#------------------------------------------------------------------------------
#$Date: 2018-08-11 18:04:49 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209574 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/06/7000690.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_7000690
loop_
_publ_author_name
'Shin, Kyong-Soon'
'Son, Kyung-In'
'Kim, Jae Il'
'Hong, Chang Seop'
'Suh, Myungkoo'
'Noh, Dong-Youn'
_publ_section_title
;
 Heteroleptic binuclear palladium(II) and platinum(II) complexes
 containing 1,2-bis(diphenylphosphino)acetylene and
 1,2-benzenedithiolates: syntheses, crystal structures,
 electrochemistry and photoluminescence properties
;
_journal_coden_ASTM              DTARAF
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1767
_journal_page_last               1775
_journal_paper_doi               10.1039/b815013c
_journal_year                    2009
_chemical_formula_sum            'C67 H57 Cl3 O2 P4 Pt2 S4'
_chemical_formula_weight         1642.78
_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                97.397(2)
_cell_angle_beta                 96.961(2)
_cell_angle_gamma                92.179(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8814(8)
_cell_length_b                   14.7267(12)
_cell_length_c                   21.2919(16)
_cell_measurement_reflns_used    8140
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.004
_cell_measurement_theta_min      2.287
_cell_volume                     3353.6(4)
_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_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  0.0423
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            55310
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         0.97
_exptl_absorpt_coefficient_mu    4.549
_exptl_absorpt_correction_T_max  0.7413
_exptl_absorpt_correction_T_min  0.6591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1612
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.821
_refine_diff_density_min         -0.895
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         16442
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0418
_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)+(0.0672P)²+4.5780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                11781
_reflns_number_total             16442
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B815013c.txt
_cod_data_source_block           pt_tdt_[Pt(tdt)]2(u-dppa)2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000690
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 0.30866(2) 0.287636(16) 0.389030(11) 0.04042(8) Uani 1 1 d . . .
Pt2 Pt 0.580230(19) 0.251713(14) 0.092920(10) 0.03409(7) Uani 1 1 d . . .
P1 P 0.27396(14) 0.38212(11) 0.31387(8) 0.0409(3) Uani 1 1 d . . .
P2 P 0.50026(14) 0.25007(10) 0.36462(7) 0.0370(3) Uani 1 1 d . . .
P3 P 0.45584(14) 0.36359(10) 0.12427(8) 0.0366(3) Uani 1 1 d . . .
P4 P 0.49298(14) 0.14519(10) 0.14518(7) 0.0352(3) Uani 1 1 d . . .
S1 S 0.11708(17) 0.32457(15) 0.41757(10) 0.0628(5) Uani 1 1 d . . .
S2 S 0.3395(2) 0.21326(14) 0.47751(10) 0.0631(5) Uani 1 1 d . . .
S3 S 0.66383(15) 0.35522(11) 0.03497(9) 0.0487(4) Uani 1 1 d . . .
S4 S 0.70353(15) 0.14318(11) 0.04929(8) 0.0452(4) Uani 1 1 d . . .
C1 C 0.3513(5) 0.3644(4) 0.2458(3) 0.0392(13) Uani 1 1 d . . .
C2 C 0.3905(6) 0.3572(4) 0.1959(3) 0.0405(13) Uani 1 1 d . . .
C3 C 0.5042(6) 0.2024(4) 0.2842(3) 0.0398(13) Uani 1 1 d . . .
C4 C 0.5034(6) 0.1748(4) 0.2285(3) 0.0400(13) Uani 1 1 d . . .
C5 C 0.1165(8) 0.2886(6) 0.4921(4) 0.068(2) Uani 1 1 d . . .
C6 C 0.0148(8) 0.3074(6) 0.5269(5) 0.081(3) Uani 1 1 d . A .
H6 H -0.0506 0.3386 0.5090 0.097 Uiso 1 1 calc R . .
C7 C 0.0103(13) 0.2814(9) 0.5853(6) 0.109(4) Uani 1 1 d . . .
