#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/44/7024468.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_7024468
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            'C78.5 H71 Cl F12 N2 P6 Pt2 S2'
_chemical_formula_weight         1945.94
_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                 129.555(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.636(3)
_cell_length_b                   26.735(3)
_cell_length_c                   17.911(2)
_cell_measurement_reflns_used    3697
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      20.30
_cell_measurement_theta_min      2.17
_cell_volume                     9834.0(19)
_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 0.999
_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  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28167
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    3.067
_exptl_absorpt_correction_T_max  0.7490
_exptl_absorpt_correction_T_min  0.3886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3836
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.132
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         8868
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0611
_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)+(0.1184P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.1918
_reflns_number_gt                5408
_reflns_number_total             8868
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b917404d.txt
_cod_data_source_block           6399
_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_cell_volume        9834(2)
_cod_original_sg_symbol_H-M      C2/m
_cod_original_formula_sum        'C78.50 H71 Cl F12 N2 P6 Pt2 S2'
_cod_database_code               7024468
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 0.079749(16) 0.285438(16) 0.08989(2) 0.05868(18) Uani 1 1 d . . .
S1 S 0.01127(11) 0.30922(12) -0.07360(18) 0.0657(7) Uani 1 1 d . . .
P1 P 0.15360(12) 0.26293(13) 0.06947(19) 0.0662(7) Uani 1 1 d . . .
P2 P 0.13873(13) 0.26421(12) 0.24870(19) 0.0657(7) Uani 1 1 d . . .
P3 P 0.0000 0.0000 0.0000 0.159(4) Uani 1 4 d SD . .
P4 P 0.1481(5) 0.5000 0.1555(8) 0.183(4) Uani 1 2 d SD . .
C1 C 0.0119(11) 0.3778(9) -0.0790(14) 0.076(6) Uani 0.50 1 d PD A -1
H1A H -0.0156 0.3925 -0.0667 0.091 Uiso 0.50 1 calc PR A -1
H1B H 0.0557 0.3908 -0.0321 0.091 Uiso 0.50 1 calc PR A -1
C2 C -0.015(2) 0.3884(10) -0.1804(18) 0.149(13) Uani 0.50 1 d PDU A -1
H2Y H 0.0047 0.3660 -0.1985 0.179 Uiso 0.50 1 calc PR A -1
H2X H -0.0614 0.3839 -0.2256 0.179 Uiso 0.50 1 calc PR A -1
N1 N 0.0021(12) 0.4398(6) -0.1816(15) 0.113(8) Uani 0.50 1 d PGDU A -1
C3 C 0.0017(10) 0.4809(8) -0.1319(12) 0.163(16) Uani 0.50 1 d PGU A -1
H3 H -0.0008 0.4790 -0.0824 0.195 Uiso 0.50 1 calc PR A -1
N2 N 0.0056(12) 0.5255(6) -0.1709(15) 0.137(7) Uani 0.50 1 d PGDU A -1
C5 C 0.0085(10) 0.5120(7) -0.2447(13) 0.137(7) Uani 0.50 1 d PGDU A -1
H5 H 0.0114 0.5340 -0.2822 0.165 Uiso 0.50 1 calc PR A -1
C4 C 0.0064(11) 0.4590(7) -0.2514(13) 0.137(7) Uani 0.50 1 d PGU A -1
H4 H 0.0075 0.4402 -0.2939 0.165 Uiso 0.50 1 calc PR A -1
C6 C 0.013(3) 0.5754(10) -0.133(3) 0.19(2) Uani 0.50 1 d PDU A -1
H6X H 0.0139 0.5735 -0.0787 0.285 Uiso 0.50 1 calc PR A -1
H6Y H -0.0228 0.5959 -0.1826 0.285 Uiso 0.50 1 calc PR A -1
H6Z H 0.0531 0.5898 -0.1127 0.285 Uiso 0.50 1 calc PR A -1
C1A C 0.1280(5) 0.2096(4) -0.0078(7) 0.067(3) Uani 1 1 d . A .
