#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/08/7010892.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_7010892
loop_
_publ_author_name
'Jeremy S. L. Yeo'
'Jagadese J. Vittal'
'William Henderson'
'T. S. Andy Hor'
_publ_section_title
;
 Exploring the Lewis basicity of the metalloligand [Pt2(μ-Se)2(PPh3)4]
 on metal substrates by electrospray mass spectrometry. Synthesis,
 characterization and structural studies of new platinum selenido
 phosphine complexes containing the {Pt2Se2} core
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              328
_journal_page_last               336
_journal_paper_doi               10.1039/b104996h
_journal_year                    2002
_chemical_formula_sum            'C72 H62 Cl2 O8 P4 Pt2 Se2'
_chemical_formula_weight         1798.10
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.072(2)
_cell_angle_beta                 93.836(2)
_cell_angle_gamma                114.111(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8006(12)
_cell_length_b                   13.6942(12)
_cell_length_c                   24.217(2)
_cell_measurement_reflns_used    6822
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.3
_cell_measurement_theta_min      2.5
_cell_volume                     3713.3(6)
_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      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0924
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            30240
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    4.952
_exptl_absorpt_correction_T_max  0.5642
_exptl_absorpt_correction_T_min  0.3783
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'mulfaceted block, cut'
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         6.556
_refine_diff_density_min         -1.061
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       0.00023(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         13071
_refine_ls_number_restraints     181
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0599
_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)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1538
_reflns_number_gt                8875
_reflns_number_total             13071
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104996h.txt
_cod_data_source_block           1004
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010892
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.30592(3) 0.20703(3) 0.706179(17) 0.03248(14) Uani 1 1 d . . .
Pt2 Pt 0.45138(3) 0.48884(3) 0.783473(18) 0.03423(14) Uani 1 1 d . . .
Se1 Se 0.24674(9) 0.35358(9) 0.74896(5) 0.0417(3) Uani 1 1 d . . .
H1 H 0.1713 0.3573 0.7501 0.050 Uiso 1 1 calc R . .
Se2 Se 0.36470(10) 0.31243(9) 0.80868(5) 0.0433(3) Uani 1 1 d . . .
H2 H 0.3593 0.2917 0.8454 0.052 Uiso 1 1 calc R . .
P1 P 0.2030(2) 0.1398(2) 0.61558(12) 0.0358(6) Uani 1 1 d . . .
P2 P 0.3655(2) 0.0721(2) 0.70776(13) 0.0370(7) Uani 1 1 d . . .
P4 P 0.4481(3) 0.6331(2) 0.75244(12) 0.0382(7) Uani 1 1 d . . .
P3 P 0.6330(3) 0.5647(2) 0.83765(13) 0.0421(7) Uani 1 1 d . . .
C1A C 0.1542(10) 0.2364(9) 0.5946(5) 0.041(3) Uani 1 1 d . . .
C2A C 0.0431(11) 0.2241(11) 0.5921(6) 0.059(4) Uani 1 1 d . . .
H2A H -0.0127 0.1647 0.6028 0.071 Uiso 1 1 calc R . .
C3A C 0.0113(15) 0.2999(14) 0.5737(7) 0.086(5) Uani 1 1 d . . .
H3A H -0.0656 0.2914 0.5722 0.103 Uiso 1 1 calc R . .
C4A C 0.093(2) 0.3868(14) 0.5577(6) 0.089(6) Uani 1 1 d . . .
H4A H 0.0713 0.4376 0.5456 0.107 Uiso 1 1 calc R . .
C5A C 0.2056(17) 0.3998(12) 0.5592(6) 0.079(5) Uani 1 1 d . . .
H5A H 0.2607 0.4586 0.5479 0.094 Uiso 1 1 calc R . .
C6A C 0.2370(12) 0.3245(10) 0.5778(5) 0.053(3) Uani 1 1 d . . .
H6A H 0.3138 0.3328 0.5792 0.063 Uiso 1 1 calc R . .
C1B C 0.0705(9) 0.0168(9) 0.6140(5) 0.038(3) Uani 1 1 d . . .
C2B C 0.0327(11) -0.0837(10) 0.5745(5) 0.052(3) Uani 1 1 d . . .
H2B H 0.0768 -0.0942 0.5461 0.062 Uiso 1 1 calc R . .
C3B C -0.0717(12) -0.1715(10) 0.5761(6) 0.058(4) Uani 1 1 d . . .
H3B H -0.1015 -0.2393 0.5469 0.070 Uiso 1 1 calc R . .
C4B C -0.1295(11) -0.1590(12) 0.6193(7) 0.069(4) Uani 1 1 d . . .
