#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/11/7011136.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_7011136
loop_
_publ_author_name
'Fong, S.-W. Audi'
'Yap, Woon Teck'
'Vittal, Jagadese J.'
'Henderson, William'
'Hor, T. S. Andy'
_publ_section_title
;
 Mass spectrometry-directed synthesis of 'early--late' sulfide-bridged
 heterobimetallic complexes from the metalloligand
 [Pt2(PPh3)4(µ-S)2] and oxo compounds of vanadium(v),
 molybdenum(vi) and uranium(vi)
;
_journal_issue                   8
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1826
_journal_paper_doi               10.1039/b107939p
_journal_year                    2002
_chemical_formula_sum            'C74 H67 F6 O3.5 P5 Pt2 S2 V'
_chemical_formula_weight         1786.37
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.6140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.7574(4)
_cell_length_b                   41.8464(9)
_cell_length_c                   19.3758(4)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.06
_cell_volume                     14382.9(5)
_computing_cell_refinement       'Bruker AXS, SAINT'
_computing_data_collection       'Bruker AXS, SMART'
_computing_data_reduction        'Bruker AXS, SAINT'
_computing_molecular_graphics    'Bruker AXS, SHELXTL'
_computing_publication_material  'Bruker AXS, SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_method       'ω 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  0.0787
_diffrn_reflns_av_sigmaI/netI    0.1027
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            69229
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    4.240
_exptl_absorpt_correction_T_max  0.8585
_exptl_absorpt_correction_T_min  0.6430
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'rod, cut'
_exptl_crystal_F_000             7032
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.513
_refine_diff_density_min         -2.016
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1492
_refine_ls_number_reflns         24869
_refine_ls_number_restraints     320
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1338
_refine_ls_R_factor_gt           0.0776
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0857P)²+164.8829P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1813
_refine_ls_wR_factor_ref         0.2047
_reflns_number_gt                15301
_reflns_number_total             24869
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107939p.txt
_cod_data_source_block           054
_cod_original_cell_volume        14382.8(5)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C74 H67 F6 O3.50 P5 Pt2 S2 V'
_cod_database_code               7011136
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.08437(3) 0.210725(12) 0.38447(3) 0.02554(14) Uani 1 1 d . . .
Pt2 Pt 0.27085(3) 0.205324(12) 0.39045(3) 0.02626(14) Uani 1 1 d . . .
S1 S 0.17551(19) 0.19009(8) 0.46431(18) 0.0276(8) Uani 1 1 d . . .
S2 S 0.17421(19) 0.18950(8) 0.31185(18) 0.0286(8) Uani 1 1 d . . .
V1 V 0.16882(16) 0.14263(6) 0.38948(14) 0.0401(7) Uani 1 1 d . . .
O1 O 0.0799(7) 0.1345(3) 0.3811(8) 0.074(4) Uani 1 1 d . . .
O2 O 0.2000(8) 0.1209(3) 0.4666(6) 0.067(4) Uani 1 1 d . . .
C2 C 0.1591(15) 0.1134(5) 0.5269(10) 0.096(9) Uani 1 1 d . . .
H2A H 0.1672 0.1298 0.5609 0.145 Uiso 1 1 calc R . .
H2B H 0.1766 0.0933 0.5456 0.145 Uiso 1 1 calc R . .
H2C H 0.1063 0.1119 0.5144 0.145 Uiso 1 1 calc R . .
O3 O 0.2206(9) 0.1222(3) 0.3289(7) 0.080(4) Uani 1 1 d . . .
C3 C 0.2130(14) 0.1147(6) 0.2560(10) 0.089(7) Uani 1 1 d . . .
H3A H 0.1626 0.1075 0.2448 0.134 Uiso 1 1 calc R . .
H3B H 0.2482 0.0983 0.2452 0.134 Uiso 1 1 calc R . .
H3C H 0.2230 0.1336 0.2296 0.134 Uiso 1 1 calc R . .
P1 P 0.0136(2) 0.22627(9) 0.2874(2) 0.0287(8) Uani 1 1 d . . .
P2 P 0.0099(2) 0.22982(9) 0.4692(2) 0.0322(9) Uani 1 1 d . . .
P3 P 0.3529(2) 0.21534(9) 0.3061(2) 0.0342(9) Uani 1 1 d . . .
P4 P 0.3470(2) 0.22007(9) 0.4844(2) 0.0305(9) Uani 1 1 d . . .
C1A C 0.0490(8) 0.2634(3) 0.2507(7) 0.033(3) Uani 1 1 d . . .
C2A C 0.0025(10) 0.2821(4) 0.2064(9) 0.053(5) Uani 1 1 d . . .
H2A' H -0.0459 0.2750 0.1938 0.064 Uiso 1 1 calc R . .
C3A C 0.0275(9) 0.3109(4) 0.1813(9) 0.050(5) Uani 1 1 d . . .
H3A' H -0.0038 0.3233 0.1524 0.060 Uiso 1 1 calc R . .
C4A C 0.0996(10) 0.3209(4) 0.1996(10) 0.063(6) Uani 1 1 d . . .
H4A H 0.1165 0.3405 0.1837 0.076 Uiso 1 1 calc R . .
C5A C 0.1469(10) 0.3024(4) 0.2410(9) 0.051(5) Uani 1 1 d . . .
H5A H 0.1962 0.3089 0.2512 0.062 Uiso 1 1 calc R . .
C6A C 0.1209(8) 0.2740(4) 0.2673(8) 0.042(4) Uani 1 1 d . . .
H6A H 0.1524 0.2618 0.2967 0.051 Uiso 1 1 calc R . .
C1B C 0.0232(8) 0.1957(3) 0.2192(8) 0.034(4) Uani 1 1 d . . .
C2B C 0.0473(9) 0.2039(4) 0.1567(8) 0.045(4) Uani 1 1 d . . .
H2B' H 0.0585 0.2250 0.1469 0.054 Uiso 1 1 calc R . .
C3B C 0.0556(9) 0.1798(4) 0.1058(9) 0.052(5) Uani 1 1 d . . .
H3B' H 0.0733 0.1852 0.0628 0.063 Uiso 1 1 calc R . .
C4B C 0.0377(9) 0.1490(4) 0.1197(10) 0.057(5) Uani 1 1 d . . .
H4B H 0.0429 0.1332 0.0864 0.068 Uiso 1 1 calc R . .
C5B C 0.0120(10) 0.1414(4) 0.1832(9) 0.054(5) Uani 1 1 d . . .
H5B H -0.0011 0.1204 0.1927 0.064 Uiso 1 1 calc R . .
C6B C 0.0050(9) 0.1651(4) 0.2347(9) 0.052(5) Uani 1 1 d . . .
H6B H -0.0116 0.1598 0.2781 0.062 Uiso 1 1 calc R . .
C1C C -0.0889(8) 0.2331(4) 0.2912(7) 0.036(4) Uani 1 1 d . . .
C2C C -0.1141(9) 0.2619(4) 0.3211(8) 0.048(4) Uani 1 1 d . . .
H2C' H -0.0794 0.2775 0.3348 0.057 Uiso 1 1 calc R . .
C3C C -0.1896(10) 0.2668(4) 0.3298(8) 0.051(5) Uani 1 1 d . . .
H3C' H -0.2067 0.2857 0.3487 0.062 Uiso 1 1 calc R . .
C4C C -0.2405(10) 0.2423(5) 0.3093(10) 0.064(5) Uani 1 1 d . . .
H4C H -0.2916 0.2452 0.3157 0.077 Uiso 1 1 calc R . .
C5C C -0.2174(10) 0.2150(5) 0.2808(11) 0.067(6) Uani 1 1 d . . .
H5C H -0.2523 0.1994 0.2673 0.080 Uiso 1 1 calc R . .
C6C C -0.1408(9) 0.2101(4) 0.2715(8) 0.048(4) Uani 1 1 d . . .
