#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:03:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179949 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/44/7024467.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_7024467
loop_
_publ_author_name
'Li, Jingqiu'
'Li, Fuwei'
'Koh, Lip Lin'
'Hor, T. S. Andy'
_publ_section_title
;
 [Pt2(mu-SAz)(mu-S)]2+ (SAz = azolium thiolate) dication as an unusual
 source for quadruply bridging sulfide in [Ag2Pt2(mu-SAz)(mu4-S)]3+.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2441
_journal_page_last               2448
_journal_paper_doi               10.1039/b917404d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C81 H79 Cl2 F12 N2 O P6 Pt2 S2'
_chemical_formula_weight         2035.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 128.777(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.895(11)
_cell_length_b                   26.387(11)
_cell_length_c                   17.812(7)
_cell_measurement_reflns_used    1285
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      18.56
_cell_measurement_theta_min      2.29
_cell_volume                     9855(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1421
_diffrn_reflns_av_sigmaI/netI    0.1719
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20848
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    3.091
_exptl_absorpt_correction_T_max  0.5769
_exptl_absorpt_correction_T_min  0.2174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4028
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.782
_refine_diff_density_min         -1.297
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.910
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         7920
_refine_ls_number_restraints     426
_refine_ls_restrained_S_all      0.899
_refine_ls_R_factor_all          0.2250
_refine_ls_R_factor_gt           0.0989
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2612
_refine_ls_wR_factor_ref         0.3324
_reflns_number_gt                3188
_reflns_number_total             7920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b917404d.txt
_cod_data_source_block           6393
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'Not Measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7024467
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'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 0.08008(3) 0.27687(4) 0.08859(6) 0.0718(4) Uani 1 1 d . . .
S1 S 0.0096(3) 0.2971(3) -0.0774(4) 0.0818(19) Uani 1 1 d D . .
P1 P 0.1413(3) 0.2561(3) 0.2493(4) 0.0775(18) Uani 1 1 d . . .
P2 P 0.1528(3) 0.2565(3) 0.0661(4) 0.0805(19) Uani 1 1 d . . .
C1X C 0.012(4) 0.3658(6) -0.095(4) 0.086(10) Uiso 0.50 1 d PD A 2
H1X1 H -0.0171 0.3735 -0.1627 0.128 Uiso 0.50 1 calc PR A 2
H1X2 H 0.0542 0.3756 -0.0688 0.128 Uiso 0.50 1 calc PR A 2
H1X3 H -0.0010 0.3842 -0.0630 0.128 Uiso 0.50 1 calc PR A 2
C1 C 0.006(4) 0.3671(5) -0.084(4) 0.086(10) Uiso 0.50 1 d PD A -1
H1X H -0.0188 0.3803 -0.0661 0.103 Uiso 0.50 1 calc PR A -1
H1Y H 0.0484 0.3816 -0.0427 0.103 Uiso 0.50 1 calc PR A -1
C2 C -0.026(3) 0.379(2) -0.188(4) 0.14(2) Uiso 0.50 1 d PD A -1
H2X H -0.0169 0.3508 -0.2133 0.164 Uiso 0.50 1 calc PR A -1
H2Y H -0.0716 0.3788 -0.2223 0.164 Uiso 0.50 1 calc PR A -1
C6 C 0.023(3) 0.5636(18) -0.174(4) 0.200 Uiso 0.50 1 d PD A -1
H6A H 0.0484 0.5817 -0.1852 0.300 Uiso 0.50 1 calc PR A -1
H6B H 0.0419 0.5656 -0.1069 0.300 Uiso 0.50 1 calc PR A -1
H6C H -0.0192 0.5784 -0.2117 0.300 Uiso 0.50 1 calc PR A -1
N1 N -0.009(2) 0.4259(18) -0.209(4) 0.200 Uiso 0.50 1 d PGD A -1
C3 C 0.016(2) 0.431(2) -0.260(3) 0.200 Uiso 0.50 1 d PGD A -1
H3 H 0.0202 0.4055 -0.2908 0.240 Uiso 0.50 1 calc PR A -1
C4 C 0.032(2) 0.483(2) -0.256(3) 0.200 Uiso 0.50 1 d PGD A -1
H4 H 0.0490 0.4970 -0.2829 0.240 Uiso 0.50 1 calc PR A -1
N2 N 0.0175(14) 0.5096(16) -0.202(2) 0.200 Uiso 0.50 1 d PGD A -1
C5 C -0.008(2) 0.474(2) -0.173(3) 0.200 Uiso 0.50 1 d PGD A -1
H5 H -0.0210 0.4817 -0.1373 0.240 Uiso 0.50 1 calc PR A -1
C1A C 0.1042(3) 0.2700(3) 0.3020(5) 0.084(7) Uani 1 1 d GU A .