H4B H -0.1982 -0.2193 0.6209 0.083 Uiso 1 1 calc R . .
C5B C -0.0895(11) -0.0582(12) 0.6618(6) 0.066(4) Uani 1 1 d . . .
H5B H -0.1307 -0.0502 0.6919 0.079 Uiso 1 1 calc R . .
C6B C 0.0121(10) 0.0304(11) 0.6590(5) 0.052(3) Uani 1 1 d . . .
H6B H 0.0409 0.0990 0.6875 0.063 Uiso 1 1 calc R . .
C1C C 0.2799(9) 0.1107(9) 0.5584(5) 0.039(3) Uani 1 1 d . . .
C2C C 0.2233(11) 0.0498(10) 0.5025(5) 0.053(3) Uani 1 1 d . . .
H2C H 0.1418 0.0204 0.4941 0.064 Uiso 1 1 calc R . .
C3C C 0.2808(13) 0.0308(13) 0.4593(6) 0.075(4) Uani 1 1 d . . .
H3C H 0.2400 -0.0107 0.4217 0.091 Uiso 1 1 calc R . .
C4C C 0.4045(13) 0.0751(14) 0.4721(7) 0.078(4) Uani 1 1 d . . .
H4C H 0.4469 0.0598 0.4439 0.093 Uiso 1 1 calc R . .
C5C C 0.4593(12) 0.1406(12) 0.5267(6) 0.064(4) Uani 1 1 d . . .
H5C H 0.5410 0.1746 0.5352 0.077 Uiso 1 1 calc R . .
C6C C 0.3997(10) 0.1577(10) 0.5684(5) 0.051(3) Uani 1 1 d . . .
H6C H 0.4408 0.2030 0.6054 0.061 Uiso 1 1 calc R . .
C1D C 0.2830(9) -0.0684(9) 0.6568(5) 0.040(3) Uani 1 1 d . . .
C2D C 0.1930(11) -0.1481(9) 0.6702(6) 0.055(3) Uani 1 1 d . . .
H2D H 0.1716 -0.1335 0.7064 0.065 Uiso 1 1 calc R . .
C3D C 0.1314(13) -0.2521(11) 0.6307(6) 0.063(4) Uani 1 1 d . . .
H3D H 0.0703 -0.3087 0.6405 0.075 Uiso 1 1 calc R . .
C4D C 0.1593(14) -0.2703(11) 0.5796(7) 0.074(5) Uani 1 1 d . . .
H4D H 0.1141 -0.3396 0.5526 0.089 Uiso 1 1 calc R . .
C5D C 0.2506(14) -0.1936(12) 0.5635(6) 0.071(4) Uani 1 1 d . . .
H5D H 0.2714 -0.2111 0.5273 0.085 Uiso 1 1 calc R . .
C6D C 0.3113(11) -0.0899(10) 0.6020(5) 0.050(3) Uani 1 1 d . . .
H6D H 0.3716 -0.0336 0.5915 0.060 Uiso 1 1 calc R . .
C1E C 0.5133(9) 0.1087(9) 0.6994(5) 0.039(3) Uani 1 1 d . . .
C2E C 0.5573(11) 0.0301(11) 0.6906(5) 0.051(3) Uani 1 1 d . . .
H2E H 0.5080 -0.0449 0.6871 0.062 Uiso 1 1 calc R . .
C3E C 0.6750(13) 0.0623(16) 0.6870(6) 0.077(5) Uani 1 1 d . . .
H3E H 0.7061 0.0102 0.6834 0.093 Uiso 1 1 calc R . .
C4E C 0.7441(12) 0.1705(16) 0.6887(6) 0.079(5) Uani 1 1 d . . .
H4E H 0.8223 0.1912 0.6848 0.095 Uiso 1 1 calc R . .
C5E C 0.7024(11) 0.2502(13) 0.6961(6) 0.073(4) Uani 1 1 d . . .
H5E H 0.7514 0.3239 0.6969 0.087 Uiso 1 1 calc R . .
C6E C 0.5874(10) 0.2199(11) 0.7021(5) 0.055(3) Uani 1 1 d . . .
H6E H 0.5586 0.2738 0.7081 0.066 Uiso 1 1 calc R . .
C1F C 0.3520(9) 0.0471(8) 0.7783(5) 0.036(2) Uani 1 1 d . . .
C2F C 0.4409(11) 0.0399(10) 0.8114(5) 0.049(3) Uani 1 1 d . . .
H2F H 0.5089 0.0448 0.7972 0.059 Uiso 1 1 calc R . .
C3F C 0.4270(14) 0.0258(12) 0.8648(6) 0.070(4) Uani 1 1 d . . .