C8A C -0.069(3) 0.294(2) 0.6298(19) 0.144(17) Uani 0.393(18) 1 d P A 1
H8A1 H -0.1112 0.3494 0.6254 0.217 Uiso 0.393(18) 1 calc PR A 1
H8A2 H -0.0234 0.2987 0.6717 0.217 Uiso 0.393(18) 1 calc PR A 1
H8A3 H -0.1287 0.2429 0.6238 0.217 Uiso 0.393(18) 1 calc PR A 1
C8B C 0.0967(16) 0.2070(12) 0.6765(7) 0.086(6) Uani 0.607(18) 1 d P A 2
H8B1 H 0.1766 0.1937 0.6966 0.130 Uiso 0.607(18) 1 calc PR A 2
H8B2 H 0.0412 0.1538 0.6722 0.130 Uiso 0.607(18) 1 calc PR A 2
H8B3 H 0.0645 0.2569 0.7021 0.130 Uiso 0.607(18) 1 calc PR A 2
C9 C 0.1089(15) 0.2328(8) 0.6129(5) 0.109(4) Uani 1 1 d . A .
C10 C 0.2110(11) 0.2124(7) 0.5797(4) 0.089(3) Uani 1 1 d . . .
H9 H 0.2759 0.1809 0.5977 0.107 Uiso 1 1 calc R A .
C11 C 0.2138(8) 0.2401(5) 0.5187(4) 0.065(2) Uani 1 1 d . A .
C12 C 0.1188(6) 0.3825(5) 0.2702(3) 0.0502(16) Uani 1 1 d . . .
C13 C 0.0533(7) 0.2998(6) 0.2507(4) 0.071(2) Uani 1 1 d . . .
H13 H 0.0809 0.2471 0.2664 0.085 Uiso 1 1 calc R . .
C14 C -0.0537(8) 0.2952(9) 0.2077(5) 0.097(3) Uani 1 1 d . . .
H14 H -0.0966 0.2390 0.1936 0.116 Uiso 1 1 calc R . .
C15 C -0.0963(8) 0.3726(10) 0.1861(5) 0.100(4) Uani 1 1 d . . .
H15 H -0.1682 0.3691 0.1572 0.120 Uiso 1 1 calc R . .
C16 C -0.0342(9) 0.4548(9) 0.2064(5) 0.097(4) Uani 1 1 d . . .
H16 H -0.0643 0.5073 0.1914 0.116 Uiso 1 1 calc R . .
C17 C 0.0755(7) 0.4619(6) 0.2500(4) 0.071(2) Uani 1 1 d . . .
H17 H 0.1171 0.5184 0.2646 0.086 Uiso 1 1 calc R . .
C18 C 0.3235(7) 0.5002(5) 0.3442(3) 0.0518(16) Uani 1 1 d . . .
C19 C 0.2877(11) 0.5400(6) 0.4003(4) 0.090(3) Uani 1 1 d . . .
H19 H 0.2352 0.5068 0.4214 0.108 Uiso 1 1 calc R . .
C20 C 0.3276(14) 0.6275(7) 0.4260(5) 0.108(4) Uani 1 1 d . . .
H20 H 0.3010 0.6530 0.4640 0.130 Uiso 1 1 calc R . .
C21 C 0.4025(13) 0.6759(7) 0.3981(6) 0.113(4) Uani 1 1 d . . .
H21 H 0.4290 0.7355 0.4159 0.136 Uiso 1 1 calc R . .
C22 C 0.4406(16) 0.6388(8) 0.3437(8) 0.171(8) Uani 1 1 d . . .
H22 H 0.4947 0.6729 0.3241 0.206 Uiso 1 1 calc R . .
C23 C 0.4010(12) 0.5499(7) 0.3154(6) 0.120(5) Uani 1 1 d . . .
H23 H 0.4278 0.5253 0.2773 0.144 Uiso 1 1 calc R . .
C24 C 0.5770(6) 0.1643(4) 0.4076(3) 0.0461(15) Uani 1 1 d . . .
C25 C 0.6844(7) 0.1828(5) 0.4474(3) 0.0533(17) Uani 1 1 d . . .
H25 H 0.7227 0.2412 0.4522 0.064 Uiso 1 1 calc R . .