C2A C 0.0546(3) 0.2399(3) 0.2813(6) 0.087(7) Uani 1 1 d GU . .
H2A H 0.0399 0.2129 0.2387 0.104 Uiso 1 1 calc R A .
C3A C 0.0269(4) 0.2502(4) 0.3244(6) 0.112(9) Uani 1 1 d GU A .
H3A H -0.0063 0.2301 0.3106 0.135 Uiso 1 1 calc R . .
C4A C 0.0488(4) 0.2906(4) 0.3881(7) 0.151(13) Uani 1 1 d GU . .
H4A H 0.0303 0.2975 0.4169 0.182 Uiso 1 1 calc R A .
C5A C 0.0984(4) 0.3207(4) 0.4087(6) 0.153(13) Uani 1 1 d GU A .
H5A H 0.1131 0.3477 0.4513 0.184 Uiso 1 1 calc R . .
C6A C 0.1261(4) 0.3104(3) 0.3657(5) 0.127(10) Uani 1 1 d GU . .
H6A1 H 0.1593 0.3305 0.3795 0.152 Uiso 1 1 calc R A .
C1B C 0.1570(3) 0.1917(2) 0.2732(4) 0.099(8) Uani 1 1 d GU A .
C2B C 0.1281(3) 0.1576(2) 0.1971(5) 0.118(9) Uani 1 1 d GU . .
H2B1 H 0.1037 0.1694 0.1341 0.141 Uiso 1 1 calc R A .
C3B C 0.1356(4) 0.1057(2) 0.2152(6) 0.120(10) Uani 1 1 d GU A .
H3B H 0.1163 0.0829 0.1643 0.144 Uiso 1 1 calc R . .
C4B C 0.1720(4) 0.0880(2) 0.3093(6) 0.164(14) Uani 1 1 d GU . .
H4B H 0.1770 0.0534 0.3214 0.197 Uiso 1 1 calc R A .
C5B C 0.2009(4) 0.1222(3) 0.3854(6) 0.158(13) Uani 1 1 d GU A .
H5B H 0.2252 0.1103 0.4484 0.190 Uiso 1 1 calc R . .
C6B C 0.1934(3) 0.1740(3) 0.3674(5) 0.112(9) Uani 1 1 d GU . .
H6B1 H 0.2127 0.1968 0.4183 0.134 Uiso 1 1 calc R A .
C1C C 0.2132(3) 0.2912(2) 0.3193(4) 0.074(6) Uani 1 1 d GU A .
C2C C 0.2726(3) 0.2723(3) 0.3958(3) 0.090(7) Uani 1 1 d GU . .
H2C H 0.2774 0.2381 0.4114 0.108 Uiso 1 1 calc R A .
C3C C 0.3250(3) 0.3046(3) 0.4488(4) 0.110(9) Uani 1 1 d GU A .
H3C H 0.3647 0.2919 0.5000 0.132 Uiso 1 1 calc R . .
