#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:34:00 +0100 (vie 25 de mar de 2016) $
#$Revision: 179796 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/92/7009202.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_7009202
loop_
_publ_author_name
'Li, Zhaohui'
'Loh, Zhi-Heng'
'Audi Fong, S.-W.'
'Yan, Yaw-Kai'
'Henderson, William'
'Mok, K. F.'
'Hor, T. S. Andy'
_publ_section_title
;
 Ligand-stabilization of an unusual square-based pyramidal geometry of
 Cd(II) and Zn(II) in an heterometallic {MPt2S2} core
 (M = Cd, Zn)
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1027
_journal_paper_doi               10.1039/a909254d
_journal_year                    2000
_chemical_formula_sum            'C82 H68 Cd Cl F6 N2 P5 Pt2 S2'
_chemical_formula_weight         1952.38
_chemical_name_systematic
; 
 ? 
;
_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                83.110(1)
_cell_angle_beta                 88.390(1)
_cell_angle_gamma                82.842(1)
_cell_formula_units_Z            4
_cell_length_a                   14.5256(5)
_cell_length_b                   20.1188(7)
_cell_length_c                   29.3002(11)
_cell_measurement_temperature    293(2)
_cell_volume                     8433.8(5)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens 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 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            67852
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    3.790
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_type   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Rectangular plate in capillary'
_exptl_crystal_F_000             3824
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.244
_refine_diff_density_min         -1.617
_refine_diff_density_rms         0.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1759
_refine_ls_number_reflns         33714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.058
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0647P)²+15.8682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1301
_reflns_number_gt                26677
_reflns_number_total             33714
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a909254d.txt
_cod_data_source_block           '_[Pt2(PPh3)4((3-S)2CdCl(bipy)][PF6]'
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        8433.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009202
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
Pt1A Pt -0.319910(15) -0.239820(12) 0.219190(8) 0.030 Uani 1 1 d . . .
Pt2A Pt -0.237326(17) -0.174738(12) 0.121016(8) 0.034 Uani 1 1 d . . .
Cd1A Cd -0.17153(3) -0.12664(3) 0.214754(19) 0.044 Uani 1 1 d . . .
Cl1A Cl -0.19097(14) -0.11236(11) 0.29710(7) 0.059 Uani 1 1 d . . .
S1A S -0.17082(11) -0.24463(8) 0.18480(6) 0.036 Uani 1 1 d . . .
S2A S -0.33454(11) -0.13035(8) 0.17936(5) 0.034 Uani 1 1 d . . .
P1A P -0.27503(12) -0.34815(8) 0.25146(6) 0.037 Uani 1 1 d . . .
P2A P -0.46479(11) -0.22559(9) 0.25144(6) 0.035 Uani 1 1 d . . .
P3A P -0.33155(13) -0.10351(9) 0.06935(6) 0.039 Uani 1 1 d . . .
P4A P -0.12566(13) -0.22365(10) 0.07437(6) 0.045 Uani 1 1 d . . .
N1A N -0.0070(4) -0.1358(4) 0.2151(3) 0.060 Uani 1 1 d . . .
N2A N -0.1165(5) -0.0255(3) 0.1811(2) 0.054 Uani 1 1 d . . .
C1A C -0.2677(5) -0.4111(3) 0.2110(3) 0.046 Uani 1 1 d . . .
C2A C -0.2764(6) -0.3917(4) 0.1648(3) 0.061 Uani 1 1 d . . .
H2A H -0.2857 -0.3463 0.1532 0.073 Uiso 1 1 calc R . .
C3A C -0.2711(8) -0.4416(6) 0.1354(4) 0.091 Uani 1 1 d . . .
H3A H -0.2769 -0.4285 0.1039 0.109 Uiso 1 1 calc R . .
C4A C -0.2578(7) -0.5081(5) 0.1505(4) 0.091 Uani 1 1 d . . .
H4A H -0.2551 -0.5402 0.1300 0.109 Uiso 1 1 calc R . .
C5A C -0.2486(6) -0.5267(5) 0.1958(4) 0.078 Uani 1 1 d . . .