C2A C 0.0703(6) 0.1868(5) -0.0507(8) 0.085(3) Uani 1 1 d . . .
H2A H 0.0422 0.2007 -0.0422 0.102 Uiso 1 1 calc R A .
C3A C 0.0498(7) 0.1430(5) -0.1077(10) 0.102(4) Uani 1 1 d . A .
H3A H 0.0103 0.1273 -0.1353 0.122 Uiso 1 1 calc R . .
C4A C 0.0939(9) 0.1253(6) -0.1191(12) 0.138(6) Uani 1 1 d . . .
H4A H 0.0826 0.0972 -0.1575 0.165 Uiso 1 1 calc R A .
C5A C 0.1535(9) 0.1474(7) -0.0766(14) 0.125(6) Uani 1 1 d . A .
H5A H 0.1820 0.1344 -0.0849 0.150 Uiso 1 1 calc R . .
C6A C 0.1684(7) 0.1881(6) -0.0231(10) 0.102(4) Uani 1 1 d . . .
H6A H 0.2085 0.2031 0.0059 0.123 Uiso 1 1 calc R A .
C1B C 0.1610(5) 0.3132(5) 0.0092(8) 0.075(3) Uani 1 1 d . A .
C2B C 0.1471(6) 0.3073(6) -0.0779(9) 0.087(3) Uani 1 1 d . . .
H2B H 0.1335 0.2762 -0.1080 0.104 Uiso 1 1 calc R A .
C3B C 0.1525(8) 0.3461(8) -0.1219(12) 0.124(6) Uani 1 1 d . A .
H3B H 0.1439 0.3412 -0.1805 0.149 Uiso 1 1 calc R . .
C4B C 0.1705(9) 0.3913(9) -0.0798(15) 0.139(7) Uani 1 1 d . . .
H4B H 0.1755 0.4170 -0.1094 0.167 Uiso 1 1 calc R A .
C5B C 0.1815(8) 0.4011(7) 0.0032(12) 0.123(5) Uani 1 1 d . A .
H5B H 0.1923 0.4330 0.0302 0.147 Uiso 1 1 calc R . .
C6B C 0.1758(6) 0.3603(6) 0.0464(10) 0.097(4) Uani 1 1 d . . .
H6B H 0.1824 0.3657 0.1034 0.117 Uiso 1 1 calc R A .
C1C C 0.2379(5) 0.2449(6) 0.1710(8) 0.085(4) Uani 1 1 d . A .
C2C C 0.2879(6) 0.2807(6) 0.2079(9) 0.100(4) Uani 1 1 d . . .
H2C H 0.2777 0.3127 0.1816 0.120 Uiso 1 1 calc R A .
C3C C 0.3537(7) 0.2675(10) 0.2854(11) 0.138(7) Uani 1 1 d . A .
H3C H 0.3879 0.2896 0.3089 0.165 Uiso 1 1 calc R . .
C4C C 0.3642(8) 0.2190(10) 0.3247(12) 0.137(8) Uani 1 1 d . . .
H4C H 0.4066 0.2088 0.3751 0.164 Uiso 1 1 calc R A .
C5C C 0.3132(8) 0.1861(7) 0.2901(10) 0.117(5) Uani 1 1 d . A .
H5C H 0.3222 0.1554 0.3210 0.141 Uiso 1 1 calc R . .
C6C C 0.2490(6) 0.1975(6) 0.2111(9) 0.095(4) Uani 1 1 d . . .
H6C H 0.2154 0.1747 0.1863 0.114 Uiso 1 1 calc R A .
C1D C 0.1494(6) 0.1975(5) 0.2723(8) 0.078(3) Uani 1 1 d . A .
C2D C 0.1202(6) 0.1638(5) 0.1931(9) 0.087(3) Uani 1 1 d . . .
H2D H 0.0977 0.1766 0.1309 0.105 Uiso 1 1 calc R A .