H3F H 0.4860 0.0197 0.8869 0.084 Uiso 1 1 calc R . .
C4F C 0.3306(13) 0.0203(12) 0.8873(6) 0.066(4) Uani 1 1 d . . .
H4F H 0.3245 0.0125 0.9247 0.079 Uiso 1 1 calc R . .
C5F C 0.2431(13) 0.0261(11) 0.8549(6) 0.066(4) Uani 1 1 d . . .
H5F H 0.1749 0.0196 0.8693 0.079 Uiso 1 1 calc R . .
C6F C 0.2551(10) 0.0414(9) 0.8010(5) 0.047(3) Uani 1 1 d . . .
H6F H 0.1958 0.0481 0.7794 0.056 Uiso 1 1 calc R . .
C1G C 0.6932(11) 0.4645(10) 0.8414(6) 0.056(3) Uani 1 1 d . . .
C2G C 0.6356(13) 0.3867(13) 0.8703(7) 0.078(5) Uani 1 1 d . . .
H2G H 0.5691 0.3846 0.8853 0.093 Uiso 1 1 calc R . .
C3G C 0.682(2) 0.3096(16) 0.8764(10) 0.110(7) Uani 1 1 d . . .
H3G H 0.6451 0.2530 0.8939 0.132 Uiso 1 1 calc R . .
C4G C 0.774(2) 0.3194(15) 0.8577(8) 0.094(6) Uani 1 1 d . . .
H4G H 0.8035 0.2691 0.8633 0.113 Uiso 1 1 calc R . .
C5G C 0.8375(18) 0.3971(18) 0.8294(9) 0.110(7) Uani 1 1 d . . .
H5G H 0.9053 0.3987 0.8160 0.132 Uiso 1 1 calc R . .
C6G C 0.7933(14) 0.4711(13) 0.8224(6) 0.075(4) Uani 1 1 d . . .
H6G H 0.8325 0.5264 0.8044 0.089 Uiso 1 1 calc R . .
C1H C 0.7460(9) 0.6707(10) 0.8161(5) 0.046(3) Uani 1 1 d . . .
C2H C 0.7636(10) 0.6420(11) 0.7598(6) 0.057(3) Uani 1 1 d . . .
H2H H 0.7178 0.5704 0.7349 0.069 Uiso 1 1 calc R . .
C3H C 0.8530(12) 0.7241(14) 0.7405(7) 0.070(4) Uani 1 1 d . . .
H3H H 0.8662 0.7052 0.7027 0.084 Uiso 1 1 calc R . .
C4H C 0.9181(13) 0.8269(14) 0.7748(8) 0.078(4) Uani 1 1 d . . .
H4H H 0.9753 0.8793 0.7606 0.094 Uiso 1 1 calc R . .
C5H C 0.9021(12) 0.8563(13) 0.8305(8) 0.077(4) Uani 1 1 d . . .
H5H H 0.9496 0.9276 0.8552 0.093 Uiso 1 1 calc R . .
C6H C 0.8130(11) 0.7776(11) 0.8496(6) 0.059(3) Uani 1 1 d . . .
H6H H 0.7988 0.7989 0.8870 0.071 Uiso 1 1 calc R . .
C1I C 0.6334(13) 0.6188(10) 0.9135(5) 0.055(3) Uani 1 1 d . . .
C2I C 0.7336(15) 0.6620(14) 0.9536(7) 0.095(6) Uani 1 1 d . . .
H2I H 0.8029 0.6668 0.9409 0.113 Uiso 1 1 calc R . .
C3I C 0.735(2) 0.6969(17) 1.0093(8) 0.112(7) Uani 1 1 d . . .
H3I H 0.8047 0.7253 1.0359 0.135 Uiso 1 1 calc R . .
C4I C 0.636(3) 0.6912(16) 1.0274(8) 0.118(8) Uani 1 1 d . . .
H4I H 0.6384 0.7194 1.0668 0.142 Uiso 1 1 calc R . .
C5I C 0.534(2) 0.6459(16) 0.9903(8) 0.108(7) Uani 1 1 d . . .
H5I H 0.4648 0.6386 1.0036 0.129 Uiso 1 1 calc R . .
C6I C 0.5348(15) 0.6111(11) 0.9327(6) 0.071(4) Uani 1 1 d . . .
H6I H 0.4652 0.5812 0.9061 0.085 Uiso 1 1 calc R . .
C1J C 0.5476(6) 0.7706(5) 0.7972(3) 0.042(3) Uiso 1 1 d G . .