H5A H -0.2385 -0.5723 0.2067 0.093 Uiso 1 1 calc R . .
C6A C -0.2537(6) -0.4796(4) 0.2266(4) 0.064 Uani 1 1 d . . .
H6A H -0.2478 -0.4936 0.2579 0.077 Uiso 1 1 calc R . .
C7A C -0.1583(5) -0.3517(3) 0.2735(2) 0.041 Uani 1 1 d . . .
C8A C -0.0854(6) -0.3970(4) 0.2613(4) 0.068 Uani 1 1 d . . .
H8A H -0.0939 -0.4272 0.2405 0.082 Uiso 1 1 calc R . .
C9A C 0.0020(7) -0.3970(5) 0.2807(5) 0.097 Uani 1 1 d . . .
H9A H 0.0513 -0.4276 0.2725 0.116 Uiso 1 1 calc R . .
C10A C 0.0161(7) -0.3542(5) 0.3105(4) 0.085 Uani 1 1 d . . .
H10A H 0.0738 -0.3569 0.3240 0.102 Uiso 1 1 calc R . .
C11A C -0.0534(6) -0.3070(5) 0.3212(3) 0.070 Uani 1 1 d . . .
H11A H -0.0425 -0.2760 0.3410 0.085 Uiso 1 1 calc R . .
C12A C -0.1407(6) -0.3048(4) 0.3027(3) 0.057 Uani 1 1 d . . .
H12A H -0.1880 -0.2719 0.3099 0.069 Uiso 1 1 calc R . .
C13A C -0.3388(5) -0.3889(3) 0.3003(3) 0.045 Uani 1 1 d . . .
C14A C -0.4195(6) -0.4150(4) 0.2912(3) 0.061 Uani 1 1 d . . .
H14A H -0.4403 -0.4119 0.2612 0.073 Uiso 1 1 calc R . .
C15A C -0.4695(7) -0.4463(5) 0.3278(4) 0.082 Uani 1 1 d . . .
H15A H -0.5240 -0.4637 0.3222 0.098 Uiso 1 1 calc R . .
C16A C -0.4371(9) -0.4511(5) 0.3716(4) 0.091 Uani 1 1 d . . .
H16A H -0.4695 -0.4726 0.3957 0.109 Uiso 1 1 calc R . .
C17A C -0.3592(8) -0.4251(5) 0.3805(3) 0.084 Uani 1 1 d . . .
H17A H -0.3391 -0.4280 0.4106 0.100 Uiso 1 1 calc R . .
C18A C -0.3094(7) -0.3944(4) 0.3452(3) 0.064 Uani 1 1 d . . .
H18A H -0.2553 -0.3771 0.3516 0.077 Uiso 1 1 calc R . .
C19A C -0.5434(5) -0.2813(3) 0.2323(3) 0.044 Uani 1 1 d . . .
C20A C -0.5152(6) -0.3151(4) 0.1951(3) 0.055 Uani 1 1 d . . .
H20A H -0.4581 -0.3089 0.1811 0.066 Uiso 1 1 calc R . .
C21A C -0.5699(7) -0.3582(4) 0.1781(3) 0.068 Uani 1 1 d . . .
H21A H -0.5495 -0.3801 0.1528 0.082 Uiso 1 1 calc R . .
C22A C -0.6518(7) -0.3683(5) 0.1979(4) 0.085 Uani 1 1 d . . .
H22A H -0.6878 -0.3977 0.1867 0.102 Uiso 1 1 calc R . .
C23A C -0.6840(6) -0.3337(5) 0.2366(4) 0.081 Uani 1 1 d . . .
H23A H -0.7409 -0.3405 0.2506 0.097 Uiso 1 1 calc R . .
C24A C -0.6293(5) -0.2903(4) 0.2526(3) 0.055 Uani 1 1 d . . .
H24A H -0.6501 -0.2668 0.2772 0.066 Uiso 1 1 calc R . .
C25A C -0.4552(5) -0.2351(4) 0.3139(2) 0.043 Uani 1 1 d . . .
C26A C -0.5111(5) -0.2694(4) 0.3448(3) 0.054 Uani 1 1 d . . .