C3D C 0.1245(7) 0.1144(7) 0.2058(11) 0.111(4) Uani 1 1 d . A .
H3D H 0.1047 0.0930 0.1529 0.133 Uiso 1 1 calc R . .
C4D C 0.1582(9) 0.0951(6) 0.2975(16) 0.136(6) Uani 1 1 d . . .
H4D H 0.1620 0.0606 0.3062 0.163 Uiso 1 1 calc R A .
C5D C 0.1870(9) 0.1264(7) 0.3782(13) 0.132(6) Uani 1 1 d . A .
H5D H 0.2095 0.1129 0.4398 0.158 Uiso 1 1 calc R . .
C6D C 0.1815(7) 0.1782(6) 0.3649(9) 0.097(4) Uani 1 1 d . . .
H6D H 0.1991 0.1996 0.4172 0.116 Uiso 1 1 calc R A .
C1E C 0.1041(6) 0.2822(5) 0.3065(8) 0.077(3) Uani 1 1 d . A .
C2E C 0.0508(6) 0.2557(6) 0.2819(8) 0.093(4) Uani 1 1 d . . .
H2E H 0.0341 0.2293 0.2383 0.112 Uiso 1 1 calc R A .
C3E C 0.0216(7) 0.2691(7) 0.3234(10) 0.115(5) Uani 1 1 d . A .
H3E H -0.0137 0.2515 0.3091 0.138 Uiso 1 1 calc R . .
C4E C 0.0486(10) 0.3107(9) 0.3876(13) 0.136(7) Uani 1 1 d . . .
H4E H 0.0283 0.3223 0.4115 0.163 Uiso 1 1 calc R A .
C5E C 0.1002(9) 0.3326(7) 0.4131(11) 0.126(6) Uani 1 1 d . A .
H5E H 0.1181 0.3580 0.4590 0.152 Uiso 1 1 calc R . .
C6E C 0.1301(7) 0.3199(6) 0.3755(9) 0.109(4) Uani 1 1 d . . .
H6E H 0.1677 0.3366 0.3961 0.130 Uiso 1 1 calc R A .
C1F C 0.2170(5) 0.2948(5) 0.3221(7) 0.071(3) Uani 1 1 d . A .
C2F C 0.2752(5) 0.2718(5) 0.3979(7) 0.076(3) Uani 1 1 d . . .
H2F H 0.2770 0.2382 0.4129 0.091 Uiso 1 1 calc R A .
C3F C 0.3327(6) 0.3030(8) 0.4517(10) 0.105(5) Uani 1 1 d . A .
H3F H 0.3727 0.2880 0.4994 0.126 Uiso 1 1 calc R . .
C4F C 0.3319(7) 0.3494(8) 0.4377(11) 0.118(5) Uani 1 1 d . . .
H4F H 0.3695 0.3682 0.4802 0.142 Uiso 1 1 calc R A .
C5F C 0.2752(8) 0.3727(6) 0.3590(11) 0.116(5) Uani 1 1 d . A .
H5F H 0.2758 0.4060 0.3443 0.139 Uiso 1 1 calc R . .
C6F C 0.2167(6) 0.3448(5) 0.3022(8) 0.087(4) Uani 1 1 d . . .
H6F H 0.1779 0.3602 0.2513 0.105 Uiso 1 1 calc R A .
F1 F 0.0230(9) 0.0431(6) -0.0237(15) 0.359(14) Uani 1 1 d D . .
F2 F 0.0626(8) 0.0000 0.1039(8) 0.231(9) Uani 1 2 d SD . .
F3 F 0.1422(11) 0.5000 0.0641(11) 0.328(13) Uani 1 2 d SD . .
F4 F 0.2018(7) 0.4643(6) 0.1975(12) 0.305(9) Uani 1 1 d DU . .
F5 F 0.0963(7) 0.4608(3) 0.1058(11) 0.337(11) Uani 1 1 d DU . .
