#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:21:36 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301847 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/11/7011137.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_7011137
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            'C72 H60 N2 O8 P4 Pt2 S2 U'
_chemical_formula_weight         1897.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 115.2910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5463(9)
_cell_length_b                   14.2378(6)
_cell_length_c                   23.8747(10)
_cell_measurement_reflns_used    6710
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.6
_cell_measurement_theta_min      2.3
_cell_volume                     6929.4(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      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0659
_diffrn_reflns_av_sigmaI/netI    0.0870
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            39879
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    6.567
_exptl_absorpt_correction_T_max  0.5454
_exptl_absorpt_correction_T_min  0.4493
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'long rod cut'
_exptl_crystal_F_000             3640
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.306
_refine_diff_density_min         -1.422
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.857
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         12198
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0352
_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)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0484
_reflns_number_gt                8557
_reflns_number_total             12198
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107939p.txt
_cod_data_source_block           1141
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7011137
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
U1 U 0.267960(13) 0.128568(18) 0.131779(13) 0.03884(8) Uani 1 1 d . . .
Pt1 Pt 0.242500(12) 0.314054(16) 0.219036(12) 0.02944(7) Uani 1 1 d . . .
Pt2 Pt 0.269876(12) 0.104669(16) 0.284202(12) 0.02732(7) Uani 1 1 d . . .
S1 S 0.33045(7) 0.20896(10) 0.25384(8) 0.0305(4) Uani 1 1 d . . .
S2 S 0.18756(7) 0.16973(10) 0.19489(7) 0.0309(4) Uani 1 1 d . . .
P1 P 0.31474(8) 0.43823(11) 0.25794(8) 0.0339(4) Uani 1 1 d . . .
P2 P 0.14551(8) 0.39435(12) 0.17838(9) 0.0376(5) Uani 1 1 d . . .
P3 P 0.19144(8) 0.01846(11) 0.29920(8) 0.0342(4) Uani 1 1 d . . .
P4 P 0.36115(8) 0.05730(11) 0.36783(8) 0.0321(4) Uani 1 1 d . . .
O1 O 0.2528(2) 0.2391(3) 0.0970(2) 0.0517(13) Uani 1 1 d . . .
O2 O 0.2837(2) 0.0143(3) 0.1605(2) 0.0497(13) Uani 1 1 d . . .
N1 N 0.3892(3) 0.1335(4) 0.1143(3) 0.0583(19) Uani 1 1 d . . .
O3 O 0.3368(3) 0.0994(3) 0.0746(2) 0.0640(16) Uani 1 1 d . . .
O4 O 0.3878(2) 0.1584(3) 0.1647(2) 0.0638(16) Uani 1 1 d . . .
O5 O 0.4376(3) 0.1419(3) 0.1046(3) 0.0787(19) Uani 1 1 d . . .
N2 N 0.1576(4) 0.0557(6) 0.0218(4) 0.087(2) Uani 1 1 d . . .
O6 O 0.2150(3) 0.0556(4) 0.0259(2) 0.0826(19) Uani 1 1 d . . .
O7 O 0.1505(2) 0.0890(4) 0.0666(2) 0.0738(17) Uani 1 1 d . . .
O8 O 0.1123(3) 0.0209(6) -0.0231(3) 0.152(3) Uani 1 1 d . . .
C1A C 0.2932(3) 0.5522(4) 0.2183(3) 0.0369(17) Uani 1 1 d D . .
C2A C 0.2414(3) 0.6048(4) 0.2189(3) 0.0424(17) Uani 1 1 d D . .
H2A H 0.2206 0.5847 0.2431 0.051 Uiso 1 1 calc R . .
C3A C 0.2203(3) 0.6854(5) 0.1848(3) 0.055(2) Uani 1 1 d D . .
H3A H 0.1855 0.7195 0.1856 0.066 Uiso 1 1 calc R . .
C4A C 0.2513(4) 0.7153(5) 0.1492(4) 0.068(2) Uani 1 1 d D . .
H4A H 0.2373 0.7697 0.1256 0.081 Uiso 1 1 calc R . .
C5A C 0.3018(4) 0.6660(5) 0.1486(3) 0.063(2) Uani 1 1 d D . .
H5A H 0.3222 0.6868 0.1243 0.076 Uiso 1 1 calc R . .