H26A H -0.5581 -0.2911 0.3345 0.065 Uiso 1 1 calc R . .
C27A C -0.4957(7) -0.2712(5) 0.3927(3) 0.072 Uani 1 1 d . . .
H27A H -0.5325 -0.2946 0.4139 0.086 Uiso 1 1 calc R . .
C28A C -0.4273(7) -0.2389(5) 0.4078(3) 0.074 Uani 1 1 d . . .
H28A H -0.4183 -0.2397 0.4392 0.089 Uiso 1 1 calc R . .
C29A C -0.3725(7) -0.2058(5) 0.3772(3) 0.073 Uani 1 1 d . . .
H29A H -0.3256 -0.1842 0.3877 0.087 Uiso 1 1 calc R . .
C30A C -0.3853(5) -0.2038(4) 0.3304(3) 0.055 Uani 1 1 d . . .
H30A H -0.3467 -0.1811 0.3098 0.066 Uiso 1 1 calc R . .
C31A C -0.5319(4) -0.1423(3) 0.2376(2) 0.041 Uani 1 1 d . . .
C32A C -0.5462(6) -0.0960(4) 0.2694(3) 0.064 Uani 1 1 d . . .
H32A H -0.5232 -0.1071 0.2990 0.077 Uiso 1 1 calc R . .
C33A C -0.5949(7) -0.0334(5) 0.2567(4) 0.083 Uani 1 1 d . . .
H33A H -0.6054 -0.0026 0.2782 0.100 Uiso 1 1 calc R . .
C34A C -0.6287(6) -0.0156(5) 0.2123(4) 0.078 Uani 1 1 d . . .
H34A H -0.6598 0.0272 0.2039 0.094 Uiso 1 1 calc R . .
C35A C -0.6159(6) -0.0611(5) 0.1813(3) 0.071 Uani 1 1 d . . .
H35A H -0.6400 -0.0501 0.1519 0.085 Uiso 1 1 calc R . .
C36A C -0.5666(5) -0.1244(4) 0.1937(3) 0.053 Uani 1 1 d . . .
H36A H -0.5568 -0.1551 0.1721 0.064 Uiso 1 1 calc R . .
C37A C -0.3482(5) -0.0150(3) 0.0810(2) 0.042 Uani 1 1 d . . .
C38A C -0.4113(5) 0.0054(4) 0.1148(3) 0.052 Uani 1 1 d . . .
H38A H -0.4458 -0.0259 0.1309 0.062 Uiso 1 1 calc R . .
C39A C -0.4235(6) 0.0713(4) 0.1247(3) 0.061 Uani 1 1 d . . .
H39A H -0.4650 0.0841 0.1477 0.074 Uiso 1 1 calc R . .
C40A C -0.3738(7) 0.1180(5) 0.1003(4) 0.078 Uani 1 1 d . . .
H40A H -0.3822 0.1625 0.1066 0.094 Uiso 1 1 calc R . .
C41A C -0.3129(8) 0.0994(5) 0.0671(3) 0.078 Uani 1 1 d . . .
H41A H -0.2799 0.1312 0.0505 0.093 Uiso 1 1 calc R . .
C42A C -0.2996(7) 0.0329(4) 0.0577(3) 0.063 Uani 1 1 d . . .
H42A H -0.2567 0.0205 0.0352 0.075 Uiso 1 1 calc R . .
C43A C -0.3035(6) -0.0966(4) 0.0074(2) 0.047 Uani 1 1 d . . .
C44A C -0.3667(7) -0.1055(5) -0.0252(3) 0.067 Uani 1 1 d . . .
H44A H -0.4259 -0.1150 -0.0160 0.080 Uiso 1 1 calc R . .
C45A C -0.3415(9) -0.1001(5) -0.0720(3) 0.090 Uani 1 1 d . . .
H45A H -0.3840 -0.1063 -0.0939 0.108 Uiso 1 1 calc R . .
C46A C -0.2550(9) -0.0859(6) -0.0854(3) 0.095 Uani 1 1 d . . .