C4C C 0.3178(3) 0.3557(3) 0.4255(5) 0.113(9) Uani 1 1 d GU . .
H4C H 0.3528 0.3773 0.4610 0.135 Uiso 1 1 calc R A .
C5C C 0.2583(4) 0.3746(3) 0.3491(5) 0.134(11) Uani 1 1 d GU A .
H5C H 0.2536 0.4089 0.3335 0.161 Uiso 1 1 calc R . .
C6C C 0.2060(3) 0.3424(2) 0.2960(5) 0.093(7) Uani 1 1 d GU . .
H6C1 H 0.1663 0.3550 0.2449 0.111 Uiso 1 1 calc R A .
C1D C 0.2356(2) 0.2441(2) 0.1697(3) 0.081(7) Uani 1 1 d GU A .
C2D C 0.2492(2) 0.1958(2) 0.2094(4) 0.092(7) Uani 1 1 d GU . .
H2D H 0.2165 0.1723 0.1846 0.110 Uiso 1 1 calc R A .
C3D C 0.3116(3) 0.1827(3) 0.2862(4) 0.112(9) Uani 1 1 d GU A .
H3D H 0.3207 0.1504 0.3128 0.135 Uiso 1 1 calc R . .
C4D C 0.3604(2) 0.2178(3) 0.3233(4) 0.126(10) Uani 1 1 d GU . .
H4D H 0.4021 0.2090 0.3746 0.151 Uiso 1 1 calc R A .
C5D C 0.3468(2) 0.2661(3) 0.2835(4) 0.108(9) Uani 1 1 d GU A .
H5D H 0.3794 0.2896 0.3083 0.130 Uiso 1 1 calc R . .
C6D C 0.2844(2) 0.2792(3) 0.2067(4) 0.101(8) Uani 1 1 d GU . .
H6D H 0.2753 0.3115 0.1801 0.121 Uiso 1 1 calc R A .
C1E C 0.1296(3) 0.2023(3) -0.0084(4) 0.092(7) Uani 1 1 d GU A .
C2E C 0.1704(3) 0.1846(3) -0.0255(4) 0.092(7) Uani 1 1 d GU . .
H2E H 0.2088 0.2011 0.0018 0.111 Uiso 1 1 calc R A .
C3E C 0.1537(4) 0.1423(3) -0.0835(5) 0.129(11) Uani 1 1 d GU A .
H3E H 0.1810 0.1305 -0.0950 0.154 Uiso 1 1 calc R . .
C4E C 0.0962(4) 0.1177(3) -0.1243(5) 0.140(12) Uani 1 1 d GU . .
H4E H 0.0850 0.0894 -0.1631 0.168 Uiso 1 1 calc R A .
C5E C 0.0554(4) 0.1354(3) -0.1071(5) 0.125(10) Uani 1 1 d GU A .
H5E H 0.0170 0.1189 -0.1344 0.150 Uiso 1 1 calc R . .
C6E C 0.0721(3) 0.1777(3) -0.0492(4) 0.085(7) Uani 1 1 d GU . .
H6E H 0.0449 0.1895 -0.0377 0.102 Uiso 1 1 calc R A .
C1F C 0.1572(3) 0.3085(3) 0.0051(4) 0.077(6) Uani 1 1 d GU A .
C2F C 0.1760(3) 0.3558(3) 0.0493(5) 0.093(8) Uani 1 1 d GU . .
H2F H 0.1867 0.3600 0.1097 0.112 Uiso 1 1 calc R A .
C3F C 0.1788(4) 0.3969(3) 0.0032(6) 0.110(9) Uani 1 1 d GU A .
H3F H 0.1913 0.4285 0.0327 0.132 Uiso 1 1 calc R . .
C4F C 0.1628(4) 0.3906(3) -0.0871(6) 0.121(10) Uani 1 1 d GU . .
H4F H 0.1647 0.4181 -0.1180 0.146 Uiso 1 1 calc R A .