C2J C 0.6248(7) 0.8513(7) 0.7750(3) 0.057(3) Uiso 1 1 d G . .
H2J H 0.6258 0.8357 0.7353 0.069 Uiso 1 1 calc R . .
C3J C 0.7003(7) 0.9550(6) 0.8116(4) 0.065(4) Uiso 1 1 d G . .
H3J H 0.7524 1.0096 0.7966 0.078 Uiso 1 1 calc R . .
C4J C 0.6987(7) 0.9781(5) 0.8704(3) 0.069(4) Uiso 1 1 d G . .
H4J H 0.7498 1.0482 0.8952 0.083 Uiso 1 1 calc R . .
C5J C 0.6216(7) 0.8974(7) 0.8926(2) 0.070(4) Uiso 1 1 d G . .
H5J H 0.6205 0.9130 0.9323 0.084 Uiso 1 1 calc R . .
C6J C 0.5461(6) 0.7937(6) 0.8560(3) 0.050(3) Uiso 1 1 d G . .
H6J H 0.4939 0.7391 0.8710 0.060 Uiso 1 1 calc R . .
C1K C 0.3036(9) 0.6315(9) 0.7508(5) 0.039(3) Uani 1 1 d . . .
C2K C 0.2828(12) 0.7103(11) 0.7880(6) 0.063(4) Uani 1 1 d . . .
H2K H 0.3447 0.7700 0.8150 0.076 Uiso 1 1 calc R . .
C3K C 0.1689(14) 0.7025(14) 0.7862(7) 0.076(4) Uani 1 1 d . . .
H3K H 0.1544 0.7567 0.8115 0.092 Uiso 1 1 calc R . .
C4K C 0.0784(13) 0.6126(14) 0.7459(7) 0.073(4) Uani 1 1 d . . .
H4K H 0.0014 0.6032 0.7459 0.087 Uiso 1 1 calc R . .
C5K C 0.1009(11) 0.5387(11) 0.7067(6) 0.059(3) Uani 1 1 d . . .
H5K H 0.0405 0.4829 0.6774 0.071 Uiso 1 1 calc R . .
C6K C 0.2119(10) 0.5450(10) 0.7095(5) 0.046(3) Uani 1 1 d . . .
H6K H 0.2256 0.4910 0.6836 0.056 Uiso 1 1 calc R . .
C1L C 0.4699(9) 0.6295(9) 0.6791(5) 0.043(3) Uani 1 1 d . . .
C2L C 0.4362(11) 0.6912(10) 0.6491(5) 0.050(3) Uani 1 1 d . . .
H2L H 0.3981 0.7324 0.6669 0.060 Uiso 1 1 calc R . .
C3L C 0.4570(12) 0.6929(12) 0.5951(6) 0.063(4) Uani 1 1 d . . .
H3L H 0.4327 0.7348 0.5761 0.076 Uiso 1 1 calc R . .
C4L C 0.5118(12) 0.6356(14) 0.5682(6) 0.075(4) Uani 1 1 d . . .
H4L H 0.5272 0.6393 0.5311 0.089 Uiso 1 1 calc R . .
C5L C 0.5456(13) 0.5718(14) 0.5947(6) 0.077(5) Uani 1 1 d . . .
H5L H 0.5819 0.5303 0.5754 0.092 Uiso 1 1 calc R . .
C6L C 0.5254(10) 0.5685(11) 0.6516(5) 0.053(3) Uani 1 1 d . . .
H6L H 0.5492 0.5259 0.6703 0.064 Uiso 1 1 calc R . .
Cl1 Cl 0.0207(3) 0.1946(3) 0.83615(17) 0.0692(10) Uani 1 1 d D . .
O1 O -0.0487(10) 0.1704(10) 0.8761(5) 0.130(5) Uiso 1 1 d D . .
O2 O 0.1000(15) 0.1505(17) 0.8362(8) 0.121(7) Uiso 0.60 1 d PD . .
O3 O 0.0820(18) 0.3115(11) 0.8483(9) 0.148(9) Uiso 0.60 1 d PD . .
O4 O -0.0475(15) 0.1545(19) 0.7812(6) 0.134(8) Uiso 0.60 1 d PD . .
O2A O 0.1348(13) 0.2733(19) 0.8640(9) 0.110(6) Uiso 0.40 1 d PD . .
O3A O -0.019(2) 0.242(2) 0.7989(9) 0.110(6) Uiso 0.40 1 d PD . .
O4A O 0.029(2) 0.1020(15) 0.8026(10) 0.110(6) Uiso 0.40 1 d PD . .
Cl2 Cl 0.7761(4) 0.4456(4) 0.5893(2) 0.0930(14) Uani 1 1 d D . .