H46A H -0.2389 -0.0818 -0.1164 0.114 Uiso 1 1 calc R . .
C47A C -0.1907(8) -0.0777(5) -0.0535(3) 0.082 Uani 1 1 d . . .
H47A H -0.1315 -0.0685 -0.0629 0.098 Uiso 1 1 calc R . .
C48A C -0.2150(6) -0.0831(4) -0.0073(3) 0.059 Uani 1 1 d . . .
H48A H -0.1715 -0.0776 0.0143 0.071 Uiso 1 1 calc R . .
C49A C -0.4505(5) -0.1262(4) 0.0718(3) 0.049 Uani 1 1 d . . .
C50A C -0.5250(6) -0.0803(5) 0.0571(3) 0.063 Uani 1 1 d . . .
H50A H -0.5155 -0.0359 0.0474 0.076 Uiso 1 1 calc R . .
C51A C -0.6149(7) -0.0987(6) 0.0563(4) 0.084 Uani 1 1 d . . .
H51A H -0.6653 -0.0670 0.0474 0.101 Uiso 1 1 calc R . .
C52A C -0.6257(7) -0.1655(6) 0.0691(4) 0.096 Uani 1 1 d . . .
H52A H -0.6843 -0.1792 0.0678 0.116 Uiso 1 1 calc R . .
C53A C -0.5527(7) -0.2124(5) 0.0837(4) 0.083 Uani 1 1 d . . .
H53A H -0.5623 -0.2569 0.0929 0.099 Uiso 1 1 calc R . .
C54A C -0.4646(6) -0.1932(4) 0.0847(3) 0.060 Uani 1 1 d . . .
H54A H -0.4147 -0.2251 0.0941 0.073 Uiso 1 1 calc R . .
C55A C -0.1671(7) -0.2550(4) 0.0241(3) 0.064 Uani 1 1 d . . .
C56A C -0.1215(14) -0.2569(11) -0.0162(5) 0.206 Uani 1 1 d . . .
H56A H -0.0652 -0.2393 -0.0210 0.247 Uiso 1 1 calc R . .
C57A C -0.1610(19) -0.2863(14) -0.0514(6) 0.262 Uani 1 1 d . . .
H57A H -0.1271 -0.2892 -0.0787 0.314 Uiso 1 1 calc R . .
C58A C -0.2390(14) -0.3088(9) -0.0487(5) 0.156 Uani 1 1 d . . .
H58A H -0.2611 -0.3298 -0.0720 0.187 Uiso 1 1 calc R . .
C59A C -0.2827(10) -0.3010(8) -0.0132(6) 0.150 Uani 1 1 d . . .
H59A H -0.3425 -0.3131 -0.0116 0.180 Uiso 1 1 calc R . .
C60A C -0.2516(8) -0.2753(6) 0.0256(5) 0.113 Uani 1 1 d . . .
H60A H -0.2890 -0.2726 0.0518 0.136 Uiso 1 1 calc R . .
C61A C -0.0499(6) -0.2970(4) 0.1025(3) 0.063 Uani 1 1 d . . .
C62A C -0.0677(8) -0.3624(5) 0.0992(4) 0.095 Uani 1 1 d . . .
H62A H -0.1167 -0.3702 0.0816 0.114 Uiso 1 1 calc R . .
C63A C -0.0122(11) -0.4159(6) 0.1222(5) 0.128 Uani 1 1 d . . .
H63A H -0.0247 -0.4597 0.1203 0.154 Uiso 1 1 calc R . .
C64A C 0.0599(10) -0.4059(7) 0.1475(5) 0.136 Uani 1 1 d . . .
H64A H 0.0987 -0.4424 0.1616 0.163 Uiso 1 1 calc R . .
C65A C 0.0748(9) -0.3427(8) 0.1520(4) 0.122 Uani 1 1 d . . .
H65A H 0.1227 -0.3356 0.1706 0.146 Uiso 1 1 calc R . .
C66A C 0.0213(7) -0.2882(6) 0.1299(4) 0.087 Uani 1 1 d . . .
H66A H 0.0334 -0.2448 0.1335 0.105 Uiso 1 1 calc R . .