C6A C 0.3241(3) 0.5855(4) 0.1832(3) 0.051(2) Uani 1 1 d D . .
H6A H 0.3600 0.5535 0.1829 0.061 Uiso 1 1 calc R . .
C1B C 0.3957(3) 0.4184(4) 0.2617(3) 0.0365(17) Uani 1 1 d D . .
C2B C 0.4521(4) 0.4542(4) 0.3086(4) 0.062(2) Uani 1 1 d D . .
H2B H 0.4498 0.4854 0.3418 0.075 Uiso 1 1 calc R . .
C3B C 0.5124(4) 0.4435(5) 0.3059(4) 0.078(3) Uani 1 1 d D . .
H3B H 0.5500 0.4685 0.3373 0.094 Uiso 1 1 calc R . .
C4B C 0.5171(4) 0.3977(6) 0.2589(4) 0.079(3) Uani 1 1 d D . .
H4B H 0.5577 0.3916 0.2577 0.094 Uiso 1 1 calc R . .
C5B C 0.4630(4) 0.3604(5) 0.2131(4) 0.066(3) Uani 1 1 d D . .
H5B H 0.4665 0.3284 0.1807 0.079 Uiso 1 1 calc R . .
C6B C 0.4020(3) 0.3693(4) 0.2140(3) 0.0430(18) Uani 1 1 d D . .
H6B H 0.3653 0.3424 0.1826 0.052 Uiso 1 1 calc R . .
C1C C 0.3324(3) 0.4642(4) 0.3375(3) 0.0350(17) Uani 1 1 d D . .
C2C C 0.3437(3) 0.5541(4) 0.3620(3) 0.050(2) Uani 1 1 d D . .
H2C H 0.3386 0.6052 0.3361 0.060 Uiso 1 1 calc R . .
C3C C 0.3624(4) 0.5686(5) 0.4240(3) 0.063(2) Uani 1 1 d D . .
H3C H 0.3705 0.6293 0.4398 0.076 Uiso 1 1 calc R . .
C4C C 0.3692(4) 0.4958(5) 0.4625(4) 0.076(3) Uani 1 1 d D . .
H4C H 0.3816 0.5064 0.5044 0.092 Uiso 1 1 calc R . .
C5C C 0.3579(4) 0.4063(5) 0.4395(4) 0.086(3) Uani 1 1 d D . .
H5C H 0.3624 0.3560 0.4659 0.103 Uiso 1 1 calc R . .
C6C C 0.3400(4) 0.3905(5) 0.3779(3) 0.063(2) Uani 1 1 d D . .
H6C H 0.3329 0.3293 0.3629 0.076 Uiso 1 1 calc R . .
C1D C 0.1347(3) 0.4682(4) 0.1119(3) 0.0431(19) Uani 1 1 d D . .
C2D C 0.1819(3) 0.4642(4) 0.0898(3) 0.052(2) Uani 1 1 d D . .
H2D H 0.2180 0.4249 0.1087 0.063 Uiso 1 1 calc R . .
C3D C 0.1757(4) 0.5191(5) 0.0389(4) 0.073(3) Uani 1 1 d D . .
H3D H 0.2080 0.5167 0.0245 0.087 Uiso 1 1 calc R . .
C4D C 0.1230(5) 0.5757(6) 0.0107(4) 0.082(3) Uani 1 1 d D . .
H4D H 0.1196 0.6130 -0.0225 0.099 Uiso 1 1 calc R . .
C5D C 0.0753(4) 0.5780(6) 0.0309(4) 0.089(3) Uani 1 1 d D . .
H5D H 0.0391 0.6169 0.0114 0.106 Uiso 1 1 calc R . .
C6D C 0.0799(4) 0.5227(5) 0.0804(4) 0.078(3) Uani 1 1 d D . .
H6D H 0.0458 0.5225 0.0925 0.093 Uiso 1 1 calc R . .
C1E C 0.0710(3) 0.3237(4) 0.1443(3) 0.0409(18) Uani 1 1 d D . .
C2E C 0.0624(3) 0.2680(4) 0.0942(3) 0.054(2) Uani 1 1 d D . .
H2E H 0.0941 0.2677 0.0790 0.065 Uiso 1 1 calc R . .
C3E C 0.0066(4) 0.2121(5) 0.0659(4) 0.071(3) Uani 1 1 d D . .