O5 O 0.771(2) 0.3347(15) 0.5901(11) 0.155(6) Uiso 0.50 1 d PD . .
O6 O 0.761(2) 0.494(2) 0.6419(8) 0.155(6) Uiso 0.50 1 d PD . .
O7 O 0.6977(19) 0.425(2) 0.5403(8) 0.155(6) Uiso 0.50 1 d PD . .
O8 O 0.8937(15) 0.502(2) 0.5785(11) 0.155(6) Uiso 0.50 1 d PD . .
O5A O 0.788(2) 0.5326(17) 0.5668(10) 0.144(5) Uiso 0.50 1 d PD . .
O6A O 0.8666(18) 0.487(2) 0.6405(8) 0.144(5) Uiso 0.50 1 d PD . .
O7A O 0.769(2) 0.3480(15) 0.5552(10) 0.144(5) Uiso 0.50 1 d PD . .
O8A O 0.6696(17) 0.418(2) 0.6169(10) 0.144(5) Uiso 0.50 1 d PD . .
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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 '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
P1 Pt1 P2 99.96(10) . . ?
P1 Pt1 Se2 157.72(8) . . ?
P2 Pt1 Se2 100.12(8) . . ?
P1 Pt1 Se1 101.76(8) . . ?
P2 Pt1 Se1 154.85(8) . . ?
Se2 Pt1 Se1 56.64(4) . . ?
P4 Pt2 P3 103.08(11) . . ?
P4 Pt2 Se2 155.00(8) . . ?
P3 Pt2 Se2 99.76(8) . . ?
P4 Pt2 Se1 99.38(8) . . ?
P3 Pt2 Se1 156.35(9) . . ?
Se2 Pt2 Se1 56.88(4) . . ?
Se2 Se1 Pt2 61.44(4) . . ?
Se2 Se1 Pt1 61.56(4) . . ?
Pt2 Se1 Pt1 90.68(4) . . ?
Se1 Se2 Pt2 61.68(4) . . ?
Se1 Se2 Pt1 61.80(4) . . ?
Pt2 Se2 Pt1 90.94(4) . . ?
C1C P1 C1A 102.7(5) . . ?
C1C P1 C1B 111.7(5) . . ?
C1A P1 C1B 105.7(5) . . ?
C1C P1 Pt1 116.0(3) . . ?
C1A P1 Pt1 113.0(3) . . ?
C1B P1 Pt1 107.3(4) . . ?
C1E P2 C1F 107.3(5) . . ?
C1E P2 C1D 104.2(5) . . ?
C1F P2 C1D 103.6(5) . . ?
C1E P2 Pt1 114.7(4) . . ?
C1F P2 Pt1 106.5(3) . . ?
C1D P2 Pt1 119.5(3) . . ?
C1J P4 C1L 106.9(5) . . ?
C1J P4 C1K 104.8(5) . . ?
C1L P4 C1K 102.3(5) . . ?
C1J P4 Pt2 115.2(3) . . ?
C1L P4 Pt2 115.8(4) . . ?
C1K P4 Pt2 110.6(4) . . ?
C1H P3 C1I 108.1(6) . . ?
C1H P3 C1G 103.1(6) . . ?
C1I P3 C1G 100.6(6) . . ?
C1H P3 Pt2 116.8(4) . . ?
C1I P3 Pt2 111.9(5) . . ?
C1G P3 Pt2 114.8(4) . . ?
C2A C1A C6A 119.7(11) . . ?
C2A C1A P1 123.5(10) . . ?
C6A C1A P1 116.7(9) . . ?
C1A C2A C3A 120.2(14) . . ?
C4A C3A C2A 120.0(15) . . ?
C5A C4A C3A 120.6(15) . . ?
C4A C5A C6A 119.2(16) . . ?
C5A C6A C1A 120.3(13) . . ?
C2B C1B C6B 120.6(11) . . ?
C2B C1B P1 124.4(9) . . ?
C6B C1B P1 114.9(8) . . ?
C1B C2B C3B 119.9(12) . . ?
C4B C3B C2B 119.8(12) . . ?
C3B C4B C5B 121.2(13) . . ?
C6B C5B C4B 119.0(13) . . ?
C1B C6B C5B 119.3(12) . . ?
C6C C1C C2C 117.1(11) . . ?
C6C C1C P1 120.2(9) . . ?
C2C C1C P1 122.5(9) . . ?
C3C C2C C1C 122.6(12) . . ?
C2C C3C C4C 118.6(13) . . ?
C5C C4C C3C 117.9(13) . . ?
C6C C5C C4C 121.8(13) . . ?