C67A C -0.0388(5) -0.1673(4) 0.0568(3) 0.057 Uani 1 1 d . . .
C68A C -0.0408(6) -0.1082(5) 0.0758(3) 0.067 Uani 1 1 d . . .
H68A H -0.0893 -0.0951 0.0954 0.080 Uiso 1 1 calc R . .
C69A C 0.0293(8) -0.0678(6) 0.0659(4) 0.098 Uani 1 1 d . . .
H69A H 0.0295 -0.0293 0.0805 0.117 Uiso 1 1 calc R . .
C70A C 0.0965(9) -0.0833(7) 0.0356(5) 0.127 Uani 1 1 d . . .
H70A H 0.1431 -0.0558 0.0288 0.152 Uiso 1 1 calc R . .
C71A C 0.0957(11) -0.1402(9) 0.0149(7) 0.184 Uani 1 1 d . . .
H71A H 0.1374 -0.1487 -0.0090 0.220 Uiso 1 1 calc R . .
C72A C 0.0337(9) -0.1853(7) 0.0290(5) 0.132 Uani 1 1 d . . .
H72A H 0.0417 -0.2282 0.0195 0.158 Uiso 1 1 calc R . .
C73A C 0.0426(7) -0.1928(6) 0.2326(4) 0.092 Uani 1 1 d . . .
H73A H 0.0127 -0.2308 0.2410 0.110 Uiso 1 1 calc R . .
C74A C 0.1372(7) -0.1973(7) 0.2388(6) 0.134 Uani 1 1 d . . .
H74A H 0.1700 -0.2359 0.2540 0.160 Uiso 1 1 calc R . .
C75A C 0.1799(8) -0.1446(8) 0.2221(6) 0.141 Uani 1 1 d . . .
H75A H 0.2443 -0.1483 0.2224 0.169 Uiso 1 1 calc R . .
C76A C 0.1295(6) -0.0841(6) 0.2043(4) 0.098 Uani 1 1 d . . .
H76A H 0.1590 -0.0463 0.1947 0.118 Uiso 1 1 calc R . .
C77A C 0.0347(5) -0.0817(4) 0.2013(3) 0.056 Uani 1 1 d . . .
C78A C -0.0255(6) -0.0205(4) 0.1836(3) 0.054 Uani 1 1 d . . .
C79A C 0.0085(8) 0.0415(5) 0.1695(3) 0.077 Uani 1 1 d . . .
H79A H 0.0714 0.0448 0.1716 0.092 Uiso 1 1 calc R . .
C80A C -0.0512(9) 0.0971(6) 0.1526(4) 0.094 Uani 1 1 d . . .
H80A H -0.0293 0.1382 0.1435 0.113 Uiso 1 1 calc R . .
C81A C -0.1433(9) 0.0904(5) 0.1495(4) 0.092 Uani 1 1 d . . .
H81A H -0.1853 0.1268 0.1379 0.110 Uiso 1 1 calc R . .
C82A C -0.1728(7) 0.0286(5) 0.1639(3) 0.072 Uani 1 1 d . . .
H82A H -0.2355 0.0244 0.1615 0.086 Uiso 1 1 calc R . .
Pt1B Pt 0.189394(17) 0.187620(12) 0.379291(8) 0.033 Uani 1 1 d . . .
Pt2B Pt 0.309404(16) 0.253564(12) 0.293783(8) 0.032 Uani 1 1 d . . .
Cd1B Cd 0.16234(4) 0.14894(3) 0.275797(18) 0.044 Uani 1 1 d . . .
Cl1B Cl 0.19791(15) 0.14120(11) 0.19443(7) 0.061 Uani 1 1 d . . .
S1B S 0.30749(11) 0.14279(8) 0.32996(6) 0.035 Uani 1 1 d . . .
S2B S 0.14927(10) 0.26067(8) 0.31226(5) 0.034 Uani 1 1 d . . .
P1B P 0.25844(13) 0.11479(9) 0.43879(6) 0.041 Uani 1 1 d . . .
P2B P 0.06756(13) 0.24109(10) 0.41777(6) 0.043 Uani 1 1 d . . .