H6C H -0.1248 0.1912 0.2518 0.057 Uiso 1 1 calc R . .
C1D C -0.0789(8) 0.2091(3) 0.4764(8) 0.036(4) Uani 1 1 d . . .
C2D C -0.1017(10) 0.1862(4) 0.4267(9) 0.050(5) Uani 1 1 d . . .
H2D H -0.0716 0.1813 0.3902 0.060 Uiso 1 1 calc R . .
C3D C -0.1728(10) 0.1708(4) 0.4342(10) 0.059(5) Uani 1 1 d . . .
H3D H -0.1872 0.1548 0.4030 0.070 Uiso 1 1 calc R . .
C4D C -0.2183(10) 0.1782(4) 0.4828(11) 0.066(6) Uani 1 1 d . . .
H4D H -0.2656 0.1687 0.4836 0.079 Uiso 1 1 calc R . .
C5D C -0.1960(10) 0.2005(5) 0.5342(12) 0.073(7) Uani 1 1 d . . .
H5D H -0.2271 0.2047 0.5704 0.087 Uiso 1 1 calc R . .
C6D C -0.1277(11) 0.2160(4) 0.5304(11) 0.064(6) Uani 1 1 d . . .
H6D H -0.1135 0.2311 0.5637 0.076 Uiso 1 1 calc R . .
C1E C -0.0094(9) 0.2728(4) 0.4597(7) 0.036(4) Uani 1 1 d . . .
C2E C 0.0452(10) 0.2905(3) 0.4274(9) 0.045(4) Uani 1 1 d . . .
H2E H 0.0892 0.2806 0.4143 0.054 Uiso 1 1 calc R . .
C3E C 0.0340(13) 0.3235(4) 0.4143(10) 0.072(6) Uani 1 1 d . . .
H3E H 0.0708 0.3354 0.3933 0.087 Uiso 1 1 calc R . .
C4E C -0.0300(13) 0.3374(4) 0.4325(11) 0.080(7) Uani 1 1 d . . .
H4E H -0.0376 0.3591 0.4243 0.096 Uiso 1 1 calc R . .
C5E C -0.0820(13) 0.3207(4) 0.4617(11) 0.079(7) Uani 1 1 d . . .
H5E H -0.1265 0.3309 0.4725 0.095 Uiso 1 1 calc R . .
C6E C -0.0740(11) 0.2884(4) 0.4775(9) 0.057(5) Uani 1 1 d . . .
H6E H -0.1117 0.2776 0.4997 0.068 Uiso 1 1 calc R . .
C1F C 0.0509(9) 0.2260(4) 0.5561(8) 0.040(4) Uani 1 1 d . . .
C2F C 0.0838(10) 0.2519(4) 0.5927(9) 0.054(5) Uani 1 1 d . . .
H2F H 0.0822 0.2723 0.5738 0.064 Uiso 1 1 calc R . .
C3F C 0.1195(11) 0.2466(4) 0.6591(9) 0.061(5) Uani 1 1 d . . .
H3F H 0.1361 0.2633 0.6876 0.073 Uiso 1 1 calc R . .
C4F C 0.1285(11) 0.2128(5) 0.6796(11) 0.077(7) Uani 1 1 d . . .
H4F H 0.1590 0.2074 0.7182 0.093 Uiso 1 1 calc R . .
C5F C 0.0949(11) 0.1912(6) 0.6449(10) 0.078(7) Uani 1 1 d . . .
H5F H 0.0936 0.1710 0.6651 0.094 Uiso 1 1 calc R . .
C6F C 0.0609(10) 0.1941(4) 0.5826(8) 0.050(5) Uani 1 1 d . . .
H6F H 0.0445 0.1763 0.5573 0.060 Uiso 1 1 calc R . .
C1G C 0.4374(8) 0.1898(4) 0.3190(9) 0.044(4) Uani 1 1 d . . .
C2G C 0.4256(10) 0.1601(4) 0.3385(9) 0.051(5) Uani 1 1 d . . .
H2G H 0.3775 0.1536 0.3493 0.061 Uiso 1 1 calc R . .
C3G C 0.4846(11) 0.1387(5) 0.3426(10) 0.068(6) Uani 1 1 d . . .
H3G H 0.4735 0.1176 0.3535 0.082 Uiso 1 1 calc R . .
C4G C 0.5574(13) 0.1459(6) 0.3323(12) 0.090(8) Uani 1 1 d . . .
H4G H 0.5964 0.1311 0.3378 0.108 Uiso 1 1 calc R . .
C5G C 0.5689(11) 0.1780(7) 0.3124(11) 0.091(8) Uani 1 1 d . . .
H5G H 0.6171 0.1849 0.3029 0.109 Uiso 1 1 calc R . .
C6G C 0.5086(10) 0.1993(5) 0.3068(9) 0.064(6) Uani 1 1 d . . .
H6G H 0.5174 0.2205 0.2945 0.076 Uiso 1 1 calc R . .
C1H C 0.3165(6) 0.2069(3) 0.2154(5) 0.045(4) Uiso 1 1 d G . .
C2H C 0.3336(6) 0.1780(3) 0.1846(6) 0.065(5) Uiso 1 1 d G . .
H2H H 0.3678 0.1641 0.2065 0.077 Uiso 1 1 calc R . .
C3H C 0.2995(8) 0.1698(2) 0.1210(6) 0.094(8) Uiso 1 1 d G . .
H3H H 0.3109 0.1504 0.1004 0.112 Uiso 1 1 calc R . .
C4H C 0.2483(7) 0.1906(3) 0.0883(5) 0.072(6) Uiso 1 1 d G . .
H4H H 0.2255 0.1851 0.0458 0.087 Uiso 1 1 calc R . .
C5H C 0.2312(6) 0.2195(3) 0.1191(6) 0.039(4) Uiso 1 1 d G . .
H5H H 0.1970 0.2334 0.0972 0.047 Uiso 1 1 calc R . .
C6H C 0.2653(7) 0.2277(2) 0.1827(6) 0.074(6) Uiso 1 1 d G . .
H6H H 0.2539 0.2470 0.2033 0.089 Uiso 1 1 calc R . .
C1I C 0.3785(8) 0.2583(3) 0.3000(8) 0.036(4) Uiso 1 1 d . . .
C2I C 0.4292(12) 0.2683(5) 0.2530(11) 0.074(6) Uiso 1 1 d . . .
H2I H 0.4542 0.2543 0.2246 0.088 Uiso 1 1 calc R . .
C3I C 0.4405(15) 0.3024(6) 0.2515(14) 0.099(8) Uiso 1 1 d . . .
H3I H 0.4726 0.3108 0.2195 0.118 Uiso 1 1 calc R . .
C4I C 0.4075(14) 0.3226(6) 0.2935(13) 0.097(8) Uiso 1 1 d . . .
H4I H 0.4204 0.3441 0.2931 0.116 Uiso 1 1 calc R . .
C5I C 0.3568(11) 0.3126(5) 0.3355(10) 0.065(5) Uiso 1 1 d . . .
H5I H 0.3326 0.3272 0.3630 0.078 Uiso 1 1 calc R . .
C6I C 0.3388(9) 0.2798(4) 0.3395(8) 0.047(4) Uiso 1 1 d . . .
H6I H 0.3013 0.2728 0.3677 0.056 Uiso 1 1 calc R . .
C1J C 0.3186(8) 0.2589(3) 0.5216(8) 0.034(4) Uani 1 1 d . . .
C2J C 0.3690(9) 0.2750(4) 0.5668(7) 0.038(4) Uani 1 1 d . . .
H2J H 0.4158 0.2662 0.5792 0.046 Uiso 1 1 calc R . .
C3J C 0.3476(9) 0.3043(4) 0.5926(9) 0.050(5) Uani 1 1 d . . .
H3J H 0.3805 0.3156 0.6224 0.060 Uiso 1 1 calc R . .