C5F C 0.1440(4) 0.3434(4) -0.1313(5) 0.132(11) Uani 1 1 d GU A .
H5F H 0.1333 0.3392 -0.1917 0.159 Uiso 1 1 calc R . .
C6F C 0.1412(3) 0.3023(3) -0.0852(4) 0.098(8) Uani 1 1 d GU . .
H6F H 0.1286 0.2707 -0.1147 0.118 Uiso 1 1 calc R A .
P3 P 0.5000 0.1058(7) 0.5000 0.190(9) Uani 1 2 d SD . .
F1 F 0.4404(11) 0.1079(11) 0.492(2) 0.250(12) Uani 1 1 d DU . .
F2 F 0.5000 0.0492(10) 0.5000 0.241(17) Uani 1 2 d SDU . .
F3 F 0.4589(15) 0.1082(12) 0.3893(12) 0.267(16) Uani 1 1 d DU . .
F4 F 0.5000 0.1624(8) 0.5000 0.182(11) Uani 1 2 d SDU . .
P4 P 0.0000 0.0000 0.0000 0.165(9) Uani 1 4 d SDU . .
F5 F 0.037(2) 0.0000 -0.039(4) 0.35(2) Uani 1 2 d SDU . .
F6 F 0.0000 0.0577(5) 0.0000 0.272(19) Uani 1 2 d SDU . .
F7 F 0.0626(16) 0.0000 0.1040(16) 0.35(2) Uani 1 2 d SDU . .
P5 P 0.8715(9) 0.5000 0.8601(17) 0.110(8) Uani 0.50 2 d SPDU . .
F8 F 0.9419(11) 0.5000 0.938(3) 0.24(3) Uani 0.50 2 d SPDU . .
F9 F 0.862(2) 0.5000 0.934(3) 0.20(2) Uani 0.50 2 d SPDU . .
F10 F 0.8013(11) 0.5000 0.783(3) 0.23(3) Uani 0.50 2 d SPDU . .
F11 F 0.881(2) 0.5000 0.787(3) 0.30(4) Uani 0.50 2 d SPDU . .
F12 F 0.8715(10) 0.5563(4) 0.8605(18) 0.37(4) Uani 0.50 1 d PDU . .
C1S C 0.418(2) 0.5000 0.562(4) 0.200 Uiso 0.50 2 d SPD . .
H1S1 H 0.4267 0.4701 0.5401 0.240 Uiso 0.25 1 calc PR . .
H1S2 H 0.4267 0.5299 0.5401 0.240 Uiso 0.25 1 calc PR . .
Cl1 Cl 0.3416(19) 0.5000 0.521(3) 0.251(18) Uani 0.50 2 d SPDU . .
Cl2 Cl 0.464(2) 0.5000 0.683(4) 0.36(3) Uani 0.50 2 d SPDU . .
C2S C 0.153(7) 0.0000 0.740(4) 0.25(7) Uiso 0.50 2 d SPD . .
H2S1 H 0.1113 -0.0162 0.6972 0.305 Uiso 0.25 1 calc PR B .
H2S2 H 0.1822 -0.0167 0.7341 0.305 Uiso 0.25 1 calc PR . .
Cl3 Cl 0.148(3) 0.0638(9) 0.717(3) 0.232(14) Uani 0.25 1 d PDU B -3
Cl4 Cl 0.1805(19) 0.0000 0.857(3) 0.232(14) Uani 0.50 2 d SPDU B .
O1S O 0.5000 0.3309(19) 0.5000 0.24(2) Uiso 1 2 d SD . .
H1S H 0.4909 0.3205 0.5335 0.366 Uiso 0.50 1 calc PR . .
C3S C 0.5000 0.386(2) 0.5000 0.25(3) Uiso 1 2 d SD . .
H3S1 H 0.5306 0.3976 0.5648 0.371 Uiso 0.50 1 calc PR . .