C5C C6C C1C 121.7(12) . . ?
C2D C1D C6D 119.3(11) . . ?
C2D C1D P2 121.7(9) . . ?
C6D C1D P2 119.0(9) . . ?
C1D C2D C3D 120.4(13) . . ?
C4D C3D C2D 119.3(14) . . ?
C3D C4D C5D 123.3(13) . . ?
C4D C5D C6D 117.8(14) . . ?
C5D C6D C1D 119.8(13) . . ?
C2E C1E C6E 119.0(11) . . ?
C2E C1E P2 121.5(9) . . ?
C6E C1E P2 119.5(9) . . ?
C1E C2E C3E 120.2(13) . . ?
C4E C3E C2E 119.2(15) . . ?
C3E C4E C5E 122.0(14) . . ?
C4E C5E C6E 119.0(14) . . ?
C5E C6E C1E 120.4(13) . . ?
C6F C1F C2F 118.9(11) . . ?
C6F C1F P2 119.3(8) . . ?
C2F C1F P2 121.7(8) . . ?
C3F C2F C1F 118.6(12) . . ?
C4F C3F C2F 122.4(13) . . ?
C3F C4F C5F 119.2(13) . . ?
C4F C5F C6F 119.8(13) . . ?
C1F C6F C5F 121.1(12) . . ?
C6G C1G C2G 121.2(13) . . ?
C6G C1G P3 123.3(11) . . ?
C2G C1G P3 115.2(11) . . ?
C1G C2G C3G 117.1(17) . . ?
C4G C3G C2G 119(2) . . ?
C3G C4G C5G 127(2) . . ?
C6G C5G C4G 115.3(19) . . ?
C1G C6G C5G 120.6(17) . . ?
C6H C1H C2H 118.0(12) . . ?
C6H C1H P3 125.5(10) . . ?
C2H C1H P3 116.5(9) . . ?
C1H C2H C3H 118.5(13) . . ?
C4H C3H C2H 121.9(14) . . ?
C3H C4H C5H 120.4(15) . . ?
C4H C5H C6H 118.5(14) . . ?
C1H C6H C5H 122.7(14) . . ?
C6I C1I C2I 117.9(14) . . ?
C6I C1I P3 121.3(11) . . ?
C2I C1I P3 120.6(13) . . ?
C3I C2I C1I 122.0(19) . . ?
C2I C3I C4I 119(2) . . ?
C3I C4I C5I 121.7(18) . . ?
C4I C5I C6I 118(2) . . ?
C1I C6I C5I 121.2(17) . . ?
C2J C1J C6J 120.0 . . ?
C2J C1J P4 122.5(4) . . ?
C6J C1J P4 117.5(4) . . ?
C1J C2J C3J 120.0 . . ?
C2J C3J C4J 120.0 . . ?
C5J C4J C3J 120.0 . . ?
C4J C5J C6J 120.0 . . ?
C5J C6J C1J 120.0 . . ?
C2K C1K C6K 119.4(11) . . ?
C2K C1K P4 123.0(9) . . ?
C6K C1K P4 117.6(8) . . ?
C1K C2K C3K 120.5(13) . . ?
C4K C3K C2K 118.6(14) . . ?
C5K C4K C3K 120.4(13) . . ?
C4K C5K C6K 120.6(13) . . ?
C5K C6K C1K 120.2(11) . . ?
C6L C1L C2L 118.1(11) . . ?
C6L C1L P4 120.6(9) . . ?
C2L C1L P4 121.3(9) . . ?
C3L C2L C1L 121.6(12) . . ?
C4L C3L C2L 121.1(13) . . ?
C3L C4L C5L 120.3(13) . . ?
C4L C5L C6L 120.0(13) . . ?
C1L C6L C5L 118.8(12) . . ?
O1 Cl1 O2 112.5(8) . . ?
O1 Cl1 O4A 113.2(9) . . ?
O2 Cl1 O4A 44.3(11) . . ?
O1 Cl1 O4 109.9(9) . . ?
O2 Cl1 O4 109.2(9) . . ?
O4A Cl1 O4 67.9(12) . . ?
O1 Cl1 O3A 111.6(9) . . ?
O2 Cl1 O3A 134.9(12) . . ?
O4A Cl1 O3A 107.7(10) . . ?
O4 Cl1 O3A 44.8(11) . . ?
O1 Cl1 O3 108.7(8) . . ?
O2 Cl1 O3 108.6(9) . . ?
O4A Cl1 O3 136.6(12) . . ?
O4 Cl1 O3 107.8(9) . . ?
O3A Cl1 O3 65.0(12) . . ?