C26 C 0.7385(9) 0.1172(7) 0.4809(4) 0.076(2) Uani 1 1 d . . .
H26 H 0.8121 0.1315 0.5082 0.091 Uiso 1 1 calc R . .
C27 C 0.6832(9) 0.0312(7) 0.4737(5) 0.085(3) Uani 1 1 d . . .
H27 H 0.7193 -0.0138 0.4955 0.102 Uiso 1 1 calc R . .
C28 C 0.5752(9) 0.0118(6) 0.4344(5) 0.092(3) Uani 1 1 d . . .
H28 H 0.5368 -0.0466 0.4300 0.110 Uiso 1 1 calc R . .
C29 C 0.5210(8) 0.0770(5) 0.4007(5) 0.075(2) Uani 1 1 d . . .
H29 H 0.4474 0.0624 0.3736 0.090 Uiso 1 1 calc R . .
C30 C 0.6116(5) 0.3479(4) 0.3748(3) 0.0405(13) Uani 1 1 d . . .
C31 C 0.5958(7) 0.4237(5) 0.4169(4) 0.0567(18) Uani 1 1 d . . .
H31 H 0.5268 0.4253 0.4388 0.068 Uiso 1 1 calc R . .
C32 C 0.6794(8) 0.4965(6) 0.4274(5) 0.078(3) Uani 1 1 d . . .
H32 H 0.6664 0.5478 0.4556 0.094 Uiso 1 1 calc R . .
C33 C 0.7836(8) 0.4948(7) 0.3962(5) 0.082(3) Uani 1 1 d . . .
H33 H 0.8416 0.5443 0.4043 0.098 Uiso 1 1 calc R . .
C34 C 0.8016(8) 0.4201(7) 0.3532(5) 0.076(2) Uani 1 1 d . . .
H34 H 0.8705 0.4192 0.3312 0.091 Uiso 1 1 calc R . .
C35 C 0.7153(7) 0.3454(5) 0.3428(4) 0.0598(18) Uani 1 1 d . . .
H35 H 0.7273 0.2940 0.3144 0.072 Uiso 1 1 calc R . .
C36 C 0.3189(6) 0.3762(4) 0.0693(3) 0.0428(14) Uani 1 1 d . . .
C37 C 0.3345(7) 0.3853(5) 0.0060(4) 0.0599(19) Uani 1 1 d . . .
H37 H 0.4128 0.3825 -0.0072 0.072 Uiso 1 1 calc R . .
C38 C 0.2323(8) 0.3986(6) -0.0368(4) 0.074(2) Uani 1 1 d . . .
H38 H 0.2425 0.4055 -0.0787 0.088 Uiso 1 1 calc R . .
C39 C 0.1168(8) 0.4015(7) -0.0179(5) 0.082(3) Uani 1 1 d . . .
H39 H 0.0492 0.4123 -0.0466 0.098 Uiso 1 1 calc R . .
C40 C 0.1003(8) 0.3888(8) 0.0425(5) 0.092(3) Uani 1 1 d . . .
H40 H 0.0208 0.3874 0.0543 0.110 Uiso 1 1 calc R . .
C41 C 0.2009(7) 0.3777(7) 0.0867(4) 0.072(2) Uani 1 1 d . . .
H41 H 0.1888 0.3711 0.1284 0.087 Uiso 1 1 calc R . .
C42 C 0.5284(5) 0.4796(4) 0.1474(3) 0.0404(13) Uani 1 1 d . . .
C43 C 0.4831(7) 0.5540(5) 0.1220(4) 0.0589(18) Uani 1 1 d . . .
H43 H 0.4190 0.5461 0.0883 0.071 Uiso 1 1 calc R . .
C44 C 0.5324(9) 0.6405(5) 0.1461(5) 0.075(2) Uani 1 1 d . . .
H44 H 0.5012 0.6908 0.1285 0.090 Uiso 1 1 calc R . .
C45 C 0.6273(9) 0.6540(5) 0.1961(5) 0.074(2) Uani 1 1 d . . .
H45 H 0.6597 0.7127 0.2127 0.089 Uiso 1 1 calc R . .
C46 C 0.6726(8) 0.5784(6) 0.2208(4) 0.071(2) Uani 1 1 d . . .