C4J C 0.2767(11) 0.3170(4) 0.5741(9) 0.058(5) Uani 1 1 d . . .
H4J H 0.2625 0.3366 0.5920 0.070 Uiso 1 1 calc R . .
C5J C 0.2284(9) 0.3010(4) 0.5302(8) 0.040(4) Uani 1 1 d . . .
H5J H 0.1819 0.3100 0.5174 0.047 Uiso 1 1 calc R . .
C6J C 0.2478(9) 0.2711(4) 0.5039(8) 0.041(4) Uani 1 1 d . . .
H6J H 0.2139 0.2597 0.4754 0.050 Uiso 1 1 calc R . .
C1K C 0.4491(8) 0.2250(4) 0.4759(8) 0.037(4) Uani 1 1 d . . .
C2K C 0.4996(9) 0.2005(4) 0.4945(10) 0.052(5) Uani 1 1 d . . .
H2K H 0.4815 0.1812 0.5107 0.063 Uiso 1 1 calc R . .
C3K C 0.5768(10) 0.2050(5) 0.4888(11) 0.070(6) Uani 1 1 d . . .
H3K H 0.6100 0.1887 0.5020 0.084 Uiso 1 1 calc R . .
C4K C 0.6056(10) 0.2347(5) 0.4627(10) 0.068(6) Uani 1 1 d . . .
H4K H 0.6570 0.2374 0.4569 0.082 Uiso 1 1 calc R . .
C5K C 0.5552(9) 0.2588(5) 0.4464(9) 0.052(5) Uani 1 1 d . . .
H5K H 0.5723 0.2785 0.4315 0.063 Uiso 1 1 calc R . .
C6K C 0.4778(9) 0.2535(4) 0.4525(8) 0.042(4) Uani 1 1 d . . .
H6K H 0.4443 0.2698 0.4403 0.051 Uiso 1 1 calc R . .
C1L C 0.3396(8) 0.1902(3) 0.5546(8) 0.035(4) Uani 1 1 d . . .
C2L C 0.3189(9) 0.1983(4) 0.6193(8) 0.042(4) Uani 1 1 d . . .
H2L H 0.3090 0.2195 0.6305 0.050 Uiso 1 1 calc R . .
C3L C 0.3132(11) 0.1741(4) 0.6683(10) 0.059(5) Uani 1 1 d . . .
H3L H 0.2987 0.1794 0.7124 0.071 Uiso 1 1 calc R . .
C4L C 0.3282(11) 0.1431(5) 0.6531(11) 0.074(7) Uani 1 1 d . . .
H4L H 0.3271 0.1275 0.6873 0.089 Uiso 1 1 calc R . .
C5L C 0.3438(10) 0.1356(4) 0.5913(9) 0.053(5) Uani 1 1 d . . .
H5L H 0.3503 0.1141 0.5808 0.064 Uiso 1 1 calc R . .
C6L C 0.3515(9) 0.1582(4) 0.5386(9) 0.051(4) Uani 1 1 d . . .
H6L H 0.3641 0.1520 0.4945 0.061 Uiso 1 1 calc R . .
Pt3 Pt 0.33657(3) 0.457704(12) 0.25912(3) 0.02383(13) Uani 1 1 d . . .
Pt4 Pt 0.15022(3) 0.462370(13) 0.25505(3) 0.02676(14) Uani 1 1 d . . .
S3 S 0.2427(2) 0.44641(8) 0.33796(18) 0.0281(8) Uani 1 1 d . . .
S4 S 0.2388(2) 0.43837(9) 0.18558(19) 0.0311(8) Uani 1 1 d . . .
V2 V 0.23649(16) 0.39558(6) 0.27556(15) 0.0439(7) Uani 1 1 d . . .
O4 O 0.1493(8) 0.3856(3) 0.2710(9) 0.094(5) Uani 1 1 d . . .
O5 O 0.2693(8) 0.3789(3) 0.3586(7) 0.072(4) Uani 1 1 d . . .
O6 O 0.2895(11) 0.3724(3) 0.2223(7) 0.106(6) Uani 1 1 d . . .
C5 C 0.2335(12) 0.3751(6) 0.4199(10) 0.082(7) Uani 1 1 d . . .
H5M H 0.2403 0.3940 0.4475 0.123 Uiso 1 1 calc R . .
H5N H 0.2547 0.3571 0.4446 0.123 Uiso 1 1 calc R . .
H5O H 0.1807 0.3715 0.4102 0.123 Uiso 1 1 calc R . .
C6 C 0.2872(14) 0.3608(5) 0.1534(10) 0.086(8) Uani 1 1 d . . .
H6M H 0.2504 0.3440 0.1486 0.129 Uiso 1 1 calc R . .
H6N H 0.3358 0.3527 0.1429 0.129 Uiso 1 1 calc R . .
H6O H 0.2736 0.3779 0.1222 0.129 Uiso 1 1 calc R . .
P5 P 0.4166(2) 0.46303(9) 0.17200(19) 0.0320(9) Uani 1 1 d . . .
P6 P 0.4137(2) 0.47514(9) 0.35047(18) 0.0268(8) Uani 1 1 d . . .
P7 P 0.0789(2) 0.47600(9) 0.15736(19) 0.0286(8) Uani 1 1 d . . .
P8 P 0.0725(2) 0.47991(10) 0.3380(2) 0.0354(9) Uani 1 1 d . . .
C1M C 0.5031(9) 0.4393(4) 0.1921(8) 0.041(4) Uani 1 1 d . . .
C2M C 0.5750(9) 0.4503(4) 0.1747(10) 0.056(5) Uani 1 1 d . . .
H2M H 0.5813 0.4704 0.1555 0.068 Uiso 1 1 calc R . .
C3M C 0.6363(10) 0.4298(5) 0.1873(11) 0.067(6) Uani 1 1 d . . .
H3M H 0.6843 0.4363 0.1758 0.080 Uiso 1 1 calc R . .
C4M C 0.6258(11) 0.3997(5) 0.2170(10) 0.069(6) Uani 1 1 d . . .
H4M H 0.6670 0.3864 0.2268 0.083 Uiso 1 1 calc R . .
C5M C 0.5543(10) 0.3896(5) 0.2317(9) 0.060(5) Uani 1 1 d . . .
H5M' H 0.5478 0.3697 0.2516 0.071 Uiso 1 1 calc R . .
C6M C 0.4923(9) 0.4087(4) 0.2174(8) 0.043(4) Uani 1 1 d . . .
H6M' H 0.4439 0.4012 0.2246 0.052 Uiso 1 1 calc R . .
C1N C 0.4420(9) 0.5030(3) 0.1487(8) 0.036(4) Uani 1 1 d . . .
C2N C 0.4902(11) 0.5080(4) 0.0932(9) 0.059(5) Uani 1 1 d . . .
H2N H 0.5080 0.4906 0.0687 0.071 Uiso 1 1 calc R . .
C3N C 0.5110(10) 0.5394(4) 0.0752(10) 0.062(6) Uani 1 1 d . . .
H3N H 0.5389 0.5433 0.0366 0.075 Uiso 1 1 calc R . .
C4N C 0.4882(12) 0.5648(4) 0.1176(11) 0.074(7) Uani 1 1 d . . .
H4N H 0.5076 0.5852 0.1115 0.088 Uiso 1 1 calc R . .
C5N C 0.4371(11) 0.5595(4) 0.1683(9) 0.059(5) Uani 1 1 d . . .
H5N' H 0.4172 0.5766 0.1920 0.071 Uiso 1 1 calc R . .
C6N C 0.4158(8) 0.5287(4) 0.1833(8) 0.040(4) Uani 1 1 d . . .
H6N' H 0.3824 0.5254 0.2182 0.048 Uiso 1 1 calc R . .
C1O C 0.3814(8) 0.4472(3) 0.0889(9) 0.048(4) Uani 1 1 d D . .