F6 F 0.1459(14) 0.5000 0.2355(14) 0.328(13) Uani 1 2 d SD . .
P5 P 0.0000 0.4176(8) 0.5000 0.302(18) Uani 0.50 2 d SPD . .
F7 F 0.0000 0.3617(9) 0.5000 0.43(3) Uani 0.50 2 d SPD . .
F8 F 0.0405(13) 0.4159(11) 0.6087(8) 0.318(15) Uani 0.50 1 d PD . .
F9 F 0.0000 0.4736(9) 0.5000 0.43(3) Uani 0.50 2 d SPD . .
F10 F 0.0604(11) 0.4151(16) 0.512(2) 0.318(15) Uani 0.50 1 d PD . .
C1S C 0.319(2) 0.5000 0.924(4) 0.51(13) Uiso 0.50 2 d SPD . .
H1S1 H 0.3078 0.5309 0.8877 0.616 Uiso 0.25 1 calc PR B .
H1S2 H 0.3656 0.4938 0.9618 0.616 Uiso 0.25 1 calc PR . .
Cl1 Cl 0.295(2) 0.5000 0.996(3) 0.44(3) Uani 0.50 2 d SPD B .
Cl2 Cl 0.2716(17) 0.4488(14) 0.847(3) 0.282(18) Uani 0.25 1 d PD B -1
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'
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 98.85(10) . .
P2 Pt1 S1 93.40(9) . 2
P1 Pt1 S1 167.42(9) . 2
P2 Pt1 S1 174.80(9) . .
P1 Pt1 S1 86.34(9) . .
S1 Pt1 S1 81.39(10) 2 .
C1 S1 Pt1 107.9(7) . 2
C1 S1 Pt1 108.1(6) . .
Pt1 S1 Pt1 90.13(9) 2 .
C1A P1 C1B 105.2(5) . .
C1A P1 C1C 100.4(6) . .
C1B P1 C1C 104.8(6) . .
C1A P1 Pt1 112.8(3) . .
C1B P1 Pt1 109.3(4) . .
C1C P1 Pt1 122.7(3) . .
C1F P2 C1D 109.9(6) . .
C1F P2 C1E 103.5(5) . .
C1D P2 C1E 100.7(5) . .
C1F P2 Pt1 110.8(4) . .
C1D P2 Pt1 114.7(4) . .
C1E P2 Pt1 116.4(4) . .
F1 P3 F1 101.4(17) 5 2
F1 P3 F1 179.997(2) 5 .
F1 P3 F1 78.6(17) 2 .
F1 P3 F1 78.6(17) 5 6
F1 P3 F1 179.994(2) 2 6
F1 P3 F1 101.4(17) . 6
F1 P3 F2 88.9(8) 5 .
F1 P3 F2 88.9(8) 2 .
F1 P3 F2 91.1(8) . .
F1 P3 F2 91.1(8) 6 .
F1 P3 F2 91.1(8) 5 5
F1 P3 F2 91.1(8) 2 5
F1 P3 F2 88.9(8) . 5
F1 P3 F2 88.9(8) 6 5
F2 P3 F2 179.998(2) . 5
F4 P4 F4 81.1(14) . 6_565
F4 P4 F6 97.5(12) . .
F4 P4 F6 97.5(12) 6_565 .
F4 P4 F5 94.5(7) . .
F4 P4 F5 172.5(10) 6_565 .
F6 P4 F5 89.1(10) . .
F4 P4 F5 172.5(10) . 6_565
F4 P4 F5 94.5(7) 6_565 6_565
F6 P4 F5 89.1(10) . 6_565
F5 P4 F5 89.1(10) . 6_565
F4 P4 F3 87.2(8) . .
F4 P4 F3 87.2(8) 6_565 .
F6 P4 F3 173.7(16) . .
F5 P4 F3 86.4(8) . .
F5 P4 F3 86.4(8) 6_565 .
C2 C1 S1 103.8(15) . .
C2 C1 H1A 111.0 . .