H3S2 H 0.4583 0.3976 0.4739 0.371 Uiso 0.50 1 calc PR . .
H3S3 H 0.5110 0.3976 0.4613 0.371 Uiso 0.50 1 calc PR . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'
O O 0.0106 0.0060 '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
P2 Pt1 P1 97.9(2) . .
P2 Pt1 S1 168.4(2) . 2
P1 Pt1 S1 93.2(2) . 2
P2 Pt1 S1 86.4(2) . .
P1 Pt1 S1 175.23(18) . .
S1 Pt1 S1 82.4(2) 2 .
C1X S1 C1 10(4) . .
C1X S1 Pt1 110(3) . 2
C1 S1 Pt1 102(3) . 2
C1X S1 Pt1 110(2) . .
C1 S1 Pt1 106.1(17) . .
Pt1 S1 Pt1 91.8(2) 2 .
C1B P1 C1C 110.4(4) . .
C1B P1 C1A 101.6(4) . .
C1C P1 C1A 104.2(4) . .
C1B P1 Pt1 114.3(4) . .
C1C P1 Pt1 111.5(4) . .
C1A P1 Pt1 113.9(4) . .
C1E P2 C1F 106.8(4) . .
C1E P2 C1D 104.2(4) . .
C1F P2 C1D 104.3(4) . .
C1E P2 Pt1 112.4(3) . .
C1F P2 Pt1 108.2(4) . .
C1D P2 Pt1 120.0(3) . .
S1 C1X H1X1 109.5 . .
S1 C1X H1X2 109.5 . .
H1X1 C1X H1X2 109.5 . .
S1 C1X H1X3 109.5 . .
H1X1 C1X H1X3 109.5 . .
H1X2 C1X H1X3 109.5 . .
C2 C1 S1 105(3) . .
C2 C1 H1X 110.8 . .
S1 C1 H1X 110.8 . .
C2 C1 H1Y 110.8 . .
S1 C1 H1Y 110.8 . .
H1X C1 H1Y 108.9 . .
N1 C2 C1 118(4) . .
N1 C2 H2X 107.9 . .
C1 C2 H2X 107.9 . .
N1 C2 H2Y 107.9 . .
C1 C2 H2Y 107.9 . .
H2X C2 H2Y 107.2 . .
N2 C6 H6A 109.5 . .
N2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
N2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 N1 C3 108.0 . .
C5 N1 C2 125(5) . .
C3 N1 C2 127(5) . .
C4 C3 N1 108.0 . .
C4 C3 H3 126.0 . .
N1 C3 H3 126.0 . .
N2 C4 C3 108.0 . .
N2 C4 H4 126.0 . .
C3 C4 H4 126.0 . .
C5 N2 C4 108.0 . .
C5 N2 C6 118(2) . .
C4 N2 C6 134(2) . .
N1 C5 N2 108.0 . .
N1 C5 H5 126.0 . .
N2 C5 H5 126.0 . .
C2A C1A C6A 120.0 . .
C2A C1A P1 120.3(3) . .
C6A C1A P1 119.7(3) . .
C1A C2A C3A 120.0 . .
C1A C2A H2A 120.0 . .
C3A C2A H2A 120.0 . .
C2A C3A C4A 120.0 . .
C2A C3A H3A 120.0 . .
C4A C3A H3A 120.0 . .
C3A C4A C5A 120.0 . .
C3A C4A H4A 120.0 . .
C5A C4A H4A 120.0 . .
C6A C5A C4A 120.0 . .
C6A C5A H5A 120.0 . .
C4A C5A H5A 120.0 . .
C5A C6A C1A 120.0 . .
C5A C6A H6A1 120.0 . .
C1A C6A H6A1 120.0 . .
C2B C1B C6B 120.0 . .
C2B C1B P1 119.5(3) . .
C6B C1B P1 120.2(3) . .
C1B C2B C3B 120.0 . .