H3E H 0.0016 0.1745 0.0323 0.086 Uiso 1 1 calc R . .
C4E C -0.0399(5) 0.2122(6) 0.0872(5) 0.089(3) Uani 1 1 d D . .
H4E H -0.0767 0.1743 0.0685 0.107 Uiso 1 1 calc R . .
C5E C -0.0332(4) 0.2672(6) 0.1355(4) 0.077(3) Uani 1 1 d D . .
H5E H -0.0661 0.2677 0.1491 0.092 Uiso 1 1 calc R . .
C6E C 0.0225(3) 0.3238(5) 0.1657(4) 0.064(2) Uani 1 1 d D . .
H6E H 0.0269 0.3608 0.1993 0.077 Uiso 1 1 calc R . .
C1F C 0.1325(3) 0.4639(4) 0.2364(4) 0.0444(19) Uani 1 1 d D . .
C2F C 0.0885(4) 0.5369(5) 0.2232(4) 0.086(3) Uani 1 1 d D . .
H2F H 0.0638 0.5550 0.1823 0.104 Uiso 1 1 calc R . .
C3F C 0.0809(5) 0.5833(7) 0.2706(6) 0.107(4) Uani 1 1 d D . .
H3F H 0.0517 0.6333 0.2616 0.128 Uiso 1 1 calc R . .
C4F C 0.1158(5) 0.5561(7) 0.3297(5) 0.097(4) Uani 1 1 d D . .
H4F H 0.1103 0.5878 0.3612 0.117 Uiso 1 1 calc R . .
C5F C 0.1593(4) 0.4832(6) 0.3446(4) 0.081(3) Uani 1 1 d D . .
H5F H 0.1828 0.4649 0.3856 0.097 Uiso 1 1 calc R . .
C6F C 0.1678(4) 0.4368(4) 0.2974(4) 0.055(2) Uani 1 1 d D . .
H6F H 0.1975 0.3873 0.3068 0.066 Uiso 1 1 calc R . .
C1G C 0.1307(3) -0.0265(4) 0.2267(3) 0.0407(18) Uani 1 1 d D . .
C2G C 0.1503(3) -0.0593(4) 0.1828(3) 0.0439(19) Uani 1 1 d D . .
H2G H 0.1945 -0.0571 0.1911 0.053 Uiso 1 1 calc R . .
C3G C 0.1059(4) -0.0954(5) 0.1269(4) 0.064(2) Uani 1 1 d D . .
H3G H 0.1201 -0.1186 0.0983 0.077 Uiso 1 1 calc R . .
C4G C 0.0412(4) -0.0964(6) 0.1142(4) 0.093(3) Uani 1 1 d D . .
H4G H 0.0110 -0.1206 0.0767 0.112 Uiso 1 1 calc R . .
C5G C 0.0202(4) -0.0627(7) 0.1553(4) 0.109(4) Uani 1 1 d D . .
H5G H -0.0243 -0.0621 0.1457 0.131 Uiso 1 1 calc R . .
C6G C 0.0651(4) -0.0293(5) 0.2117(4) 0.074(3) Uani 1 1 d D . .
H6G H 0.0503 -0.0081 0.2403 0.089 Uiso 1 1 calc R . .
C1H C 0.1453(3) 0.0873(4) 0.3324(3) 0.0376(18) Uani 1 1 d D . .
C2H C 0.1411(3) 0.1810(5) 0.3241(4) 0.077(3) Uani 1 1 d D . .
H2H H 0.1605 0.2095 0.3011 0.093 Uiso 1 1 calc R . .
C3H C 0.1079(5) 0.2351(5) 0.3497(5) 0.119(4) Uani 1 1 d D . .
H3H H 0.1062 0.2999 0.3448 0.142 Uiso 1 1 calc R . .
C4H C 0.0778(4) 0.1942(6) 0.3819(4) 0.091(3) Uani 1 1 d D . .
H4H H 0.0552 0.2306 0.3987 0.109 Uiso 1 1 calc R . .
C5H C 0.0811(4) 0.1011(6) 0.3893(4) 0.069(3) Uani 1 1 d D . .
H5H H 0.0603 0.0727 0.4112 0.082 Uiso 1 1 calc R . .
C6H C 0.1148(3) 0.0469(4) 0.3650(3) 0.049(2) Uani 1 1 d D . .
H6H H 0.1168 -0.0178 0.3708 0.059 Uiso 1 1 calc R . .