H46 H 0.7368 0.5863 0.2544 0.086 Uiso 1 1 calc R . .
C47 C 0.6247(6) 0.4908(5) 0.1966(4) 0.0571(18) Uani 1 1 d . . .
H47 H 0.6570 0.4402 0.2133 0.068 Uiso 1 1 calc R . .
C48 C 0.5590(6) 0.0336(4) 0.1382(3) 0.0405(13) Uani 1 1 d . . .
C49 C 0.6713(7) 0.0229(5) 0.1737(4) 0.063(2) Uani 1 1 d . . .
H49 H 0.7086 0.0712 0.2031 0.076 Uiso 1 1 calc R . .
C50 C 0.7285(9) -0.0597(6) 0.1658(5) 0.079(3) Uani 1 1 d . . .
H50 H 0.8044 -0.0665 0.1895 0.095 Uiso 1 1 calc R . .
C51 C 0.6728(8) -0.1311(5) 0.1229(4) 0.069(2) Uani 1 1 d . . .
H51 H 0.7104 -0.1868 0.1178 0.083 Uiso 1 1 calc R . .
C52 C 0.5636(8) -0.1204(5) 0.0883(4) 0.0605(19) Uani 1 1 d . . .
H52 H 0.5265 -0.1690 0.0592 0.073 Uiso 1 1 calc R . .
C53 C 0.5052(7) -0.0383(4) 0.0953(3) 0.0489(15) Uani 1 1 d . . .
H53 H 0.4299 -0.0321 0.0709 0.059 Uiso 1 1 calc R . .
C54 C 0.3264(5) 0.1258(4) 0.1214(3) 0.0396(13) Uani 1 1 d . . .
C55 C 0.2789(7) 0.1328(6) 0.0593(4) 0.070(2) Uani 1 1 d . . .
H55 H 0.3330 0.1437 0.0302 0.084 Uiso 1 1 calc R . .
C56 C 0.1543(8) 0.1241(7) 0.0394(5) 0.086(3) Uani 1 1 d . . .
H56 H 0.1245 0.1302 -0.0026 0.103 Uiso 1 1 calc R . .
C57 C 0.0748(8) 0.1067(6) 0.0806(5) 0.078(3) Uani 1 1 d . . .
H57 H -0.0100 0.1001 0.0671 0.093 Uiso 1 1 calc R . .
C58 C 0.1189(7) 0.0988(6) 0.1422(5) 0.077(3) Uani 1 1 d . . .
H58 H 0.0642 0.0858 0.1706 0.093 Uiso 1 1 calc R . .
C59 C 0.2440(7) 0.1098(6) 0.1625(4) 0.0617(19) Uani 1 1 d . . .
H59 H 0.2728 0.1064 0.2051 0.074 Uiso 1 1 calc R . .
C60 C 0.7487(6) 0.2874(5) -0.0171(3) 0.0518(16) Uani 1 1 d . . .
C61 C 0.7985(7) 0.3264(6) -0.0657(4) 0.066(2) Uani 1 1 d . B .
H61 H 0.7865 0.3877 -0.0696 0.080 Uiso 1 1 calc R . .
C62 C 0.8646(9) 0.2766(8) -0.1076(5) 0.087(3) Uani 1 1 d . . .
C63A C 0.903(2) 0.3057(13) -0.1632(9) 0.103(7) Uani 0.560(17) 1 d P B 1
H63A H 0.8607 0.2683 -0.2003 0.154 Uiso 0.560(17) 1 calc PR B 1
H63B H 0.9911 0.2999 -0.1623 0.154 Uiso 0.560(17) 1 calc PR B 1
H63C H 0.8845 0.3686 -0.1647 0.154 Uiso 0.560(17) 1 calc PR B 1
C63B C 0.958(2) 0.1398(19) -0.1448(13) 0.112(10) Uani 0.440(17) 1 d P B 2
H63D H 0.9615 0.0760 -0.1399 0.167 Uiso 0.440(17) 1 calc PR B 2
H63E H 1.0408 0.1681 -0.1364 0.167 Uiso 0.440(17) 1 calc PR B 2
H63F H 0.9236 0.1458 -0.1876 0.167 Uiso 0.440(17) 1 calc PR B 2
C64 C 0.8825(9) 0.1842(8) -0.1004(4) 0.085(3) Uani 1 1 d . B .