S1 C1 H1A 111.0 . .
C2 C1 H1B 111.0 . .
S1 C1 H1B 111.0 . .
H1A C1 H1B 109.0 . .
N1 C2 C1 107(2) . .
N1 C2 H2Y 110.4 . .
C1 C2 H2Y 110.4 . .
N1 C2 H2X 110.4 . .
C1 C2 H2X 110.4 . .
H2Y C2 H2X 108.6 . .
C3 N1 C4 108.0 . .
C3 N1 C2 126.9(18) . .
C4 N1 C2 123.6(17) . .
N1 C3 N2 108.0 . .
N1 C3 H3 126.0 . .
N2 C3 H3 126.0 . .
C5 N2 C3 108.0 . .
C5 N2 C6 126.7(17) . .
C3 N2 C6 124.9(17) . .
C4 C5 N2 108.0 . .
C4 C5 H5 126.0 . .
N2 C5 H5 126.0 . .
C5 C4 N1 108.0 . .
C5 C4 H4 126.0 . .
N1 C4 H4 126.0 . .
N2 C6 H6X 109.5 . .
N2 C6 H6Y 109.5 . .
H6X C6 H6Y 109.5 . .
N2 C6 H6Z 109.5 . .
H6X C6 H6Z 109.5 . .
H6Y C6 H6Z 109.5 . .
C2A C1A C6A 116.3(11) . .
C2A C1A P1 122.3(8) . .
C6A C1A P1 121.3(9) . .
C1A C2A C3A 124.1(11) . .
C1A C2A H2A 117.9 . .
C3A C2A H2A 117.9 . .
C4A C3A C2A 114.3(13) . .
C4A C3A H3A 122.9 . .
C2A C3A H3A 122.9 . .
C5A C4A C3A 123.6(14) . .
C5A C4A H4A 118.2 . .
C3A C4A H4A 118.2 . .
C6A C5A C4A 117.2(14) . .
C6A C5A H5A 121.4 . .
C4A C5A H5A 121.4 . .
C5A C6A C1A 124.4(14) . .
C5A C6A H6A 117.8 . .
C1A C6A H6A 117.8 . .
C6B C1B C2B 116.8(13) . .
C6B C1B P1 120.1(9) . .
C2B C1B P1 122.9(11) . .
C1B C2B C3B 121.4(15) . .
C1B C2B H2B 119.3 . .
C3B C2B H2B 119.3 . .
C4B C3B C2B 119.4(16) . .
C4B C3B H3B 120.3 . .
C2B C3B H3B 120.3 . .
C3B C4B C5B 123.1(18) . .
C3B C4B H4B 118.4 . .
C5B C4B H4B 118.4 . .
C4B C5B C6B 115.7(17) . .
C4B C5B H5B 122.1 . .
C6B C5B H5B 122.1 . .
C1B C6B C5B 123.3(13) . .
C1B C6B H6B 118.3 . .
C5B C6B H6B 118.3 . .
C6C C1C C2C 123.1(11) . .
C6C C1C P1 118.3(10) . .
C2C C1C P1 118.6(11) . .
C1C C2C C3C 119.9(16) . .
C1C C2C H2C 120.1 . .
C3C C2C H2C 120.1 . .
C4C C3C C2C 116.2(18) . .
C4C C3C H3C 121.9 . .
C2C C3C H3C 121.9 . .
C5C C4C C3C 122.1(16) . .
C5C C4C H4C 119.0 . .
C3C C4C H4C 119.0 . .
C6C C5C C4C 122.2(16) . .
C6C C5C H5C 118.9 . .
C4C C5C H5C 118.9 . .
C5C C6C C1C 116.4(14) . .
C5C C6C H6C 121.8 . .
C1C C6C H6C 121.8 . .
C6D C1D C2D 118.9(12) . .
C6D C1D P2 121.9(10) . .
C2D C1D P2 119.1(9) . .
C3D C2D C1D 121.7(13) . .
C3D C2D H2D 119.2 . .