P3B P 0.27854(12) 0.36435(9) 0.26278(6) 0.038 Uani 1 1 d . . .
P4B P 0.46343(12) 0.23561(9) 0.27676(7) 0.046 Uani 1 1 d . . .
N1B N -0.0012(4) 0.1500(4) 0.2679(2) 0.058 Uani 1 1 d . . .
N2B N 0.1175(5) 0.0434(3) 0.3031(2) 0.056 Uani 1 1 d . . .
C1B C 0.2957(6) 0.0275(3) 0.4267(2) 0.049 Uani 1 1 d . . .
C2B C 0.3781(6) 0.0141(4) 0.4015(3) 0.054 Uani 1 1 d . . .
H2B H 0.4137 0.0487 0.3920 0.065 Uiso 1 1 calc R . .
C3B C 0.4061(7) -0.0501(4) 0.3907(3) 0.068 Uani 1 1 d . . .
H3B H 0.4605 -0.0582 0.3737 0.082 Uiso 1 1 calc R . .
C4B C 0.3559(7) -0.1022(4) 0.4046(3) 0.076 Uani 1 1 d . . .
H4B H 0.3758 -0.1453 0.3969 0.091 Uiso 1 1 calc R . .
C5B C 0.2749(8) -0.0904(4) 0.4301(3) 0.076 Uani 1 1 d . . .
H5B H 0.2406 -0.1257 0.4398 0.092 Uiso 1 1 calc R . .
C6B C 0.2446(7) -0.0254(4) 0.4414(3) 0.062 Uani 1 1 d . . .
H6B H 0.1905 -0.0176 0.4586 0.074 Uiso 1 1 calc R . .
C7B C 0.1934(6) 0.1032(4) 0.4926(2) 0.055 Uani 1 1 d . . .
C8B C 0.2286(9) 0.1126(5) 0.5349(3) 0.088 Uani 1 1 d . . .
H8B H 0.2873 0.1259 0.5368 0.106 Uiso 1 1 calc R . .
C9B C 0.1725(13) 0.1014(8) 0.5748(4) 0.137 Uani 1 1 d . . .
H9B H 0.1942 0.1078 0.6033 0.165 Uiso 1 1 calc R . .
C10B C 0.0882(13) 0.0817(8) 0.5717(5) 0.151 Uani 1 1 d . . .
H10B H 0.0534 0.0732 0.5985 0.181 Uiso 1 1 calc R . .
C11B C 0.0528(10) 0.0738(6) 0.5314(4) 0.111 Uani 1 1 d . . .
H11B H -0.0067 0.0617 0.5302 0.133 Uiso 1 1 calc R . .
C12B C 0.1057(7) 0.0838(5) 0.4908(3) 0.075 Uani 1 1 d . . .
H12B H 0.0817 0.0774 0.4628 0.090 Uiso 1 1 calc R . .
C13B C 0.3686(5) 0.1406(4) 0.4545(2) 0.048 Uani 1 1 d . . .
C14B C 0.3943(5) 0.2021(4) 0.4373(3) 0.050 Uani 1 1 d . . .
H14B H 0.3552 0.2316 0.4174 0.060 Uiso 1 1 calc R . .
C15B C 0.4778(6) 0.2205(5) 0.4494(3) 0.071 Uani 1 1 d . . .
H15B H 0.4939 0.2628 0.4382 0.086 Uiso 1 1 calc R . .
C16B C 0.5373(7) 0.1769(6) 0.4777(4) 0.082 Uani 1 1 d . . .
H16B H 0.5939 0.1893 0.4855 0.099 Uiso 1 1 calc R . .
C17B C 0.5124(7) 0.1148(5) 0.4945(4) 0.085 Uani 1 1 d . . .
H17B H 0.5520 0.0850 0.5140 0.101 Uiso 1 1 calc R . .
C18B C 0.4304(7) 0.0968(4) 0.4826(3) 0.070 Uani 1 1 d . . .
H18B H 0.4150 0.0542 0.4935 0.083 Uiso 1 1 calc R . .