O1 Cl1 O2A 109.8(9) . . ?
O2 Cl1 O2A 66.0(12) . . ?
O4A Cl1 O2A 107.1(10) . . ?
O4 Cl1 O2A 138.1(12) . . ?
O3A Cl1 O2A 107.1(10) . . ?
O3 Cl1 O2A 45.9(11) . . ?
O4A O2 Cl1 68.6(9) . . ?
O4A O2 O2A 122.3(15) . . ?
Cl1 O2 O2A 58.2(7) . . ?
O2A O3 Cl1 67.2(9) . . ?
O2A O3 O3A 119.2(14) . . ?
Cl1 O3 O3A 57.1(7) . . ?
O3A O4 Cl1 67.8(9) . . ?
O3A O4 O4A 117.4(15) . . ?
Cl1 O4 O4A 55.9(7) . . ?
O3 O2A Cl1 66.9(9) . . ?
O3 O2A O2 118.4(13) . . ?
Cl1 O2A O2 55.8(7) . . ?
O4 O3A Cl1 67.5(9) . . ?
O4 O3A O3 122.6(13) . . ?
Cl1 O3A O3 57.9(7) . . ?
O2 O4A Cl1 67.1(9) . . ?
O2 O4A O4 119.6(14) . . ?
Cl1 O4A O4 56.2(7) . . ?
O6 Cl2 O7A 143.4(14) . . ?
O6 Cl2 O5A 94.8(15) . . ?
O7A Cl2 O5A 120.9(11) . . ?
O6 Cl2 O7 119.0(11) . . ?
O7A Cl2 O7 77.5(14) . . ?
O5A Cl2 O7 61.1(13) . . ?
O6 Cl2 O8 113.0(11) . . ?
O7A Cl2 O8 88.7(15) . . ?
O5A Cl2 O8 68.8(14) . . ?
O7 Cl2 O8 108.2(10) . . ?
O6 Cl2 O6A 59.0(13) . . ?
O7A Cl2 O6A 109.9(10) . . ?
O5A Cl2 O6A 109.1(10) . . ?
O7 Cl2 O6A 170.2(14) . . ?
O8 Cl2 O6A 66.4(13) . . ?
O6 Cl2 O5 107.9(10) . . ?
O7A Cl2 O5 36.6(13) . . ?
O5A Cl2 O5 157.2(13) . . ?
O7 Cl2 O5 105.8(10) . . ?
O8 Cl2 O5 101.2(10) . . ?
O6A Cl2 O5 83.6(13) . . ?
O6 Cl2 O8A 49.3(13) . . ?
O7A Cl2 O8A 107.4(10) . . ?
O5A Cl2 O8A 107.3(10) . . ?
O7 Cl2 O8A 83.3(13) . . ?
O8 Cl2 O8A 162.2(13) . . ?
O6A Cl2 O8A 100.1(9) . . ?
O5 Cl2 O8A 88.2(14) . . ?
O7A O5 Cl2 63.9(10) . . ?
O8A O6 Cl2 71.5(11) . . ?
O8A O6 O6A 122.3(19) . . ?
Cl2 O6 O6A 64.2(9) . . ?
Cl2 O7 O5A 58.7(9) . . ?
Cl2 O7 O7A 50.4(8) . . ?
O5A O7 O7A 98.4(12) . . ?
Cl2 O8 O6A 57.1(8) . . ?
Cl2 O8 O5A 53.2(8) . . ?
O6A O8 O5A 92.6(12) . . ?
Cl2 O5A O7 60.2(9) . . ?
Cl2 O5A O8 57.9(9) . . ?
O7 O5A O8 100.0(14) . . ?
O6 O6A Cl2 56.8(8) . . ?
O6 O6A O8 103.2(13) . . ?
Cl2 O6A O8 56.5(8) . . ?
O5 O7A Cl2 79.5(13) . . ?
O5 O7A O7 119(2) . . ?
Cl2 O7A O7 52.1(8) . . ?
O6 O8A Cl2 59.2(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 P1 2.260(3) . ?
Pt1 P2 2.275(3) . ?
Pt1 Se2 2.4604(12) . ?
Pt1 Se1 2.4661(12) . ?
Pt2 P4 2.282(3) . ?
Pt2 P3 2.282(3) . ?
Pt2 Se2 2.4510(12) . ?
Pt2 Se1 2.4564(12) . ?
Se1 Se2 2.3370(16) . ?
P1 C1C 1.816(11) . ?
P1 C1A 1.826(11) . ?
P1 C1B 1.829(11) . ?
P2 C1E 1.787(11) . ?
P2 C1F 1.823(11) . ?