C1D C2D H2D 119.2 . .
C2D C3D C4D 119.6(15) . .
C2D C3D H3D 120.2 . .
C4D C3D H3D 120.2 . .
C3D C4D C5D 121.4(16) . .
C3D C4D H4D 119.3 . .
C5D C4D H4D 119.3 . .
C6D C5D C4D 119.1(15) . .
C6D C5D H5D 120.4 . .
C4D C5D H5D 120.4 . .
C1D C6D C5D 119.2(14) . .
C1D C6D H6D 120.4 . .
C5D C6D H6D 120.4 . .
C2E C1E C6E 118.9(11) . .
C2E C1E P2 118.0(9) . .
C6E C1E P2 123.1(10) . .
C1E C2E C3E 119.8(14) . .
C1E C2E H2E 120.1 . .
C3E C2E H2E 120.1 . .
C2E C3E C4E 117.2(14) . .
C2E C3E H3E 121.4 . .
C4E C3E H3E 121.4 . .
C5E C4E C3E 121.4(15) . .
C5E C4E H4E 119.3 . .
C3E C4E H4E 119.3 . .
C4E C5E C6E 122.6(17) . .
C4E C5E H5E 118.7 . .
C6E C5E H5E 118.7 . .
C5E C6E C1E 119.8(15) . .
C5E C6E H6E 120.1 . .
C1E C6E H6E 120.1 . .
C6F C1F C2F 119.8(11) . .
C6F C1F P2 115.9(9) . .
C2F C1F P2 124.2(10) . .
C1F C2F C3F 116.4(13) . .
C1F C2F H2F 121.8 . .
C3F C2F H2F 121.8 . .
C4F C3F C2F 123.8(14) . .
C4F C3F H3F 118.1 . .
C2F C3F H3F 118.1 . .
C3F C4F C5F 120.7(16) . .
C3F C4F H4F 119.6 . .
C5F C4F H4F 119.6 . .
C4F C5F C6F 118.6(15) . .
C4F C5F H5F 120.7 . .
C6F C5F H5F 120.7 . .
C1F C6F C5F 120.1(13) . .
C1F C6F H6F 119.9 . .
C5F C6F H6F 119.9 . .
F10 P5 F10 175(4) 2_556 .
F10 P5 F7 87.5(19) 2_556 .
F10 P5 F7 87.5(19) . .
F10 P5 F9 92.5(19) 2_556 .
F10 P5 F9 92.5(19) . .
F7 P5 F9 180.000(7) . .
F10 P5 F8 90.3(10) 2_556 .
F10 P5 F8 89.6(11) . .
F7 P5 F8 88.3(10) . .
F9 P5 F8 91.7(10) . .
F10 P5 F8 89.6(10) 2_556 2_556
F10 P5 F8 90.2(10) . 2_556
F7 P5 F8 88.3(10) . 2_556
F9 P5 F8 91.7(10) . 2_556
F8 P5 F8 177(2) . 2_556
F9 F9 P5 179.996(8) 5_566 .
Cl2 C1S Cl2 101(4) . 6_565
Cl2 C1S Cl1 98.6(11) . .
Cl2 C1S Cl1 98.6(11) 6_565 .
Cl2 C1S H1S1 112.0 . .
Cl2 C1S H1S1 20.1 6_565 .
Cl1 C1S H1S1 112.0 . .
Cl2 C1S H1S2 112.0 . .
Cl2 C1S H1S2 129.7 6_565 .
Cl1 C1S H1S2 112.0 . .
H1S1 C1S H1S2 109.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P2 2.278(3) .
Pt1 P1 2.298(2) .
Pt1 S1 2.338(2) 2
Pt1 S1 2.346(3) .
S1 C1 1.84(2) .
S1 Pt1 2.338(2) 2
P1 C1A 1.792(11) .
P1 C1B 1.812(13) .
P1 C1C 1.838(11) .
P2 C1F 1.803(11) .