C19B C 0.0138(5) 0.3236(4) 0.3901(3) 0.052 Uani 1 1 d . . .
C20B C -0.0448(6) 0.3255(5) 0.3530(3) 0.073 Uani 1 1 d . . .
H20B H -0.0547 0.2856 0.3419 0.087 Uiso 1 1 calc R . .
C21B C -0.0884(7) 0.3865(7) 0.3326(4) 0.095 Uani 1 1 d . . .
H21B H -0.1308 0.3875 0.3092 0.114 Uiso 1 1 calc R . .
C22B C -0.0690(9) 0.4452(6) 0.3470(5) 0.114 Uani 1 1 d . . .
H22B H -0.0972 0.4863 0.3329 0.137 Uiso 1 1 calc R . .
C23B C -0.0112(11) 0.4441(6) 0.3804(5) 0.123 Uani 1 1 d . . .
H23B H 0.0023 0.4844 0.3896 0.148 Uiso 1 1 calc R . .
C24B C 0.0306(8) 0.3830(5) 0.4025(4) 0.085 Uani 1 1 d . . .
H24B H 0.0711 0.3835 0.4264 0.102 Uiso 1 1 calc R . .
C25B C 0.0988(5) 0.2610(4) 0.4741(2) 0.052 Uani 1 1 d . . .
C26B C 0.1821(6) 0.2870(4) 0.4765(3) 0.063 Uani 1 1 d . . .
H26B H 0.2194 0.2917 0.4502 0.075 Uiso 1 1 calc R . .
C27B C 0.2113(7) 0.3061(5) 0.5167(4) 0.082 Uani 1 1 d . . .
H27B H 0.2674 0.3238 0.5173 0.098 Uiso 1 1 calc R . .
C28B C 0.1586(10) 0.2993(7) 0.5554(4) 0.117 Uani 1 1 d . . .
H28B H 0.1780 0.3124 0.5826 0.140 Uiso 1 1 calc R . .
C29B C 0.0759(9) 0.2727(8) 0.5540(4) 0.117 Uani 1 1 d . . .
H29B H 0.0406 0.2665 0.5808 0.140 Uiso 1 1 calc R . .
C30B C 0.0443(7) 0.2552(6) 0.5135(3) 0.081 Uani 1 1 d . . .
H30B H -0.0132 0.2396 0.5129 0.097 Uiso 1 1 calc R . .
C31B C -0.0347(5) 0.1960(5) 0.4230(3) 0.058 Uani 1 1 d . . .
C32B C -0.1142(6) 0.2211(6) 0.4459(4) 0.084 Uani 1 1 d . . .
H32B H -0.1153 0.2601 0.4602 0.101 Uiso 1 1 calc R . .
C33B C -0.1916(8) 0.1872(8) 0.4471(5) 0.128 Uani 1 1 d . . .
H33B H -0.2443 0.2027 0.4634 0.153 Uiso 1 1 calc R . .
C34B C -0.1921(9) 0.1310(8) 0.4246(5) 0.129 Uani 1 1 d . . .
H34B H -0.2452 0.1094 0.4252 0.155 Uiso 1 1 calc R . .
C35B C -0.1161(8) 0.1074(7) 0.4019(4) 0.103 Uani 1 1 d . . .
H35B H -0.1165 0.0694 0.3867 0.124 Uiso 1 1 calc R . .
C36B C -0.0365(7) 0.1394(5) 0.4009(3) 0.071 Uani 1 1 d . . .
H36B H 0.0160 0.1224 0.3851 0.086 Uiso 1 1 calc R . .
C37B C 0.2645(5) 0.4213(3) 0.3078(3) 0.044 Uani 1 1 d . . .
C38B C 0.2645(6) 0.4909(4) 0.2965(3) 0.060 Uani 1 1 d . . .
H38B H 0.2688 0.5090 0.2659 0.073 Uiso 1 1 calc R . .
C39B C 0.2583(7) 0.5327(4) 0.3308(4) 0.074 Uani 1 1 d . . .
H39B H 0.2580 0.5790 0.3230 0.089 Uiso 1 1 calc R . .