C1B C2B H2B1 120.0 . .
C3B C2B H2B1 120.0 . .
C4B C3B C2B 120.0 . .
C4B C3B H3B 120.0 . .
C2B C3B H3B 120.0 . .
C3B C4B C5B 120.0 . .
C3B C4B H4B 120.0 . .
C5B C4B H4B 120.0 . .
C4B C5B C6B 120.0 . .
C4B C5B H5B 120.0 . .
C6B C5B H5B 120.0 . .
C1B C6B C5B 120.0 . .
C1B C6B H6B1 120.0 . .
C5B C6B H6B1 120.0 . .
C2C C1C C6C 120.0 . .
C2C C1C P1 125.6(3) . .
C6C C1C P1 114.3(3) . .
C3C C2C C1C 120.0 . .
C3C C2C H2C 120.0 . .
C1C C2C H2C 120.0 . .
C2C C3C C4C 120.0 . .
C2C C3C H3C 120.0 . .
C4C C3C H3C 120.0 . .
C3C C4C C5C 120.0 . .
C3C C4C H4C 120.0 . .
C5C C4C H4C 120.0 . .
C6C C5C C4C 120.0 . .
C6C C5C H5C 120.0 . .
C4C C5C H5C 120.0 . .
C5C C6C C1C 120.0 . .
C5C C6C H6C1 120.0 . .
C1C C6C H6C1 120.0 . .
C2D C1D C6D 120.0 . .
C2D C1D P2 116.4(3) . .
C6D C1D P2 123.5(3) . .
C1D C2D C3D 120.0 . .
C1D C2D H2D 120.0 . .
C3D C2D H2D 120.0 . .
C2D C3D C4D 120.0 . .
C2D C3D H3D 120.0 . .
C4D C3D H3D 120.0 . .
C5D C4D C3D 120.0 . .
C5D C4D H4D 120.0 . .
C3D C4D H4D 120.0 . .
C4D C5D C6D 120.0 . .
C4D C5D H5D 120.0 . .
C6D C5D H5D 120.0 . .
C5D C6D C1D 120.0 . .
C5D C6D H6D 120.0 . .
C1D C6D H6D 120.0 . .
C6E C1E C2E 120.0 . .
C6E C1E P2 121.5(2) . .
C2E C1E P2 118.5(2) . .
C3E C2E C1E 120.0 . .
C3E C2E H2E 120.0 . .
C1E C2E H2E 120.0 . .
C2E C3E C4E 120.0 . .
C2E C3E H3E 120.0 . .
C4E C3E H3E 120.0 . .
C3E C4E C5E 120.0 . .
C3E C4E H4E 120.0 . .
C5E C4E H4E 120.0 . .
C4E C5E C6E 120.0 . .
C4E C5E H5E 120.0 . .
C6E C5E H5E 120.0 . .
C1E C6E C5E 120.0 . .
C1E C6E H6E 120.0 . .
C5E C6E H6E 120.0 . .
C2F C1F C6F 120.0 . .
C2F C1F P2 118.8(3) . .
C6F C1F P2 121.2(3) . .
C1F C2F C3F 120.0 . .
C1F C2F H2F 120.0 . .
C3F C2F H2F 120.0 . .
C4F C3F C2F 120.0 . .
C4F C3F H3F 120.0 . .
C2F C3F H3F 120.0 . .
C3F C4F C5F 120.0 . .
C3F C4F H4F 120.0 . .
C5F C4F H4F 120.0 . .
C6F C5F C4F 120.0 . .
C6F C5F H5F 120.0 . .
C4F C5F H5F 120.0 . .
C5F C6F C1F 120.0 . .
C5F C6F H6F 120.0 . .
C1F C6F H6F 120.0 . .
F4 P3 F2 180.000(5) . .
F4 P3 F1 87.9(13) . 2_656
F2 P3 F1 92.1(13) . 2_656
F4 P3 F1 87.9(13) . .