C2O C 0.3298(9) 0.4667(5) 0.0500(9) 0.077(6) Uani 1 1 d D . .
H2O H 0.3162 0.4865 0.0676 0.092 Uiso 1 1 calc R . .
C3O C 0.2985(11) 0.4567(8) -0.0151(12) 0.18(2) Uani 1 1 d D . .
H3O H 0.2656 0.4693 -0.0421 0.217 Uiso 1 1 calc R . .
C4O C 0.3215(11) 0.4262(6) -0.0352(12) 0.116(12) Uani 1 1 d D . .
H4O H 0.2998 0.4186 -0.0766 0.139 Uiso 1 1 calc R . .
C5O C 0.3735(15) 0.4056(5) -0.0003(9) 0.101(10) Uani 1 1 d D . .
H5O' H 0.3869 0.3859 -0.0182 0.121 Uiso 1 1 calc R . .
C6O C 0.4033(11) 0.4170(4) 0.0633(8) 0.063(6) Uani 1 1 d D . .
H6O' H 0.4379 0.4046 0.0890 0.075 Uiso 1 1 calc R . .
C1P C 0.3817(8) 0.5131(3) 0.3848(7) 0.028(3) Uani 1 1 d . . .
C2P C 0.3141(8) 0.5267(3) 0.3605(7) 0.030(3) Uani 1 1 d . . .
H2P H 0.2842 0.5159 0.3276 0.036 Uiso 1 1 calc R . .
C3P C 0.2899(9) 0.5564(4) 0.3843(9) 0.047(4) Uani 1 1 d . . .
H3P H 0.2448 0.5654 0.3678 0.056 Uiso 1 1 calc R . .
C4P C 0.3368(11) 0.5720(4) 0.4345(9) 0.054(5) Uani 1 1 d . . .
H4P H 0.3223 0.5918 0.4511 0.065 Uiso 1 1 calc R . .
C5P C 0.4027(10) 0.5589(4) 0.4589(8) 0.049(5) Uani 1 1 d . . .
H5P H 0.4322 0.5697 0.4921 0.059 Uiso 1 1 calc R . .
C6P C 0.4260(9) 0.5300(4) 0.4356(8) 0.041(4) Uani 1 1 d . . .
H6P H 0.4711 0.5213 0.4530 0.050 Uiso 1 1 calc R . .
C1Q C 0.5143(7) 0.4819(3) 0.3406(7) 0.030(3) Uani 1 1 d . . .
C2Q C 0.5373(9) 0.5116(4) 0.3132(8) 0.044(4) Uani 1 1 d . . .
H2Q H 0.5018 0.5274 0.3032 0.053 Uiso 1 1 calc R . .
C3Q C 0.6118(10) 0.5169(5) 0.3013(10) 0.063(5) Uani 1 1 d . . .
H3Q H 0.6260 0.5359 0.2806 0.075 Uiso 1 1 calc R . .
C4Q C 0.6656(11) 0.4947(5) 0.3195(10) 0.064(6) Uani 1 1 d . . .
H4Q H 0.7163 0.4992 0.3146 0.077 Uiso 1 1 calc R . .
C5Q C 0.6434(10) 0.4650(4) 0.3460(9) 0.052(5) Uani 1 1 d . . .
H5Q H 0.6788 0.4491 0.3562 0.063 Uiso 1 1 calc R . .
C6Q C 0.5692(8) 0.4599(4) 0.3562(7) 0.036(4) Uani 1 1 d . . .
H6Q H 0.5551 0.4405 0.3749 0.044 Uiso 1 1 calc R . .
C1R C 0.4088(8) 0.4471(4) 0.4209(7) 0.034(4) Uani 1 1 d . . .
C2R C 0.4286(8) 0.4148(4) 0.4077(8) 0.038(4) Uani 1 1 d . . .
H2R H 0.4445 0.4089 0.3644 0.046 Uiso 1 1 calc R . .
C3R C 0.4241(9) 0.3920(4) 0.4594(10) 0.054(5) Uani 1 1 d . . .
H3R H 0.4366 0.3709 0.4505 0.064 Uiso 1 1 calc R . .
C4R C 0.4012(10) 0.4007(5) 0.5240(10) 0.058(5) Uani 1 1 d . . .
H4R H 0.3991 0.3854 0.5587 0.069 Uiso 1 1 calc R . .
C5R C 0.3813(8) 0.4319(4) 0.5373(8) 0.045(4) Uani 1 1 d . . .
H5R H 0.3643 0.4376 0.5803 0.054 Uiso 1 1 calc R . .
C6R C 0.3868(8) 0.4544(3) 0.4866(7) 0.034(3) Uani 1 1 d . . .
H6R H 0.3753 0.4756 0.4968 0.040 Uiso 1 1 calc R . .
C1S C -0.0223(8) 0.4837(4) 0.1612(8) 0.041(4) Uani 1 1 d . . .
C2S C -0.0498(10) 0.5136(4) 0.1812(8) 0.048(4) Uani 1 1 d . . .
H2S H -0.0154 0.5298 0.1917 0.057 Uiso 1 1 calc R . .
C3S C -0.1239(11) 0.5197(6) 0.1858(10) 0.078(7) Uani 1 1 d . . .
H3S H -0.1399 0.5398 0.1998 0.093 Uiso 1 1 calc R . .
C4S C -0.1762(11) 0.4959(7) 0.1694(11) 0.101(10) Uani 1 1 d . . .
H4S H -0.2276 0.5001 0.1711 0.122 Uiso 1 1 calc R . .
C5S C -0.1508(11) 0.4656(7) 0.1503(12) 0.093(8) Uani 1 1 d . . .
H5S H -0.1852 0.4493 0.1406 0.112 Uiso 1 1 calc R . .
C6S C -0.0756(9) 0.4603(4) 0.1462(8) 0.050(4) Uani 1 1 d . . .
H6S H -0.0594 0.4402 0.1327 0.060 Uiso 1 1 calc R . .
C1T C 0.0839(8) 0.4455(4) 0.0919(8) 0.035(4) Uani 1 1 d . . .
C2T C 0.0707(10) 0.4132(3) 0.1114(8) 0.044(4) Uani 1 1 d . . .
H2T H 0.0589 0.4089 0.1567 0.053 Uiso 1 1 calc R . .
C3T C 0.0748(11) 0.3880(4) 0.0651(10) 0.062(5) Uani 1 1 d . . .
H3T H 0.0647 0.3673 0.0793 0.075 Uiso 1 1 calc R . .
C4T C 0.0941(10) 0.3939(4) -0.0023(9) 0.058(5) Uani 1 1 d . . .
H4T H 0.0978 0.3772 -0.0335 0.069 Uiso 1 1 calc R . .
C5T C 0.1080(9) 0.4256(4) -0.0232(9) 0.049(4) Uani 1 1 d . . .
H5T H 0.1198 0.4299 -0.0685 0.059 Uiso 1 1 calc R . .
C6T C 0.1037(8) 0.4509(3) 0.0256(7) 0.032(3) Uani 1 1 d . . .
H6T H 0.1148 0.4716 0.0120 0.039 Uiso 1 1 calc R . .
C1U C 0.1147(7) 0.5126(3) 0.1183(7) 0.027(3) Uani 1 1 d . . .
C2U C 0.0710(8) 0.5296(3) 0.0696(8) 0.036(4) Uani 1 1 d . . .
H2U H 0.0230 0.5225 0.0558 0.044 Uiso 1 1 calc R . .
C3U C 0.1006(10) 0.5575(4) 0.0413(9) 0.053(5) Uani 1 1 d . . .
H3U H 0.0712 0.5690 0.0091 0.064 Uiso 1 1 calc R . .
C4U C 0.1686(9) 0.5678(4) 0.0589(9) 0.051(5) Uani 1 1 d . . .
H4U H 0.1859 0.5867 0.0397 0.062 Uiso 1 1 calc R . .