P2 C1D 1.812(13) .
P2 C1E 1.837(11) .
P3 F1 1.488(8) 5
P3 F1 1.488(8) 2
P3 F1 1.488(8) .
P3 F1 1.488(8) 6
P3 F2 1.513(9) .
P3 F2 1.514(9) 5
P4 F4 1.467(8) .
P4 F4 1.467(8) 6_565
P4 F6 1.472(9) .
P4 F5 1.495(8) .
P4 F5 1.495(8) 6_565
P4 F3 1.540(9) .
C1 C2 1.499(18) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 N1 1.449(18) .
C2 H2Y 0.9700 .
C2 H2X 0.9700 .
N1 C3 1.4200 .
N1 C4 1.4200 .
C3 N2 1.4200 .
C3 H3 0.9300 .
N2 C5 1.4200 .
N2 C6 1.451(17) .
C5 C4 1.4200 .
C5 H5 0.9300 .
C4 H4 0.9300 .
C6 H6X 0.9600 .
C6 H6Y 0.9600 .
C6 H6Z 0.9600 .
C1A C2A 1.350(15) .
C1A C6A 1.393(15) .
C2A C3A 1.415(17) .
C2A H2A 0.9300 .
C3A C4A 1.397(19) .
C3A H3A 0.9300 .
C4A C5A 1.38(2) .
C4A H4A 0.9300 .
C5A C6A 1.332(19) .
C5A H5A 0.9300 .
C6A H6A 0.9300 .
C1B C6B 1.360(17) .
C1B C2B 1.363(15) .
C2B C3B 1.37(2) .
C2B H2B 0.9300 .
C3B C4B 1.34(2) .
C3B H3B 0.9300 .
C4B C5B 1.34(2) .
C4B H4B 0.9300 .
C5B C6B 1.402(19) .
C5B H5B 0.9300 .
C6B H6B 0.9300 .
C1C C6C 1.393(19) .
C1C C2C 1.415(17) .
C2C C3C 1.424(19) .
C2C H2C 0.9300 .
C3C C4C 1.42(2) .
C3C H3C 0.9300 .
C4C C5C 1.39(2) .
C4C H4C 0.9300 .
C5C C6C 1.391(18) .
C5C H5C 0.9300 .
C6C H6C 0.9300 .
C1D C6D 1.393(15) .
C1D C2D 1.423(16) .
C2D C3D 1.334(19) .
C2D H2D 0.9300 .
C3D C4D 1.38(2) .
C3D H3D 0.9300 .
C4D C5D 1.40(2) .
C4D H4D 0.9300 .
C5D C6D 1.40(2) .
C5D H5D 0.9300 .
C6D H6D 0.9300 .
C1E C2E 1.383(16) .
C1E C6E 1.391(17) .
C2E C3E 1.421(17) .
C2E H2E 0.9300 .
C3E C4E 1.42(2) .
C3E H3E 0.9300 .
C4E C5E 1.28(2) .
C4E H4E 0.9300 .
C5E C6E 1.374(18) .
C5E H5E 0.9300 .
C6E H6E 0.9300 .
C1F C6F 1.382(15) .
C1F C2F 1.395(15) .
C2F C3F 1.446(19) .
C2F H2F 0.9300 .
C3F C4F 1.264(19) .
C3F H3F 0.9300 .
C4F C5F 1.39(2) .
C4F H4F 0.9300 .
C5F C6F 1.414(17) .
C5F H5F 0.9300 .
C6F H6F 0.9300 .
P5 F10 1.482(10) 2_556
P5 F10 1.482(10) .
P5 F7 1.493(10) .
P5 F9 1.499(10) .
P5 F8 1.510(10) .
P5 F8 1.510(10) 2_556
F9 F9 1.41(5) 5_566
C1S Cl2 1.776(10) .
C1S Cl2 1.776(10) 6_565
C1S Cl1 1.783(10) .
C1S H1S1 0.9700 .
C1S H1S2 0.9700 .