F2 P3 F1 92.1(13) . .
F1 P3 F1 176(3) 2_656 .
F4 P3 F3 87.7(15) . .
F2 P3 F3 92.3(15) . .
F1 P3 F3 89.1(17) 2_656 .
F1 P3 F3 90.7(17) . .
F4 P3 F3 87.7(15) . 2_656
F2 P3 F3 92.3(15) . 2_656
F1 P3 F3 90.7(17) 2_656 2_656
F1 P3 F3 89.2(17) . 2_656
F3 P3 F3 175(3) . 2_656
F6 P4 F6 180.0 . 5
F6 P4 F5 90.0 . .
F6 P4 F5 90.0 5 .
F6 P4 F5 90.0 . 5
F6 P4 F5 90.0 5 5
F5 P4 F5 179.997(2) . 5
F6 P4 F7 90.0 . .
F6 P4 F7 90.0 5 .
F5 P4 F7 90.5(12) . .
F5 P4 F7 89.5(12) 5 .
F6 P4 F7 90.0 . 5
F6 P4 F7 90.0 5 5
F5 P4 F7 89.5(12) . 5
F5 P4 F7 90.5(12) 5 5
F7 P4 F7 179.997(3) . 5
F11 P5 F12 90.3(6) . 6_565
F11 P5 F10 90.2(8) . .
F12 P5 F10 90.0(6) 6_565 .
F11 P5 F12 90.2(6) . .
F12 P5 F12 179.5(12) 6_565 .
F10 P5 F12 90.0(6) . .
F11 P5 F8 90.0(8) . .
F12 P5 F8 90.0(6) 6_565 .
F10 P5 F8 179.7(11) . .
F12 P5 F8 90.0(6) . .
F11 P5 F9 179.8(11) . .
F12 P5 F9 89.7(6) 6_565 .
F10 P5 F9 90.0(8) . .
F12 P5 F9 89.8(6) . .
F8 P5 F9 89.7(8) . .
Cl2 C1S Cl1 105.5(17) . .
Cl2 C1S H1S1 110.6 . .
Cl1 C1S H1S1 110.6 . .
Cl2 C1S H1S2 110.6 . .
Cl1 C1S H1S2 110.6 . .
H1S1 C1S H1S2 108.8 . .
Cl4 C2S Cl3 101.5(14) . 6
Cl4 C2S Cl3 101.5(14) . .
Cl3 C2S Cl3 157(3) 6 .
Cl4 C2S H2S1 111.5 . .
Cl3 C2S H2S1 60.0 6 .
Cl3 C2S H2S1 111.5 . .
Cl4 C2S H2S2 111.5 . .
Cl3 C2S H2S2 58.4 6 .
Cl3 C2S H2S2 111.5 . .
H2S1 C2S H2S2 109.3 . .
C3S O1S H1S 109.5 . .
O1S C3S H3S1 109.5 . .
O1S C3S H3S2 109.5 . .
H3S1 C3S H3S2 109.5 . .
O1S C3S H3S3 109.5 . .
H3S1 C3S H3S3 109.5 . .
H3S2 C3S H3S3 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P2 2.292(5) .
Pt1 P1 2.302(6) .
Pt1 S1 2.354(5) 2
Pt1 S1 2.366(6) .
S1 C1X 1.848(10) .
S1 C1 1.850(10) .
S1 Pt1 2.354(5) 2
P1 C1B 1.740(10) .
P1 C1C 1.769(8) .
P1 C1A 1.784(7) .
P2 C1E 1.777(9) .
P2 C1F 1.800(9) .
P2 C1D 1.824(7) .
C1X H1X1 0.9600 .
C1X H1X2 0.9600 .
C1X H1X3 0.9600 .
C1 C2 1.49(2) .
C1 H1X 0.9700 .
C1 H1Y 0.9700 .
C2 N1 1.466(19) .
C2 H2X 0.9700 .