C65 C 0.8352(7) 0.1441(6) -0.0525(4) 0.069(2) Uani 1 1 d . . .
H65 H 0.8488 0.0831 -0.0481 0.083 Uiso 1 1 calc R B .
C66 C 0.7662(6) 0.1961(5) -0.0103(3) 0.0491(16) Uani 1 1 d . B .
C67 C 0.0318(11) 0.0798(8) 0.3639(5) 0.102(3) Uani 1 1 d . . .
H67 H 0.0662 0.1408 0.3835 0.122 Uiso 1 1 calc R . .
Cl1 Cl 0.0231(3) 0.0141(3) 0.42251(17) 0.1296(12) Uani 1 1 d . . .
Cl2 Cl 0.1293(5) 0.0356(4) 0.3101(2) 0.193(2) Uani 1 1 d . . .
Cl3 Cl -0.1106(5) 0.0921(4) 0.3234(2) 0.185(2) Uani 1 1 d . . .
O1 O 0.5343(13) 0.8676(7) 0.2852(5) 0.185(5) Uani 1 1 d . . .
O2 O 0.3156(12) 0.8662(8) 0.3401(7) 0.193(5) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 P2 95.39(5) . . ?
P1 Pt1 S2 170.22(7) . . ?
P2 Pt1 S2 89.72(7) . . ?
P1 Pt1 S1 86.52(7) . . ?
P2 Pt1 S1 177.86(7) . . ?
S2 Pt1 S1 88.25(8) . . ?
P3 Pt2 P4 94.68(5) . . ?
P3 Pt2 S4 173.27(6) . . ?
P4 Pt2 S4 90.27(6) . . ?
P3 Pt2 S3 86.34(6) . . ?
P4 Pt2 S3 176.97(6) . . ?
S4 Pt2 S3 88.49(6) . . ?
C1 P1 C18 101.1(3) . . ?
C1 P1 C12 95.8(3) . . ?
C18 P1 C12 107.4(3) . . ?
C1 P1 Pt1 118.4(2) . . ?
C18 P1 Pt1 112.3(2) . . ?
C12 P1 Pt1 119.3(2) . . ?
C3 P2 C30 102.8(3) . . ?
C3 P2 C24 101.5(3) . . ?
C30 P2 C24 105.5(3) . . ?
C3 P2 Pt1 114.7(2) . . ?
C30 P2 Pt1 113.6(2) . . ?
C24 P2 Pt1 117.0(2) . . ?
C2 P3 C36 101.2(3) . . ?
C2 P3 C42 96.3(3) . . ?
C36 P3 C42 105.7(3) . . ?
C2 P3 Pt2 117.67(19) . . ?
C36 P3 Pt2 116.2(2) . . ?
C42 P3 Pt2 116.96(19) . . ?
C4 P4 C48 102.1(3) . . ?
C4 P4 C54 102.8(3) . . ?
C48 P4 C54 107.0(3) . . ?
C4 P4 Pt2 114.9(2) . . ?
C48 P4 Pt2 115.9(2) . . ?
C54 P4 Pt2 112.8(2) . . ?
C5 S1 Pt1 104.1(3) . . ?
C11 S2 Pt1 104.5(3) . . ?
C60 S3 Pt2 104.0(2) . . ?
C66 S4 Pt2 103.7(2) . . ?
C2 C1 P1 171.4(5) . . ?
C1 C2 P3 171.6(6) . . ?
C4 C3 P2 175.9(5) . . ?
C3 C4 P4 173.6(5) . . ?
C11 C5 C6 118.8(8) . . ?
C11 C5 S1 121.6(6) . . ?
C6 C5 S1 119.6(8) . . ?
C7 C6 C5 121.9(11) . . ?
C6 C7 C8A 135(2) . . ?
C6 C7 C9 119.7(10) . . ?
C8A C7 C9 106(2) . . ?