P2 C1D 1.853(11) . ?
P4 C1J 1.810(6) . ?
P4 C1L 1.810(12) . ?
P4 C1K 1.838(11) . ?
P3 C1H 1.788(12) . ?
P3 C1I 1.818(13) . ?
P3 C1G 1.842(13) . ?
C1A C2A 1.358(16) . ?
C1A C6A 1.406(16) . ?
C2A C3A 1.405(18) . ?
C3A C4A 1.38(2) . ?
C4A C5A 1.38(2) . ?
C5A C6A 1.398(18) . ?
C1B C2B 1.357(15) . ?
C1B C6B 1.384(16) . ?
C2B C3B 1.396(17) . ?
C3B C4B 1.341(18) . ?
C4B C5B 1.391(19) . ?
C5B C6B 1.388(17) . ?
C1C C6C 1.378(15) . ?
C1C C2C 1.385(15) . ?
C2C C3C 1.356(17) . ?
C3C C4C 1.43(2) . ?
C4C C5C 1.367(19) . ?
C5C C6C 1.341(17) . ?
C1D C2D 1.344(16) . ?
C1D C6D 1.398(16) . ?
C2D C3D 1.389(17) . ?
C3D C4D 1.31(2) . ?
C4D C5D 1.37(2) . ?
C5D C6D 1.376(17) . ?
C1E C2E 1.389(16) . ?
C1E C6E 1.411(16) . ?
C2E C3E 1.402(18) . ?
C3E C4E 1.37(2) . ?
C4E C5E 1.38(2) . ?
C5E C6E 1.385(18) . ?
C1F C6F 1.371(15) . ?
C1F C2F 1.397(15) . ?
C2F C3F 1.362(18) . ?
C3F C4F 1.362(19) . ?
C4F C5F 1.364(19) . ?
C5F C6F 1.376(17) . ?
C1G C6G 1.367(19) . ?
C1G C2G 1.391(19) . ?
C2G C3G 1.44(2) . ?
C3G C4G 1.25(3) . ?
C4G C5G 1.40(3) . ?
C5G C6G 1.38(2) . ?
C1H C6H 1.372(17) . ?
C1H C2H 1.392(17) . ?
C2H C3H 1.430(19) . ?
C3H C4H 1.34(2) . ?
C4H C5H 1.37(2) . ?
C5H C6H 1.404(19) . ?
C1I C6I 1.345(19) . ?
C1I C2I 1.375(19) . ?
C2I C3I 1.32(2) . ?
C3I C4I 1.35(3) . ?
C4I C5I 1.35(3) . ?
C5I C6I 1.37(2) . ?
C1J C2J 1.3900 . ?
C1J C6J 1.3900 . ?
C2J C3J 1.3900 . ?
C3J C4J 1.3900 . ?
C4J C5J 1.3900 . ?
C5J C6J 1.3900 . ?
C1K C2K 1.369(16) . ?
C1K C6K 1.397(15) . ?
C2K C3K 1.415(19) . ?
C3K C4K 1.40(2) . ?
C4K C5K 1.360(19) . ?
C5K C6K 1.384(16) . ?
C1L C6L 1.394(16) . ?
C1L C2L 1.399(15) . ?
C2L C3L 1.356(17) . ?
C3L C4L 1.346(19) . ?
C4L C5L 1.37(2) . ?
C5L C6L 1.426(18) . ?
Cl1 O1 1.361(11) . ?
Cl1 O2 1.378(12) . ?
Cl1 O4A 1.392(13) . ?
Cl1 O4 1.398(12) . ?
Cl1 O3A 1.401(13) . ?
Cl1 O3 1.413(13) . ?
Cl1 O2A 1.416(13) . ?
O2 O4A 1.04(3) . ?
O2 O2A 1.52(3) . ?
O3 O2A 1.10(3) . ?
O3 O3A 1.51(3) . ?
O4 O3A 1.07(3) . ?
O4 O4A 1.56(3) . ?
Cl2 O6 1.363(14) . ?
Cl2 O7A 1.366(14) . ?
Cl2 O5A 1.378(14) . ?
Cl2 O7 1.399(14) . ?
Cl2 O8 1.457(15) . ?
Cl2 O6A 1.467(14) . ?
Cl2 O5 1.496(15) . ?
Cl2 O8A 1.505(14) . ?
O5 O7A 0.91(3) . ?
O6 O8A 1.20(3) . ?
O6 O6A 1.40(3) . ?
O7 O5A 1.41(3) . ?
O7 O7A 1.73(3) . ?
O8 O6A 1.60(3) . ?
O8 O5A 1.60(3) . ?