C1I C 0.2151(3) -0.0868(4) 0.3495(3) 0.0359(18) Uani 1 1 d D . .
C2I C 0.2074(3) -0.1748(5) 0.3234(3) 0.055(2) Uani 1 1 d D . .
H2I H 0.1899 -0.1813 0.2806 0.066 Uiso 1 1 calc R . .
C3I C 0.2256(4) -0.2532(5) 0.3607(4) 0.078(3) Uani 1 1 d D . .
H3I H 0.2213 -0.3123 0.3428 0.093 Uiso 1 1 calc R . .
C4I C 0.2499(4) -0.2460(5) 0.4233(4) 0.080(3) Uani 1 1 d D . .
H4I H 0.2619 -0.2993 0.4482 0.096 Uiso 1 1 calc R . .
C5I C 0.2562(4) -0.1598(5) 0.4486(4) 0.066(2) Uani 1 1 d D . .
H5I H 0.2724 -0.1538 0.4914 0.079 Uiso 1 1 calc R . .
C6I C 0.2389(3) -0.0807(5) 0.4121(3) 0.049(2) Uani 1 1 d D . .
H6I H 0.2435 -0.0220 0.4306 0.059 Uiso 1 1 calc R . .
C1J C 0.4359(3) 0.1221(4) 0.3810(3) 0.0402(18) Uani 1 1 d D . .
C2J C 0.4644(3) 0.1078(4) 0.3402(3) 0.051(2) Uani 1 1 d D . .
H2J H 0.4475 0.0626 0.3092 0.061 Uiso 1 1 calc R . .
C3J C 0.5181(4) 0.1615(6) 0.3460(4) 0.071(3) Uani 1 1 d D . .
H3J H 0.5370 0.1527 0.3186 0.086 Uiso 1 1 calc R . .
C4J C 0.5433(4) 0.2267(6) 0.3917(5) 0.088(3) Uani 1 1 d D . .
H4J H 0.5798 0.2615 0.3958 0.106 Uiso 1 1 calc R . .
C5J C 0.5157(4) 0.2414(6) 0.4312(5) 0.097(3) Uani 1 1 d D . .
H5J H 0.5330 0.2868 0.4620 0.116 Uiso 1 1 calc R . .
C6J C 0.4623(3) 0.1895(5) 0.4260(3) 0.061(2) Uani 1 1 d D . .
H6J H 0.4436 0.2002 0.4535 0.073 Uiso 1 1 calc R . .
C1K C 0.3872(3) -0.0617(4) 0.3639(3) 0.0327(16) Uani 1 1 d D . .
C2K C 0.3503(3) -0.1164(4) 0.3137(3) 0.0399(18) Uani 1 1 d D . .
H2K H 0.3110 -0.0929 0.2837 0.048 Uiso 1 1 calc R . .
C3K C 0.3702(3) -0.2051(5) 0.3069(4) 0.057(2) Uani 1 1 d D . .
H3K H 0.3444 -0.2417 0.2730 0.068 Uiso 1 1 calc R . .
C4K C 0.4287(3) -0.2392(4) 0.3508(4) 0.052(2) Uani 1 1 d D . .
H4K H 0.4427 -0.2991 0.3466 0.062 Uiso 1 1 calc R . .
C5K C 0.4662(3) -0.1847(5) 0.4007(3) 0.054(2) Uani 1 1 d D . .
H5K H 0.5058 -0.2079 0.4301 0.065 Uiso 1 1 calc R . .
C6K C 0.4462(3) -0.0966(4) 0.4080(3) 0.0454(19) Uani 1 1 d D . .
H6K H 0.4719 -0.0603 0.4421 0.054 Uiso 1 1 calc R . .
C1L C 0.3539(3) 0.0735(4) 0.4407(3) 0.0359(17) Uani 1 1 d D . .
C2L C 0.3145(3) 0.1472(4) 0.4415(3) 0.048(2) Uani 1 1 d D . .
H2L H 0.2944 0.1852 0.4067 0.058 Uiso 1 1 calc R . .
C3L C 0.3051(4) 0.1641(5) 0.4934(4) 0.063(2) Uani 1 1 d D . .
H3L H 0.2791 0.2144 0.4941 0.075 Uiso 1 1 calc R . .