C5U C 0.2159(9) 0.5508(4) 0.1067(10) 0.050(5) Uani 1 1 d . . .
H5U H 0.2642 0.5581 0.1189 0.060 Uiso 1 1 calc R . .
C6U C 0.1877(8) 0.5223(3) 0.1356(7) 0.034(4) Uani 1 1 d . . .
H6U H 0.2181 0.5102 0.1660 0.041 Uiso 1 1 calc R . .
C1V C 0.0534(13) 0.5226(4) 0.3307(11) 0.139(5) Uiso 1 1 d G . .
C2V C 0.0998(10) 0.5414(6) 0.2916(10) 0.139(5) Uiso 1 1 d G . .
H2V H 0.1377 0.5320 0.2670 0.167 Uiso 1 1 calc R . .
C3V C 0.0897(11) 0.5744(5) 0.2894(10) 0.139(5) Uiso 1 1 d G . .
H3V H 0.1208 0.5870 0.2633 0.167 Uiso 1 1 calc R . .
C4V C 0.0332(13) 0.5885(4) 0.3262(11) 0.139(5) Uiso 1 1 d G . .
H4V H 0.0264 0.6105 0.3248 0.167 Uiso 1 1 calc R . .
C5V C -0.0133(10) 0.5696(6) 0.3653(10) 0.139(5) Uiso 1 1 d G . .
H5V H -0.0512 0.5791 0.3900 0.167 Uiso 1 1 calc R . .
C6V C -0.0032(11) 0.5367(5) 0.3675(10) 0.139(5) Uiso 1 1 d G . .
H6V H -0.0343 0.5241 0.3937 0.167 Uiso 1 1 calc R . .
C1W C -0.0151(9) 0.4571(4) 0.3356(10) 0.113(4) Uiso 1 1 d G . .
C2W C -0.0127(8) 0.4267(5) 0.3068(9) 0.113(4) Uiso 1 1 d G . .
H2W H 0.0311 0.4195 0.2873 0.136 Uiso 1 1 calc R . .
C3W C -0.0758(11) 0.4070(3) 0.3072(9) 0.113(4) Uiso 1 1 d G . .
H3W H -0.0742 0.3867 0.2880 0.136 Uiso 1 1 calc R . .
C4W C -0.1412(9) 0.4178(4) 0.3364(9) 0.113(4) Uiso 1 1 d G . .
H4W H -0.1834 0.4046 0.3367 0.136 Uiso 1 1 calc R . .
C5W C -0.1436(9) 0.4482(5) 0.3652(9) 0.113(4) Uiso 1 1 d G . .
H5W H -0.1874 0.4554 0.3847 0.136 Uiso 1 1 calc R . .
C6W C -0.0805(11) 0.4678(3) 0.3648(9) 0.113(4) Uiso 1 1 d G . .
H6W H -0.0821 0.4882 0.3840 0.136 Uiso 1 1 calc R . .
C1X C 0.1111(10) 0.4750(4) 0.4255(9) 0.053(5) Uiso 1 1 d . . .
C2X C 0.1056(12) 0.4467(5) 0.4597(11) 0.079(6) Uiso 1 1 d . . .
H2X H 0.0726 0.4313 0.4416 0.094 Uiso 1 1 calc R . .
C3X C 0.1514(15) 0.4392(7) 0.5265(14) 0.108(9) Uiso 1 1 d . . .
H3X H 0.1524 0.4196 0.5494 0.130 Uiso 1 1 calc R . .
C4X C 0.1913(12) 0.4663(5) 0.5476(12) 0.077(6) Uiso 1 1 d . . .
H4X H 0.2160 0.4653 0.5909 0.092 Uiso 1 1 calc R . .
C5X C 0.1976(17) 0.4907(8) 0.5169(16) 0.125(10) Uiso 1 1 d . . .
H5X H 0.2316 0.5059 0.5344 0.150 Uiso 1 1 calc R . .
C6X C 0.1568(13) 0.4974(6) 0.4564(12) 0.089(7) Uiso 1 1 d . . .
H6X H 0.1606 0.5175 0.4364 0.107 Uiso 1 1 calc R . .
P9 P -0.3252(3) 0.35026(11) 0.3987(3) 0.0597(14) Uani 1 1 d D . .
F1 F -0.2562(7) 0.3602(3) 0.4457(8) 0.175(9) Uani 1 1 d D . .
F2 F -0.3434(7) 0.3855(2) 0.3843(6) 0.118(5) Uani 1 1 d D . .
F3 F -0.3923(8) 0.3398(3) 0.3526(8) 0.218(12) Uani 1 1 d D . .
F4 F -0.3060(7) 0.31448(19) 0.4148(6) 0.102(5) Uani 1 1 d D . .
F5 F -0.3741(8) 0.3502(3) 0.4621(7) 0.166(9) Uani 1 1 d D . .
F6 F -0.2745(9) 0.3495(3) 0.3368(7) 0.191(11) Uani 1 1 d D . .
P10 P 0.7379(3) 0.60625(12) 0.2544(3) 0.0690(16) Uani 1 1 d D . .
F7 F 0.7006(11) 0.6042(5) 0.3233(7) 0.258(14) Uani 1 1 d D . .
F8 F 0.7413(12) 0.6428(3) 0.2615(10) 0.245(13) Uani 1 1 d D . .
F9 F 0.7784(9) 0.6089(4) 0.1862(7) 0.216(12) Uani 1 1 d D . .
F10 F 0.7374(11) 0.5699(2) 0.2479(12) 0.29(2) Uani 1 1 d D . .
F11 F 0.6619(6) 0.6085(5) 0.2154(8) 0.249(14) Uani 1 1 d D . .
F12 F 0.8167(7) 0.6044(6) 0.2907(11) 0.252(14) Uani 1 1 d D . .
O1S O 0.4051(7) 0.2134(6) 0.1201(8) 0.140(9) Uani 1 1 d . A 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'
O O 0.0106 0.0060 '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'
V V 0.3005 0.5294 '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
_geom_angle_publ_flag
P2 Pt1 P1 100.02(14) . . ?
P2 Pt1 S2 171.15(13) . . ?
P1 Pt1 S2 88.74(13) . . ?
P2 Pt1 S1 93.39(13) . . ?
P1 Pt1 S1 166.59(13) . . ?
S2 Pt1 S1 77.84(12) . . ?
P3 Pt2 P4 98.39(14) . . ?
P3 Pt2 S2 93.40(14) . . ?
P4 Pt2 S2 168.11(13) . . ?
P3 Pt2 S1 170.92(14) . . ?
P4 Pt2 S1 90.28(13) . . ?
S2 Pt2 S1 78.02(12) . . ?
Pt1 S1 Pt2 89.61(12) . . ?
Pt2 S2 Pt1 90.06(12) . . ?
Pt2 S2 V1 82.88(13) . . ?
Pt1 S2 V1 83.66(13) . . ?
O1 V1 O3 111.8(7) . . ?
O1 V1 O2 103.7(7) . . ?
O3 V1 O2 99.1(6) . . ?
O1 V1 S2 99.8(5) . . ?
O3 V1 S2 86.8(5) . . ?
O2 V1 S2 151.4(5) . . ?
C2 O2 V1 129.3(13) . . ?
C3 O3 V1 137.0(14) . . ?
C1A P1 C1C 103.9(7) . . ?
C1A P1 C1B 105.3(7) . . ?
C1C P1 C1B 105.0(7) . . ?
C1A P1 Pt1 111.8(5) . . ?
C1C P1 Pt1 120.8(5) . . ?
C1B P1 Pt1 108.8(5) . . ?
C1D P2 C1F 101.5(7) . . ?
C1D P2 C1E 108.4(7) . . ?
C1F P2 C1E 104.1(7) . . ?
C1D P2 Pt1 114.9(5) . . ?
C1F P2 Pt1 114.5(5) . . ?
C1E P2 Pt1 112.3(5) . . ?
C1G P3 C1I 111.6(7) . . ?
