C2A C3A N4A 177(3) .
C2A C3A N4A C5A -4(6) .
C2A C3A N4A Pt1 -178(3) .
N4F Pt1 N4A C5A 83(3) .
N14 Pt1 N4A C5A -98(3) .
N4F Pt1 N4A C3A -103(3) .
N14 Pt1 N4A C3A 76(3) .
C3A N4A C5A C6A 5(5) .
Pt1 N4A C5A C6A 179(3) .
C2A N1A C6A C5A 4(5) .
Cd1 N1A C6A C5A -166(3) .
N4A C5A C6A N1A -5(6) .
O4A Cd1 N1B C2B 174(3) .
O2A Cd1 N1B C2B 30(5) .
O3A Cd1 N1B C2B -96(3) .
O1A Cd1 N1B C2B 83(3) .
N1A Cd1 N1B C2B -7(3) .
O4A Cd1 N1B C6B 0(3) .
O2A Cd1 N1B C6B -144(3) .
O3A Cd1 N1B C6B 91(3) .
O1A Cd1 N1B C6B -91(3) .
N1A Cd1 N1B C6B 179(3) .
C6B N1B C2B C3B -1(6) .
Cd1 N1B C2B C3B -175(3) .
C6B N1B C2B C2A -179(3) .
Cd1 N1B C2B C2A 6(5) .
N1A C2A C2B N1B 0(5) .
C3A C2A C2B N1B -175(4) .
N1A C2A C2B C3B -178(3) .
C3A C2A C2B C3B 7(6) .
N1B C2B C3B N4B 3(6) .
C2A C2B C3B N4B -178(4) .
C2B C3B N4B C5B -2(6) .
C2B C3B N4B Pt2 179(3) .
N21 Pt2 N4B C3B -93(3) .
N4C Pt2 N4B C3B 86(3) .
N21 Pt2 N4B C5B 88(3) .
N4C Pt2 N4B C5B -93(3) .
C3B N4B C5B C6B -1(6) .
Pt2 N4B C5B C6B 178(3) .
C2B N1B C6B C5B -2(6) .
Cd1 N1B C6B C5B 172(3) .
N4B C5B C6B N1B 3(6) .
O3B Cd2 N1C C6C -11(4) .
O1B Cd2 N1C C6C -91(4) .
N1D Cd2 N1C C6C 170(4) .
N1E Cd2 N1C C6C 52(4) 4_456
O2B Cd2 N1C C6C 80(4) .
N1F Cd2 N1C C6C -143(3) 4_456
O3B Cd2 N1C C2C -176(3) .
O1B Cd2 N1C C2C 103(3) .
N1D Cd2 N1C C2C 4(3) .
N1E Cd2 N1C C2C -113(3) 4_456
O2B Cd2 N1C C2C -86(3) .
N1F Cd2 N1C C2C 52(4) 4_456
C6C N1C C2C C3C 12(6) .
Cd2 N1C C2C C3C 177(2) .
C6C N1C C2C C2D -175(4) .
Cd2 N1C C2C C2D -9(5) .
N1C C2C C3C N4C -6(6) .
C2D C2C C3C N4C -179(4) .
C2C C3C N4C C5C -1(6) .
C2C C3C N4C Pt2 179(3) .
N24 Pt2 N4C C3C 66(3) .
N4B Pt2 N4C C3C -111(3) .
N24 Pt2 N4C C5C -114(3) .
N4B Pt2 N4C C5C 69(3) .
C3C N4C C5C C6C 3(6) .
Pt2 N4C C5C C6C -177(3) .
C2C N1C C6C C5C -10(7) .
Cd2 N1C C6C C5C -175(3) .
N4C C5C C6C N1C 3(7) .
O3B Cd2 N1D C6D 169(3) .
O1B Cd2 N1D C6D 96(3) .
N1E Cd2 N1D C6D -46(3) 4_456
N1C Cd2 N1D C6D 172(3) .
O2B Cd2 N1D C6D -115(3) .
N1F Cd2 N1D C6D 16(3) 4_456
O3B Cd2 N1D C2D -1(5) .
O1B Cd2 N1D C2D -74(3) .
N1E Cd2 N1D C2D 144(2) 4_456
N1C Cd2 N1D C2D 1(2) .
O2B Cd2 N1D C2D 74(2) .
N1F Cd2 N1D C2D -154(2) 4_456
C6D N1D C2D C3D 10(5) .
Cd2 N1D C2D C3D -179(3) .
C6D N1D C2D C2C -178(3) .
Cd2 N1D C2D C2C -7(4) .
N1C C2C C2D N1D 11(5) .
C3C C2C C2D N1D -177(3) .
N1C C2C C2D C3D -177(3) .
C3C C2C C2D C3D -5(6) .
N1D C2D C3D N4D -8(5) .
C2C C2D C3D N4D 180(3) .
C2D C3D N4D C5D 4(5) .
C2D C3D N4D Pt3 -173(2) .
N31 Pt3 N4D C5D 105(3) .
N4E Pt3 N4D C5D -72(3) .
N31 Pt3 N4D C3D -78(3) .
N4E Pt3 N4D C3D 105(3) .
C3D N4D C5D C6D -2(6) .
Pt3 N4D C5D C6D 174(3) .
C2D N1D C6D C5D -8(5) .
Cd2 N1D C6D C5D -179(2) .
N4D C5D C6D N1D 5(6) .
C6E N1E C2E C3E -2(5) .
Cd2 N1E C2E C3E -171(2) 4_556
C6E N1E C2E C2F -173(3) .
Cd2 N1E C2E C2F 18(4) 4_556
N1E C2E C3E N4E 4(5) .
C2F C2E C3E N4E 175(3) .
C2E C3E N4E C5E -3(5) .
C2E C3E N4E Pt3 176(2) .
N34 Pt3 N4E C5E -82(3) .
N4D Pt3 N4E C5E 97(3) .
N34 Pt3 N4E C3E 99(3) .
N4D Pt3 N4E C3E -82(3) .
C3E N4E C5E C6E 1(6) .
Pt3 N4E C5E C6E -179(3) .
C2E N1E C6E C5E -1(6) .
Cd2 N1E C6E C5E 168(3) 4_556
N4E C5E C6E N1E 1(6) .
C6F N1F C2F C3F -2(5) .
Cd2 N1F C2F C3F -172(3) 4_556
C6F N1F C2F C2E 180(3) .
Cd2 N1F C2F C2E 9(4) 4_556
N1E C2E C2F N1F -18(5) .
C3E C2E C2F N1F 171(3) .
N1E C2E C2F C3F 164(3) .
C3E C2E C2F C3F -7(6) .
N1F C2F C3F N4F 5(6) .
C2E C2F C3F N4F -177(3) .
C2F C3F N4F C5F -6(5) .
C2F C3F N4F Pt1 174(3) .
N11 Pt1 N4F C5F 111(3) .
N4A Pt1 N4F C5F -69(3) .
N11 Pt1 N4F C3F -69(3) .
N4A Pt1 N4F C3F 110(3) .
C3F N4F C5F C6F 4(5) .
Pt1 N4F C5F C6F -176(2) .
C2F N1F C6F C5F 0(5) .
Cd2 N1F C6F C5F 169(3) 4_556
N4F C5F C6F N1F -1(6) .
O53 S5 O52 O54 105(4) .
O51 S5 O52 O54 -107(4) .
O53 S5 O54 O52 -127(3) .
O51 S5 O54 O52 113(3) .