C4L C 0.3338(4) 0.1072(6) 0.5448(4) 0.072(3) Uani 1 1 d D . .
H4L H 0.3262 0.1178 0.5797 0.086 Uiso 1 1 calc R . .
C5L C 0.3734(4) 0.0351(5) 0.5440(3) 0.067(2) Uani 1 1 d D . .
H5L H 0.3942 -0.0022 0.5789 0.081 Uiso 1 1 calc R . .
C6L C 0.3827(3) 0.0177(5) 0.4917(3) 0.052(2) Uani 1 1 d D . .
H6L H 0.4089 -0.0325 0.4911 0.062 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
U U -9.6767 9.6646 '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
O2 U1 O1 174.74(19) . . ?
O2 U1 O7 91.03(19) . . ?
O1 U1 O7 88.1(2) . . ?
O2 U1 O3 89.45(17) . . ?
O1 U1 O3 86.03(17) . . ?
O7 U1 O3 111.31(17) . . ?
O2 U1 O4 91.38(18) . . ?
O1 U1 O4 87.81(18) . . ?
O7 U1 O4 161.46(16) . . ?
O3 U1 O4 50.34(15) . . ?
O2 U1 O6 86.5(2) . . ?
O1 U1 O6 88.93(19) . . ?
O7 U1 O6 50.08(16) . . ?
O3 U1 O6 61.42(18) . . ?
O4 U1 O6 111.75(17) . . ?
O2 U1 S2 92.97(13) . . ?
O1 U1 S2 91.54(13) . . ?
O7 U1 S2 68.46(12) . . ?
O3 U1 S2 177.57(12) . . ?
O4 U1 S2 129.73(11) . . ?
O6 U1 S2 118.49(13) . . ?
O2 U1 S1 92.48(15) . . ?
O1 U1 S1 92.01(15) . . ?
O7 U1 S1 130.59(12) . . ?
O3 U1 S1 117.98(13) . . ?
O4 U1 S1 67.64(11) . . ?
O6 U1 S1 178.85(14) . . ?
S2 U1 S1 62.15(4) . . ?
O2 U1 N2 88.5(2) . . ?
O1 U1 N2 88.5(2) . . ?
O7 U1 N2 24.89(16) . . ?
O3 U1 N2 86.5(2) . . ?
O4 U1 N2 136.86(19) . . ?
O6 U1 N2 25.19(16) . . ?
S2 U1 N2 93.32(16) . . ?
S1 U1 N2 155.47(16) . . ?
O2 U1 N1 91.92(18) . . ?
O1 U1 N1 85.13(18) . . ?
O7 U1 N1 136.15(18) . . ?
O3 U1 N1 25.06(15) . . ?
O4 U1 N1 25.37(15) . . ?
O6 U1 N1 86.46(19) . . ?
S2 U1 N1 154.80(14) . . ?
S1 U1 N1 92.96(14) . . ?
N2 U1 N1 111.5(2) . . ?
O2 U1 Pt1 121.26(13) . . ?
O1 U1 Pt1 64.00(13) . . ?
O7 U1 Pt1 97.95(12) . . ?
O3 U1 Pt1 137.37(11) . . ?
O4 U1 Pt1 96.48(10) . . ?
O6 U1 Pt1 140.27(13) . . ?
S2 U1 Pt1 40.97(3) . . ?
S1 U1 Pt1 40.85(3) . . ?
N2 U1 Pt1 120.00(16) . . ?
N1 U1 Pt1 117.26(13) . . ?
O2 U1 Pt2 66.74(13) . . ?
O1 U1 Pt2 118.52(13) . . ?
O7 U1 Pt2 99.09(12) . . ?
O3 U1 Pt2 141.78(13) . . ?
O4 U1 Pt2 98.75(12) . . ?
O6 U1 Pt2 139.93(13) . . ?
S2 U1 Pt2 39.98(3) . . ?
S1 U1 Pt2 39.87(3) . . ?
N2 U1 Pt2 120.42(16) . . ?
N1 U1 Pt2 122.05(14) . . ?
Pt1 U1 Pt2 54.524(7) . . ?
P2 Pt1 P1 99.79(6) . . ?
P2 Pt1 S1 170.10(6) . . ?
P1 Pt1 S1 90.10(6) . . ?
P2 Pt1 S2 91.43(6) . . ?
P1 Pt1 S2 167.90(6) . . ?