C2 H2Y 0.9700 .
C6 N2 1.487(19) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
N1 C5 1.4200 .
N1 C3 1.4200 .
C3 C4 1.4200 .
C3 H3 0.9300 .
C4 N2 1.4200 .
C4 H4 0.9300 .
N2 C5 1.4200 .
C5 H5 0.9300 .
C1A C2A 1.3900 .
C1A C6A 1.3900 .
C2A C3A 1.3900 .
C2A H2A 0.9300 .
C3A C4A 1.3900 .
C3A H3A 0.9300 .
C4A C5A 1.3900 .
C4A H4A 0.9300 .
C5A C6A 1.3900 .
C5A H5A 0.9300 .
C6A H6A1 0.9300 .
C1B C2B 1.3900 .
C1B C6B 1.3900 .
C2B C3B 1.3901 .
C2B H2B1 0.9300 .
C3B C4B 1.3900 .
C3B H3B 0.9300 .
C4B C5B 1.3900 .
C4B H4B 0.9300 .
C5B C6B 1.3901 .
C5B H5B 0.9300 .
C6B H6B1 0.9300 .
C1C C2C 1.3900 .
C1C C6C 1.3902 .
C2C C3C 1.3899 .
C2C H2C 0.9300 .
C3C C4C 1.3900 .
C3C H3C 0.9300 .
C4C C5C 1.3901 .
C4C H4C 0.9300 .
C5C C6C 1.3898 .
C5C H5C 0.9300 .
C6C H6C1 0.9300 .
C1D C2D 1.3899 .
C1D C6D 1.3901 .
C2D C3D 1.3900 .
C2D H2D 0.9300 .
C3D C4D 1.3902 .
C3D H3D 0.9300 .
C4D C5D 1.3899 .
C4D H4D 0.9300 .
C5D C6D 1.3901 .
C5D H5D 0.9300 .
C6D H6D 0.9300 .
C1E C6E 1.3899 .
C1E C2E 1.3901 .
C2E C3E 1.3900 .
C2E H2E 0.9300 .
C3E C4E 1.3900 .
C3E H3E 0.9300 .
C4E C5E 1.3901 .
C4E H4E 0.9300 .
C5E C6E 1.3902 .
C5E H5E 0.9300 .
C6E H6E 0.9300 .
C1F C2F 1.3898 .
C1F C6F 1.3901 .
C2F C3F 1.3902 .
C2F H2F 0.9300 .
C3F C4F 1.3898 .
C3F H3F 0.9300 .
C4F C5F 1.3901 .
C4F H4F 0.9300 .
C5F C6F 1.3900 .
C5F H5F 0.9300 .
C6F H6F 0.9300 .
P3 F4 1.492(17) .
P3 F2 1.493(18) .
P3 F1 1.523(16) 2_656
P3 F1 1.523(16) .
P3 F3 1.544(17) .
P3 F3 1.544(17) 2_656
P4 F6 1.522(14) .
P4 F6 1.522(14) 5
P4 F5 1.533(14) .
P4 F5 1.533(14) 5
P4 F7 1.536(14) .
P4 F7 1.536(14) 5
P5 F11 1.484(17) .
P5 F12 1.486(10) 6_565
P5 F10 1.486(17) .
P5 F12 1.486(10) .
P5 F8 1.491(17) .
P5 F9 1.493(17) .
C1S Cl2 1.68(2) .
C1S Cl1 1.70(2) .
C1S H1S1 0.9700 .
C1S H1S2 0.9700 .
C2S Cl4 1.71(2) .
C2S Cl3 1.718(18) 6
C2S Cl3 1.718(18) .
C2S H2S1 0.9700 .
C2S H2S2 0.9700 .
O1S C3S 1.44(2) .
O1S H1S 0.8200 .
C3S H3S1 0.9600 .
C3S H3S2 0.9600 .
C3S H3S3 0.9600 .