C1G P3 C1H 105.1(7) . . ?
C1I P3 C1H 101.3(6) . . ?
C1G P3 Pt2 109.8(5) . . ?
C1I P3 Pt2 112.9(5) . . ?
C1H P3 Pt2 115.6(4) . . ?
C1K P4 C1L 104.1(7) . . ?
C1K P4 C1J 102.8(7) . . ?
C1L P4 C1J 105.9(7) . . ?
C1K P4 Pt2 120.4(5) . . ?
C1L P4 Pt2 109.9(5) . . ?
C1J P4 Pt2 112.5(5) . . ?
C6A C1A C2A 118.6(13) . . ?
C6A C1A P1 120.9(11) . . ?
C2A C1A P1 120.5(12) . . ?
C3A C2A C1A 120.8(15) . . ?
C4A C3A C2A 119.0(15) . . ?
C5A C4A C3A 121.0(15) . . ?
C4A C5A C6A 119.7(16) . . ?
C1A C6A C5A 120.9(15) . . ?
C2B C1B C6B 121.7(15) . . ?
C2B C1B P1 120.7(12) . . ?
C6B C1B P1 117.6(13) . . ?
C1B C2B C3B 119.5(16) . . ?
C4B C3B C2B 120.1(18) . . ?
C3B C4B C5B 119.3(16) . . ?
C4B C5B C6B 121.0(17) . . ?
C1B C6B C5B 118.4(17) . . ?
C6C C1C C2C 119.2(15) . . ?
C6C C1C P1 122.0(13) . . ?
C2C C1C P1 118.5(12) . . ?
C3C C2C C1C 120.3(16) . . ?
C2C C3C C4C 118.2(16) . . ?
C5C C4C C3C 122.1(18) . . ?
C4C C5C C6C 119.7(19) . . ?
C1C C6C C5C 120.5(18) . . ?
C2D C1D C6D 118.5(15) . . ?
C2D C1D P2 119.8(12) . . ?
C6D C1D P2 121.6(13) . . ?
C1D C2D C3D 117.8(16) . . ?
C4D C3D C2D 123.0(19) . . ?
C3D C4D C5D 120.2(17) . . ?
C6D C5D C4D 119.6(18) . . ?
C5D C6D C1D 120.8(19) . . ?
C6E C1E C2E 117.8(15) . . ?
C6E C1E P2 126.4(13) . . ?
C2E C1E P2 115.7(11) . . ?
C1E C2E C3E 120.3(16) . . ?
C4E C3E C2E 119.3(19) . . ?
C5E C4E C3E 120.5(18) . . ?
C4E C5E C6E 123(2) . . ?
C1E C6E C5E 118.9(19) . . ?
C2F C1F C6F 119.6(15) . . ?
C2F C1F P2 122.7(13) . . ?
C6F C1F P2 116.8(13) . . ?
C1F C2F C3F 119.5(16) . . ?
C2F C3F C4F 115.5(17) . . ?
C5F C4F C3F 120(2) . . ?
C4F C5F C6F 127(2) . . ?
C5F C6F C1F 116.9(19) . . ?
C2G C1G C6G 119.2(16) . . ?
C2G C1G P3 116.4(12) . . ?
C6G C1G P3 124.3(14) . . ?
C1G C2G C3G 119.9(18) . . ?
C4G C3G C2G 125(2) . . ?
C3G C4G C5G 114(2) . . ?
C6G C5G C4G 121(2) . . ?
C1G C6G C5G 121(2) . . ?
C2H C1H C6H 120.0 . . ?
C2H C1H P3 119.6(7) . . ?
C6H C1H P3 120.0(7) . . ?
C3H C2H C1H 120.0 . . ?
C2H C3H C4H 120.0 . . ?
C5H C4H C3H 120.0 . . ?
C6H C5H C4H 120.0 . . ?
C5H C6H C1H 120.0 . . ?
C2I C1I C6I 122.0(16) . . ?
C2I C1I P3 120.4(13) . . ?
C6I C1I P3 117.3(12) . . ?
C1I C2I C3I 114(2) . . ?
C4I C3I C2I 123(3) . . ?
C5I C4I C3I 121(3) . . ?
C4I C5I C6I 121(2) . . ?
C1I C6I C5I 118.4(16) . . ?
C6J C1J C2J 121.8(13) . . ?
C6J C1J P4 119.0(11) . . ?
C2J C1J P4 119.2(11) . . ?
C3J C2J C1J 118.3(15) . . ?
C2J C3J C4J 120.2(15) . . ?
C5J C4J C3J 120.6(16) . . ?
C4J C5J C6J 120.7(16) . . ?
C1J C6J C5J 118.3(14) . . ?
C6K C1K C2K 118.4(15) . . ?
C6K C1K P4 120.5(12) . . ?
C2K C1K P4 121.1(13) . . ?
C3K C2K C1K 120.2(17) . . ?
C2K C3K C4K 120.6(17) . . ?
C5K C4K C3K 118.2(17) . . ?
C4K C5K C6K 119.6(17) . . ?
C1K C6K C5K 122.9(15) . . ?
C2L C1L C6L 119.6(15) . . ?
C2L C1L P4 122.4(11) . . ?
C6L C1L P4 117.9(13) . . ?
C1L C2L C3L 118.4(16) . . ?
C4L C3L C2L 121.7(18) . . ?
C5L C4L C3L 119.3(17) . . ?
C4L C5L C6L 123.1(18) . . ?
C1L C6L C5L 117.8(17) . . ?
P5 Pt3 P6 99.77(14) . . ?
P5 Pt3 S3 170.86(13) . . ?
P6 Pt3 S3 88.78(12) . . ?
P5 Pt3 V2 121.90(11) . . ?
P6 Pt3 V2 119.85(10) . . ?
S3 Pt3 V2 49.87(10) . . ?
P8 Pt4 P7 99.86(14) . . ?
P8 Pt4 S4 169.77(14) . . ?
P7 Pt4 S4 89.56(13) . . ?
P8 Pt4 S3 92.10(14) . . ?
P7 Pt4 S3 167.85(13) . . ?
S4 Pt4 S3 78.67(12) . . ?
Pt4 S3 Pt3 89.58(12) . . ?
Pt4 S3 V2 83.94(13) . . ?
Pt3 S3 V2 82.63(13) . . ?
Pt4 S4 V2 82.75(13) . . ?
O4 V2 O6 111.9(9) . . ?
O4 V2 O5 102.5(7) . . ?
O6 V2 O5 98.7(7) . . ?
O4 V2 S3 106.1(6) . . ?
O6 V2 S3 140.3(6) . . ?
O5 V2 S3 83.8(4) . . ?
O4 V2 S4 101.3(5) . . ?
O6 V2 S4 87.6(4) . . ?
O5 V2 S4 150.9(5) . . ?
S3 V2 S4 73.75(13) . . ?
O4 V2 Pt3 138.8(5) . . ?
O6 V2 Pt3 94.4(6) . . ?
O5 V2 Pt3 104.2(5) . . ?
S3 V2 Pt3 47.50(9) . . ?
S4 V2 Pt3 46.88(9) . . ?
C5 O5 V2 131.4(13) . . ?
C6 O6 V2 139.5(16) . . ?
C1N P5 C1O 101.4(7) . . ?
C1N P5 C1M 109.6(7) . . ?
C1O P5 C1M 103.7(7) . . ?
C1N P5 Pt3 116.9(5) . . ?
C1O P5 Pt3 114.8(5) . . ?
C1M P5 Pt3 109.4(5) . . ?
C1R P6 C1P 105.3(7) . . ?
C1R P6 C1Q 105.1(6) . . ?
C1P P6 C1Q 103.0(6) . . ?
C1R P6 Pt3 109.1(5) . . ?
C1P P6 Pt3 111.8(5) . . ?
C1Q P6 Pt3 121.2(5) . . ?