S1 Pt1 S2 78.74(5) . . ?
P2 Pt1 U1 119.16(5) . . ?
P1 Pt1 U1 122.71(4) . . ?
S1 Pt1 U1 53.70(4) . . ?
S2 Pt1 U1 53.49(4) . . ?
P4 Pt2 P3 99.94(6) . . ?
P4 Pt2 S1 91.79(6) . . ?
P3 Pt2 S1 167.97(6) . . ?
P4 Pt2 S2 170.63(6) . . ?
P3 Pt2 S2 89.42(6) . . ?
S1 Pt2 S2 78.84(5) . . ?
P4 Pt2 U1 121.74(4) . . ?
P3 Pt2 U1 121.59(5) . . ?
S1 Pt2 U1 52.25(4) . . ?
S2 Pt2 U1 52.04(4) . . ?
Pt2 S1 Pt1 89.86(5) . . ?
Pt2 S1 U1 87.89(5) . . ?
Pt1 S1 U1 85.44(5) . . ?
Pt2 S2 Pt1 89.59(5) . . ?
Pt2 S2 U1 87.97(5) . . ?
Pt1 S2 U1 85.54(4) . . ?
C1C P1 C1B 102.5(3) . . ?
C1C P1 C1A 104.6(3) . . ?
C1B P1 C1A 101.7(3) . . ?
C1C P1 Pt1 112.33(19) . . ?
C1B P1 Pt1 115.0(2) . . ?
C1A P1 Pt1 118.9(2) . . ?
C1E P2 C1F 102.8(3) . . ?
C1E P2 C1D 100.0(3) . . ?
C1F P2 C1D 110.0(3) . . ?
C1E P2 Pt1 116.4(2) . . ?
C1F P2 Pt1 112.6(2) . . ?
C1D P2 Pt1 113.9(2) . . ?
C1G P3 C1H 105.4(3) . . ?
C1G P3 C1I 103.0(3) . . ?
C1H P3 C1I 102.2(3) . . ?
C1G P3 Pt2 111.0(2) . . ?
C1H P3 Pt2 113.4(2) . . ?
C1I P3 Pt2 120.3(2) . . ?
C1K P4 C1J 100.7(3) . . ?
C1K P4 C1L 109.2(3) . . ?
C1J P4 C1L 102.9(3) . . ?
C1K P4 Pt2 115.1(2) . . ?
C1J P4 Pt2 115.1(2) . . ?
C1L P4 Pt2 112.5(2) . . ?
O5 N1 O3 121.8(7) . . ?
O5 N1 O4 122.8(7) . . ?
O3 N1 O4 115.5(6) . . ?
O5 N1 U1 175.0(5) . . ?
O3 N1 U1 57.7(3) . . ?
O4 N1 U1 58.0(3) . . ?
N1 O3 U1 97.2(4) . . ?
N1 O4 U1 96.6(4) . . ?
O8 N2 O7 122.7(8) . . ?
O8 N2 O6 121.0(8) . . ?
O7 N2 O6 116.2(7) . . ?
O8 N2 U1 176.9(8) . . ?
O7 N2 U1 57.7(4) . . ?
O6 N2 U1 58.5(4) . . ?
N2 O6 U1 96.3(5) . . ?
N2 O7 U1 97.4(5) . . ?
C6A C1A C2A 117.7(6) . . ?
C6A C1A P1 121.6(5) . . ?
C2A C1A P1 120.6(5) . . ?
C3A C2A C1A 121.6(6) . . ?
C2A C3A C4A 119.2(6) . . ?
C5A C4A C3A 120.0(7) . . ?
C4A C5A C6A 121.6(7) . . ?
C5A C6A C1A 119.9(6) . . ?
C2B C1B C6B 117.7(6) . . ?
C2B C1B P1 122.8(5) . . ?
C6B C1B P1 119.4(5) . . ?
C1B C2B C3B 119.9(7) . . ?
C4B C3B C2B 121.2(8) . . ?
C3B C4B C5B 120.0(8) . . ?
C4B C5B C6B 120.6(7) . . ?
C5B C6B C1B 120.4(7) . . ?
C2C C1C C6C 117.4(7) . . ?
C2C C1C P1 123.5(5) . . ?
C6C C1C P1 118.9(5) . . ?
C3C C2C C1C 120.7(6) . . ?