C10 C9 C7 120.1(10) . . ?
C10 C9 C8B 123.8(15) . . ?
C7 C9 C8B 116.1(13) . . ?
C9 C10 C11 119.4(11) . . ?
C5 C11 C10 120.2(8) . . ?
C5 C11 S2 120.7(6) . . ?
C10 C11 S2 119.1(8) . . ?
C17 C12 C13 120.6(7) . . ?
C17 C12 P1 120.5(6) . . ?
C13 C12 P1 118.3(6) . . ?
C12 C13 C14 120.0(9) . . ?
C15 C14 C13 120.2(10) . . ?
C16 C15 C14 120.3(9) . . ?
C15 C16 C17 121.0(10) . . ?
C12 C17 C16 117.9(9) . . ?
C23 C18 C19 117.7(8) . . ?
C23 C18 P1 122.5(6) . . ?
C19 C18 P1 119.8(6) . . ?
C20 C19 C18 121.4(10) . . ?
C21 C20 C19 121.1(10) . . ?
C20 C21 C22 119.1(10) . . ?
C21 C22 C23 121.6(12) . . ?
C18 C23 C22 119.1(10) . . ?
C25 C24 C29 118.5(6) . . ?
C25 C24 P2 123.0(5) . . ?
C29 C24 P2 118.5(5) . . ?
C24 C25 C26 121.8(7) . . ?
C27 C26 C25 119.4(8) . . ?
C28 C27 C26 119.5(8) . . ?
C27 C28 C29 121.3(9) . . ?
C28 C29 C24 119.6(8) . . ?
C31 C30 C35 119.3(6) . . ?
C31 C30 P2 119.5(5) . . ?
C35 C30 P2 121.1(5) . . ?
C32 C31 C30 121.0(7) . . ?
C31 C32 C33 120.3(8) . . ?
C34 C33 C32 120.0(8) . . ?
C33 C34 C35 119.3(8) . . ?
C30 C35 C34 120.0(7) . . ?
C41 C36 C37 118.7(6) . . ?
C41 C36 P3 123.4(5) . . ?
C37 C36 P3 118.0(5) . . ?
C38 C37 C36 119.5(7) . . ?
C39 C38 C37 120.5(8) . . ?
C40 C39 C38 120.2(8) . . ?
C39 C40 C41 120.5(8) . . ?
C36 C41 C40 120.4(8) . . ?
C43 C42 C47 120.2(6) . . ?
C43 C42 P3 122.5(5) . . ?
C47 C42 P3 117.0(5) . . ?
C42 C43 C44 120.0(7) . . ?
C43 C44 C45 121.1(8) . . ?
C46 C45 C44 118.2(7) . . ?
C45 C46 C47 121.3(8) . . ?
C42 C47 C46 119.1(7) . . ?
C53 C48 C49 119.1(6) . . ?
C53 C48 P4 121.7(5) . . ?
C49 C48 P4 119.1(5) . . ?
C48 C49 C50 120.3(7) . . ?
C51 C50 C49 119.8(8) . . ?
C52 C51 C50 119.7(7) . . ?
C51 C52 C53 121.4(7) . . ?
C48 C53 C52 119.7(7) . . ?
C59 C54 C55 117.3(6) . . ?
C59 C54 P4 123.7(5) . . ?
C55 C54 P4 118.9(5) . . ?
C56 C55 C54 121.7(8) . . ?
C57 C56 C55 119.9(9) . . ?
C56 C57 C58 119.8(8) . . ?
C57 C58 C59 120.2(8) . . ?
C54 C59 C58 121.0(8) . . ?
C66 C60 C61 120.0(7) . . ?
C66 C60 S3 120.6(5) . . ?
C61 C60 S3 119.4(6) . . ?
C62 C61 C60 121.8(8) . . ?
C61 C62 C64 118.1(8) . . ?
C61 C62 C63A 125.7(13) . . ?
C64 C62 C63A 115.6(12) . . ?
C65 C64 C62 121.4(8) . . ?
C65 C64 C63B 125.1(14) . . ?
C62 C64 C63B 113.4(14) . . ?
C64 C65 C66 119.7(8) . . ?