C1T P7 C1S 103.5(7) . . ?
C1T P7 C1U 105.8(7) . . ?
C1S P7 C1U 103.3(6) . . ?
C1T P7 Pt4 111.1(5) . . ?
C1S P7 Pt4 121.0(5) . . ?
C1U P7 Pt4 111.0(4) . . ?
C1X P8 C1V 104.1(9) . . ?
C1X P8 C1W 104.5(8) . . ?
C1V P8 C1W 110.8(10) . . ?
C1X P8 Pt4 114.0(6) . . ?
C1V P8 Pt4 112.1(8) . . ?
C1W P8 Pt4 110.8(7) . . ?
C6M C1M C2M 121.7(15) . . ?
C6M C1M P5 116.2(12) . . ?
C2M C1M P5 121.7(13) . . ?
C3M C2M C1M 117.8(17) . . ?
C2M C3M C4M 120.3(17) . . ?
C5M C4M C3M 119.9(17) . . ?
C6M C5M C4M 121.2(19) . . ?
C5M C6M C1M 118.9(16) . . ?
C6N C1N C2N 119.2(14) . . ?
C6N C1N P5 121.2(12) . . ?
C2N C1N P5 119.6(11) . . ?
C3N C2N C1N 119.7(15) . . ?
C4N C3N C2N 118.1(15) . . ?
C5N C4N C3N 120.4(16) . . ?
C6N C5N C4N 119.7(17) . . ?
C1N C6N C5N 122.1(15) . . ?
C6O C1O C2O 120.6(18) . . ?
C6O C1O P5 123.0(13) . . ?
C2O C1O P5 116.5(12) . . ?
C3O C2O C1O 121(2) . . ?
C4O C3O C2O 114(2) . . ?
C3O C4O C5O 128(2) . . ?
C6O C5O C4O 115(2) . . ?
C5O C6O C1O 120.8(18) . . ?
C2P C1P C6P 118.2(13) . . ?
C2P C1P P6 120.8(10) . . ?
C6P C1P P6 120.9(11) . . ?
C1P C2P C3P 121.7(14) . . ?
C2P C3P C4P 117.3(15) . . ?
C5P C4P C3P 121.5(15) . . ?
C4P C5P C6P 121.0(15) . . ?
C5P C6P C1P 120.3(15) . . ?
C6Q C1Q C2Q 117.3(14) . . ?
C6Q C1Q P6 124.3(12) . . ?
C2Q C1Q P6 118.4(11) . . ?
C3Q C2Q C1Q 120.1(16) . . ?
C4Q C3Q C2Q 120.9(18) . . ?
C3Q C4Q C5Q 119.4(17) . . ?
C6Q C5Q C4Q 118.7(17) . . ?
C5Q C6Q C1Q 123.4(16) . . ?
C6R C1R C2R 117.2(13) . . ?
C6R C1R P6 125.3(12) . . ?
C2R C1R P6 117.5(11) . . ?
C3R C2R C1R 120.1(15) . . ?
C4R C3R C2R 120.1(16) . . ?
C5R C4R C3R 120.3(16) . . ?
C6R C5R C4R 119.5(16) . . ?
C5R C6R C1R 122.7(15) . . ?
C6S C1S C2S 116.4(15) . . ?
C6S C1S P7 122.1(13) . . ?
C2S C1S P7 121.5(13) . . ?
C3S C2S C1S 122.8(19) . . ?
C2S C3S C4S 119(2) . . ?
C3S C4S C5S 119.3(19) . . ?
C6S C5S C4S 119(2) . . ?
C5S C6S C1S 122.5(19) . . ?
C6T C1T C2T 117.3(14) . . ?
C6T C1T P7 124.5(12) . . ?
C2T C1T P7 118.1(12) . . ?
C3T C2T C1T 122.4(15) . . ?
C4T C3T C2T 119.6(16) . . ?
C3T C4T C5T 119.5(15) . . ?
C4T C5T C6T 119.5(16) . . ?
C1T C6T C5T 121.6(14) . . ?
C6U C1U C2U 120.0(13) . . ?
C6U C1U P7 119.0(10) . . ?
C2U C1U P7 121.0(10) . . ?
C1U C2U C3U 119.0(14) . . ?
C4U C3U C2U 122.0(16) . . ?
C3U C4U C5U 121.0(16) . . ?
C4U C5U C6U 118.2(15) . . ?
C1U C6U C5U 119.7(14) . . ?
C2V C1V C6V 120.0 . . ?
C2V C1V P8 119.0(15) . . ?
C6V C1V P8 120.8(15) . . ?
C1V C2V C3V 120.0 . . ?
C4V C3V C2V 120.0 . . ?
C3V C4V C5V 120.0 . . ?
C6V C5V C4V 120.0 . . ?
C5V C6V C1V 120.0 . . ?
C2W C1W C6W 120.0 . . ?
C2W C1W P8 116.6(12) . . ?
C6W C1W P8 123.2(12) . . ?
C1W C2W C3W 120.0 . . ?
C4W C3W C2W 120.0 . . ?
C5W C4W C3W 120.0 . . ?
C4W C5W C6W 120.0 . . ?
C5W C6W C1W 120.0 . . ?
C6X C1X C2X 116(2) . . ?
C6X C1X P8 121.9(16) . . ?
C2X C1X P8 121.4(16) . . ?
C1X C2X C3X 123(2) . . ?
C4X C3X C2X 109(2) . . ?
C5X C4X C3X 128(3) . . ?
C4X C5X C6X 123(3) . . ?
C1X C6X C5X 121(3) . . ?
F3 P9 F2 91.1(6) . . ?
F3 P9 F6 90.4(7) . . ?
F2 P9 F6 90.3(6) . . ?
F3 P9 F5 90.7(7) . . ?
F2 P9 F5 91.4(6) . . ?
F6 P9 F5 177.9(7) . . ?
F3 P9 F1 178.7(7) . . ?
F2 P9 F1 90.2(6) . . ?
F6 P9 F1 89.3(7) . . ?
F5 P9 F1 89.5(7) . . ?
F3 P9 F4 89.9(6) . . ?
F2 P9 F4 178.9(7) . . ?
F6 P9 F4 90.3(6) . . ?
F5 P9 F4 87.9(5) . . ?
F1 P9 F4 88.8(6) . . ?
F7 P10 F11 91.6(7) . . ?
F7 P10 F10 90.8(7) . . ?
F11 P10 F10 91.1(8) . . ?
F7 P10 F9 177.8(9) . . ?
F11 P10 F9 90.4(7) . . ?
F10 P10 F9 90.1(7) . . ?
F7 P10 F8 89.8(7) . . ?
F11 P10 F8 90.7(8) . . ?
F10 P10 F8 178.1(10) . . ?
F9 P10 F8 89.2(7) . . ?
F7 P10 F12 91.2(8) . . ?
F11 P10 F12 177.2(10) . . ?
F10 P10 F12 89.4(12) . . ?
F9 P10 F12 86.8(10) . . ?
F8 P10 F12 88.8(8) . . ?
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 P2 2.297(4) . ?
Pt1 P1 2.307(4) . ?
Pt1 S2 2.349(3) . ?
Pt1 S1 2.351(4) . ?
Pt2 P3 2.277(4) . ?
Pt2 P4 2.301(4) . ?
Pt2 S2 2.338(4) . ?
Pt2 S1 2.354(3) . ?
S2 V1 2.476(4) . ?
V1 O1 1.617(13) . ?
V1 O3 1.748(13) . ?
V1 O2 1.813(12) . ?
O2 C2 1.44(2) . ?
O3 C3 1.45(2) . ?
P1 C1A 1.832(14) . ?
P1 C1C 1.848(15) . ?
P1 C1B 1.852(15) . ?
P2 C1D 1.810(14) . ?
P2 C1F 1.812(16) . ?
P2 C1E 1.840(15) . ?
P3 C1G 1.849(16) . ?