C4C C3C C2C 120.8(7) . . ?
C3C C4C C5C 119.7(8) . . ?
C4C C5C C6C 120.2(7) . . ?
C5C C6C C1C 121.1(7) . . ?
C2D C1D C6D 118.2(7) . . ?
C2D C1D P2 118.0(5) . . ?
C6D C1D P2 123.6(6) . . ?
C1D C2D C3D 120.2(7) . . ?
C4D C3D C2D 120.3(8) . . ?
C3D C4D C5D 119.9(8) . . ?
C4D C5D C6D 120.5(8) . . ?
C1D C6D C5D 120.6(8) . . ?
C2E C1E C6E 118.6(7) . . ?
C2E C1E P2 117.8(5) . . ?
C6E C1E P2 123.6(6) . . ?
C1E C2E C3E 120.8(7) . . ?
C4E C3E C2E 120.2(8) . . ?
C3E C4E C5E 120.2(9) . . ?
C4E C5E C6E 121.3(8) . . ?
C1E C6E C5E 118.8(7) . . ?
C2F C1F C6F 119.2(7) . . ?
C2F C1F P2 124.6(7) . . ?
C6F C1F P2 116.1(5) . . ?
C1F C2F C3F 120.1(9) . . ?
C4F C3F C2F 119.9(10) . . ?
C3F C4F C5F 121.6(10) . . ?
C4F C5F C6F 118.9(9) . . ?
C1F C6F C5F 120.3(7) . . ?
C6G C1G C2G 116.9(7) . . ?
C6G C1G P3 123.7(6) . . ?
C2G C1G P3 119.4(5) . . ?
C3G C2G C1G 121.7(7) . . ?
C4G C3G C2G 119.0(7) . . ?
C5G C4G C3G 120.9(8) . . ?
C4G C5G C6G 119.7(8) . . ?
C1G C6G C5G 121.8(8) . . ?
C2H C1H C6H 118.7(6) . . ?
C2H C1H P3 118.9(5) . . ?
C6H C1H P3 122.5(5) . . ?
C1H C2H C3H 120.2(6) . . ?
C4H C3H C2H 120.5(7) . . ?
C5H C4H C3H 119.3(7) . . ?
C4H C5H C6H 120.7(7) . . ?
C1H C6H C5H 120.6(6) . . ?
C6I C1I C2I 118.0(6) . . ?
C6I C1I P3 122.1(5) . . ?
C2I C1I P3 119.9(5) . . ?
C1I C2I C3I 120.0(7) . . ?
C4I C3I C2I 121.3(7) . . ?
C5I C4I C3I 118.6(8) . . ?
C4I C5I C6I 120.9(8) . . ?
C1I C6I C5I 121.1(7) . . ?
C6J C1J C2J 118.4(6) . . ?
C6J C1J P4 123.1(5) . . ?
C2J C1J P4 118.3(5) . . ?
C3J C2J C1J 119.6(7) . . ?
C4J C3J C2J 120.3(8) . . ?
C5J C4J C3J 120.5(9) . . ?
C4J C5J C6J 120.2(9) . . ?
C1J C6J C5J 121.1(7) . . ?
C2K C1K C6K 119.1(6) . . ?
C2K C1K P4 119.2(5) . . ?
C6K C1K P4 121.5(5) . . ?
C1K C2K C3K 121.1(6) . . ?
C2K C3K C4K 119.4(7) . . ?
C5K C4K C3K 119.8(7) . . ?
C6K C5K C4K 121.0(7) . . ?
C5K C6K C1K 119.5(6) . . ?
C6L C1L C2L 119.7(6) . . ?
C6L C1L P4 125.0(5) . . ?
C2L C1L P4 115.3(5) . . ?
C3L C2L C1L 119.7(6) . . ?
C2L C3L C4L 120.5(7) . . ?
C5L C4L C3L 119.3(7) . . ?
C4L C5L C6L 120.3(7) . . ?
C1L C6L C5L 120.4(7) . . ?
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
U1 O2 1.742(4) . ?
U1 O1 1.745(4) . ?
U1 O7 2.497(5) . ?
U1 O3 2.502(4) . ?
U1 O4 2.507(5) . ?
U1 O6 2.513(5) . ?
U1 S2 2.8693(15) . ?
U1 S1 2.8774(17) . ?
U1 N2 2.929(8) . ?