C60 C66 C65 119.1(7) . . ?
C60 C66 S4 121.9(5) . . ?
C65 C66 S4 119.0(6) . . ?
Cl1 C67 Cl3 111.9(7) . . ?
Cl1 C67 Cl2 111.6(7) . . ?
Cl3 C67 Cl2 109.1(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
Pt1 P1 2.2598(17) . ?
Pt1 P2 2.2801(15) . ?
Pt1 S2 2.2950(19) . ?
Pt1 S1 2.3063(18) . ?
Pt2 P3 2.2577(15) . ?
Pt2 P4 2.2788(15) . ?
Pt2 S4 2.3023(15) . ?
Pt2 S3 2.3074(16) . ?
P1 C1 1.757(6) . ?
P1 C18 1.813(7) . ?
P1 C12 1.827(7) . ?
P2 C3 1.772(6) . ?
P2 C30 1.821(6) . ?
P2 C24 1.822(6) . ?
P3 C2 1.771(7) . ?
P3 C36 1.811(6) . ?
P3 C42 1.836(6) . ?
P4 C4 1.760(7) . ?
P4 C48 1.814(6) . ?
P4 C54 1.824(6) . ?
S1 C5 1.736(9) . ?
S2 C11 1.744(9) . ?
S3 C60 1.764(7) . ?
S4 C66 1.762(7) . ?
C1 C2 1.187(8) . ?
C3 C4 1.201(8) . ?
C5 C11 1.403(12) . ?
C5 C6 1.422(11) . ?
C6 C7 1.355(15) . ?
C7 C8A 1.36(3) . ?
C7 C9 1.422(19) . ?
C8B C9 1.471(17) . ?
C9 C10 1.409(16) . ?
C10 C11 1.413(12) . ?
C12 C17 1.376(10) . ?
C12 C13 1.377(11) . ?
C13 C14 1.385(12) . ?
C14 C15 1.360(16) . ?
C15 C16 1.358(16) . ?
C16 C17 1.412(12) . ?
C18 C23 1.348(12) . ?
C18 C19 1.369(10) . ?
C19 C20 1.366(13) . ?
C20 C21 1.308(16) . ?
C21 C22 1.336(16) . ?
C22 C23 1.397(14) . ?
C24 C25 1.354(9) . ?
C24 C29 1.384(10) . ?
C25 C26 1.382(10) . ?
C26 C27 1.362(13) . ?
C27 C28 1.356(13) . ?
C28 C29 1.378(11) . ?
C30 C31 1.369(9) . ?
C30 C35 1.386(9) . ?
C31 C32 1.357(10) . ?
C32 C33 1.382(12) . ?
C33 C34 1.374(13) . ?
C34 C35 1.396(11) . ?
C36 C41 1.380(9) . ?
C36 C37 1.400(10) . ?
C37 C38 1.386(10) . ?
C38 C39 1.366(12) . ?
C39 C40 1.355(13) . ?
C40 C41 1.383(11) . ?
C42 C43 1.366(8) . ?
C42 C47 1.377(9) . ?
C43 C44 1.373(11) . ?
C44 C45 1.379(12) . ?
C45 C46 1.373(11) . ?
C46 C47 1.384(10) . ?
C48 C53 1.368(8) . ?
C48 C49 1.383(9) . ?
C49 C50 1.387(10) . ?
C50 C51 1.370(12) . ?
C51 C52 1.347(11) . ?
C52 C53 1.386(9) . ?
C54 C59 1.362(9) . ?
C54 C55 1.378(10) . ?
C55 C56 1.367(11) . ?
C56 C57 1.345(13) . ?
C57 C58 1.362(13) . ?
C58 C59 1.374(10) . ?
C60 C66 1.388(10) . ?
C60 C61 1.399(10) . ?
C61 C62 1.371(13) . ?
C62 C64 1.408(14) . ?
C62 C63A 1.413(19) . ?
C63B C64 1.44(2) . ?
C64 C65 1.383(12) . ?
C65 C66 1.410(10) . ?
C67 Cl1 1.684(11) . ?
C67 Cl3 1.708(12) . ?
C67 Cl2 1.737(12) . ?