P3 C1I 1.860(15) . ?
P3 C1H 1.878(9) . ?
P4 C1K 1.840(15) . ?
P4 C1L 1.857(15) . ?
P4 C1J 1.858(14) . ?
C1A C6A 1.37(2) . ?
C1A C2A 1.40(2) . ?
C2A C3A 1.38(2) . ?
C3A C4A 1.38(2) . ?
C4A C5A 1.37(2) . ?
C5A C6A 1.38(2) . ?
C1B C2B 1.35(2) . ?
C1B C6B 1.36(2) . ?
C2B C3B 1.42(2) . ?
C3B C4B 1.36(2) . ?
C4B C5B 1.37(2) . ?
C5B C6B 1.41(2) . ?
C1C C6C 1.37(2) . ?
C1C C2C 1.42(2) . ?
C2C C3C 1.37(2) . ?
C3C C4C 1.41(3) . ?
C4C C5C 1.34(3) . ?
C5C C6C 1.40(2) . ?
C1D C2D 1.40(2) . ?
C1D C6D 1.42(2) . ?
C2D C3D 1.43(2) . ?
C3D C4D 1.31(3) . ?
C4D C5D 1.41(3) . ?
C5D C6D 1.38(3) . ?
C1E C6E 1.38(2) . ?
C1E C2E 1.39(2) . ?
C2E C3E 1.42(2) . ?
C3E C4E 1.34(3) . ?
C4E C5E 1.31(3) . ?
C5E C6E 1.39(2) . ?
C1F C2F 1.41(2) . ?
C1F C6F 1.44(2) . ?
C2F C3F 1.43(2) . ?
C3F C4F 1.48(3) . ?
C4F C5F 1.26(3) . ?
C5F C6F 1.33(2) . ?
C1G C2G 1.32(2) . ?
C1G C6G 1.36(2) . ?
C2G C3G 1.38(2) . ?
C3G C4G 1.35(3) . ?
C4G C5G 1.41(3) . ?
C5G C6G 1.40(3) . ?
C1H C2H 1.3900 . ?
C1H C6H 1.3900 . ?
C2H C3H 1.3900 . ?
C3H C4H 1.3900 . ?
C4H C5H 1.3900 . ?
C5H C6H 1.3900 . ?
C1I C2I 1.38(2) . ?
C1I C6I 1.39(2) . ?
C2I C3I 1.44(3) . ?
C3I C4I 1.33(3) . ?
C4I C5I 1.31(3) . ?
C5I C6I 1.41(2) . ?
C1J C6J 1.39(2) . ?
C1J C2J 1.39(2) . ?
C2J C3J 1.39(2) . ?
C3J C4J 1.40(2) . ?
C4J C5J 1.36(2) . ?
C5J C6J 1.40(2) . ?
C1K C6K 1.38(2) . ?
C1K C2K 1.40(2) . ?
C2K C3K 1.39(2) . ?
C3K C4K 1.45(3) . ?
C4K C5K 1.38(3) . ?
C5K C6K 1.40(2) . ?
C1L C2L 1.37(2) . ?
C1L C6L 1.39(2) . ?
C2L C3L 1.39(2) . ?
C3L C4L 1.36(3) . ?
C4L C5L 1.28(3) . ?
C5L C6L 1.40(2) . ?
Pt3 P5 2.267(4) . ?
Pt3 P6 2.307(4) . ?
Pt3 S3 2.359(4) . ?
Pt3 V2 3.173(3) . ?
Pt4 P8 2.286(4) . ?
Pt4 P7 2.301(4) . ?
Pt4 S4 2.342(4) . ?
Pt4 S3 2.342(4) . ?
S3 V2 2.447(4) . ?
S4 V2 2.501(5) . ?
V2 O4 1.602(14) . ?
V2 O6 1.726(14) . ?
V2 O5 1.826(13) . ?
O5 C5 1.38(2) . ?
O6 C6 1.42(2) . ?
P5 C1N 1.794(14) . ?
P5 C1O 1.825(18) . ?
P5 C1M 1.855(16) . ?
P6 C1R 1.804(14) . ?
P6 C1P 1.824(14) . ?
P6 C1Q 1.828(13) . ?
P7 C1T 1.804(15) . ?
P7 C1S 1.830(15) . ?
P7 C1U 1.833(14) . ?
P8 C1X 1.811(18) . ?
P8 C1V 1.823(16) . ?
P8 C1W 1.824(14) . ?
C1M C6M 1.39(2) . ?
C1M C2M 1.41(2) . ?
C2M C3M 1.40(2) . ?
C3M C4M 1.40(3) . ?
C4M C5M 1.38(3) . ?
C5M C6M 1.38(2) . ?
C1N C6N 1.36(2) . ?
C1N C2N 1.42(2) . ?
C2N C3N 1.42(2) . ?
C3N C4N 1.41(2) . ?
C4N C5N 1.38(2) . ?
C5N C6N 1.38(2) . ?
C1O C6O 1.417(17) . ?
C1O C2O 1.420(18) . ?
C2O C3O 1.42(2) . ?
C3O C4O 1.40(2) . ?
C4O C5O 1.41(2) . ?
C5O C6O 1.40(2) . ?
C1P C2P 1.392(19) . ?
C1P C6P 1.419(19) . ?
C2P C3P 1.40(2) . ?
C3P C4P 1.41(2) . ?
C4P C5P 1.36(2) . ?
C5P C6P 1.36(2) . ?
C1Q C6Q 1.36(2) . ?
C1Q C2Q 1.42(2) . ?
C2Q C3Q 1.37(2) . ?
C3Q C4Q 1.37(3) . ?
C4Q C5Q 1.41(2) . ?
C5Q C6Q 1.36(2) . ?
C1R C6R 1.38(2) . ?
C1R C2R 1.42(2) . ?
C2R C3R 1.39(2) . ?
C3R C4R 1.38(2) . ?
C4R C5R 1.38(2) . ?
C5R C6R 1.368(19) . ?
C1S C6S 1.38(2) . ?
C1S C2S 1.40(2) . ?
C2S C3S 1.35(2) . ?
C3S C4S 1.39(3) . ?
C4S C5S 1.40(3) . ?
C5S C6S 1.36(2) . ?
C1T C6T 1.37(2) . ?
C1T C2T 1.42(2) . ?
C2T C3T 1.39(2) . ?
C3T C4T 1.39(2) . ?
C4T C5T 1.41(2) . ?
C5T C6T 1.42(2) . ?
C1U C6U 1.386(19) . ?
C1U C2U 1.390(18) . ?
C2U C3U 1.40(2) . ?
C3U C4U 1.31(2) . ?
C4U C5U 1.41(2) . ?
C5U C6U 1.42(2) . ?
C1V C2V 1.3900 . ?
C1V C6V 1.3900 . ?
C2V C3V 1.3900 . ?
C3V C4V 1.3900 . ?
C4V C5V 1.3900 . ?
C5V C6V 1.3900 . ?
C1W C2W 1.3900 . ?
C1W C6W 1.3900 . ?
C2W C3W 1.3900 . ?
C3W C4W 1.3900 . ?
C4W C5W 1.3900 . ?
C5W C6W 1.3900 . ?
C1X C6X 1.36(3) . ?
C1X C2X 1.36(3) . ?
C2X C3X 1.53(3) . ?
C3X C4X 1.39(3) . ?
C4X C5X 1.19(3) . ?
C5X C6X 1.38(3) . ?
P9 F3 1.520(9) . ?
P9 F2 1.531(8) . ?
P9 F6 1.532(9) . ?
P9 F5 1.537(9) . ?
P9 F1 1.549(9) . ?
P9 F4 1.564(8) . ?
P10 F7 1.520(9) . ?
P10 F11 1.520(10) . ?
P10 F10 1.525(10) . ?
P10 F9 1.538(10) . ?
P10 F8 1.538(10) . ?
P10 F12 1.539(10) . ?