U1 N1 2.936(6) . ?
U1 Pt1 3.5589(4) . ?
U1 Pt2 3.6368(4) . ?
Pt1 P2 2.2842(17) . ?
Pt1 P1 2.3128(17) . ?
Pt1 S1 2.3354(15) . ?
Pt1 S2 2.3406(15) . ?
Pt2 P4 2.2727(18) . ?
Pt2 P3 2.3029(16) . ?
Pt2 S1 2.3327(15) . ?
Pt2 S2 2.3384(16) . ?
P1 C1C 1.805(6) . ?
P1 C1B 1.810(6) . ?
P1 C1A 1.837(6) . ?
P2 C1E 1.824(7) . ?
P2 C1F 1.826(7) . ?
P2 C1D 1.831(7) . ?
P3 C1G 1.804(7) . ?
P3 C1H 1.838(6) . ?
P3 C1I 1.850(6) . ?
P4 C1K 1.809(6) . ?
P4 C1J 1.828(6) . ?
P4 C1L 1.831(6) . ?
N1 O5 1.215(6) . ?
N1 O3 1.253(7) . ?
N1 O4 1.266(7) . ?
N2 O8 1.226(8) . ?
N2 O7 1.243(8) . ?
N2 O6 1.254(7) . ?
C1A C6A 1.385(7) . ?
C1A C2A 1.392(7) . ?
C2A C3A 1.369(7) . ?
C3A C4A 1.378(8) . ?
C4A C5A 1.342(8) . ?
C5A C6A 1.376(8) . ?
C1B C2B 1.383(8) . ?
C1B C6B 1.395(7) . ?
C2B C3B 1.398(8) . ?
C3B C4B 1.341(9) . ?
C4B C5B 1.352(9) . ?
C5B C6B 1.389(8) . ?
C1C C2C 1.384(7) . ?
C1C C6C 1.385(7) . ?
C2C C3C 1.371(8) . ?
C3C C4C 1.349(8) . ?
C4C C5C 1.367(8) . ?
C5C C6C 1.367(8) . ?
C1D C2D 1.376(7) . ?
C1D C6D 1.378(8) . ?
C2D C3D 1.400(8) . ?
C3D C4D 1.353(9) . ?
C4D C5D 1.354(9) . ?
C5D C6D 1.385(9) . ?
C1E C2E 1.378(8) . ?
C1E C6E 1.390(7) . ?
C2E C3E 1.394(8) . ?
C3E C4E 1.345(9) . ?
C4E C5E 1.348(9) . ?
C5E C6E 1.405(9) . ?
C1F C2F 1.378(8) . ?
C1F C6F 1.381(8) . ?
C2F C3F 1.382(10) . ?
C3F C4F 1.346(10) . ?
C4F C5F 1.367(9) . ?
C5F C6F 1.389(8) . ?
C1G C6G 1.366(8) . ?
C1G C2G 1.382(7) . ?
C2G C3G 1.379(8) . ?
C3G C4G 1.359(8) . ?
C4G C5G 1.346(9) . ?
C5G C6G 1.378(9) . ?
C1H C2H 1.345(7) . ?
C1H C6H 1.367(7) . ?
C2H C3H 1.386(8) . ?
C3H C4H 1.353(8) . ?
C4H C5H 1.335(8) . ?
C5H C6H 1.373(8) . ?
C1I C6I 1.359(8) . ?
C1I C2I 1.377(7) . ?
C2I C3I 1.378(8) . ?
C3I C4I 1.358(9) . ?
C4I C5I 1.347(8) . ?
C5I C6I 1.376(8) . ?
C1J C6J 1.373(8) . ?
C1J C2J 1.391(7) . ?
C2J C3J 1.388(8) . ?
C3J C4J 1.358(9) . ?
C4J C5J 1.350(9) . ?
C5J C6J 1.374(8) . ?
C1K C2K 1.373(7) . ?
C1K C6K 1.388(7) . ?
C2K C3K 1.373(7) . ?
C3K C4K 1.376(8) . ?
C4K C5K 1.369(8) . ?
C5K C6K 1.369(7) . ?
C1L C6L 1.363(8) . ?
C1L C2L 1.380(7) . ?
C2L C3L 1.366(8) . ?
C3L C4L 1.380(8) . ?
C4L C5L 1.367(8) . ?
C5L C6L 1.373(8) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168347489