C40B C 0.2525(8) 0.5070(5) 0.3759(4) 0.083 Uani 1 1 d . . .
H40B H 0.2488 0.5353 0.3989 0.099 Uiso 1 1 calc R . .
C41B C 0.2522(8) 0.4378(5) 0.3870(3) 0.084 Uani 1 1 d . . .
H41B H 0.2491 0.4195 0.4176 0.101 Uiso 1 1 calc R . .
C42B C 0.2565(6) 0.3960(4) 0.3523(3) 0.061 Uani 1 1 d . . .
H42B H 0.2538 0.3500 0.3598 0.073 Uiso 1 1 calc R . .
C43B C 0.3582(6) 0.4060(3) 0.2217(3) 0.053 Uani 1 1 d . . .
C44B C 0.3424(7) 0.4150(5) 0.1749(3) 0.072 Uani 1 1 d . . .
H44B H 0.2903 0.4003 0.1636 0.086 Uiso 1 1 calc R . .
C45B C 0.4040(9) 0.4457(5) 0.1449(4) 0.095 Uani 1 1 d . . .
H45B H 0.3933 0.4510 0.1135 0.114 Uiso 1 1 calc R . .
C46B C 0.4803(9) 0.4683(5) 0.1610(4) 0.098 Uani 1 1 d . . .
H46B H 0.5205 0.4898 0.1407 0.117 Uiso 1 1 calc R . .
C47B C 0.4972(7) 0.4591(5) 0.2068(4) 0.088 Uani 1 1 d . . .
H47B H 0.5498 0.4737 0.2177 0.106 Uiso 1 1 calc R . .
C48B C 0.4365(6) 0.4281(4) 0.2376(3) 0.064 Uani 1 1 d . . .
H48B H 0.4487 0.4222 0.2689 0.077 Uiso 1 1 calc R . .
C49B C 0.1700(5) 0.3751(3) 0.2317(2) 0.040 Uani 1 1 d . . .
C50B C 0.1570(6) 0.3299(4) 0.2004(3) 0.053 Uani 1 1 d . . .
H50B H 0.2038 0.2953 0.1960 0.063 Uiso 1 1 calc R . .
C51B C 0.0765(6) 0.3359(5) 0.1762(3) 0.067 Uani 1 1 d . . .
H51B H 0.0697 0.3059 0.1550 0.080 Uiso 1 1 calc R . .
C52B C 0.0051(7) 0.3861(5) 0.1831(3) 0.072 Uani 1 1 d . . .
H52B H -0.0498 0.3900 0.1668 0.086 Uiso 1 1 calc R . .
C53B C 0.0163(7) 0.4297(5) 0.2138(4) 0.081 Uani 1 1 d . . .
H53B H -0.0313 0.4638 0.2183 0.098 Uiso 1 1 calc R . .
C54B C 0.0965(6) 0.4246(4) 0.2386(3) 0.064 Uani 1 1 d . . .
H54B H 0.1016 0.4543 0.2601 0.076 Uiso 1 1 calc R . .
C55B C 0.4784(6) 0.2527(4) 0.2139(3) 0.062 Uani 1 1 d . . .
C56B C 0.4148(7) 0.2289(5) 0.1885(3) 0.068 Uani 1 1 d . . .
H56B H 0.3691 0.2055 0.2034 0.082 Uiso 1 1 calc R . .
C57B C 0.4174(10) 0.2394(6) 0.1405(4) 0.102 Uani 1 1 d . . .
H57B H 0.3730 0.2250 0.1230 0.123 Uiso 1 1 calc R . .
C58B C 0.4903(12) 0.2726(7) 0.1200(5) 0.130 Uani 1 1 d . . .
H58A H 0.4947 0.2795 0.0881 0.156 Uiso 1 1 calc R . .
C59B C 0.5562(10) 0.2957(6) 0.1460(5) 0.119 Uani 1 1 d . . .
H59B H 0.6040 0.3178 0.1319 0.142 Uiso 1 1 calc R . .
C60B C 0.5481(8) 0.2849(5) 0.1919(4) 0.095 Uani 1 1 d . . .
H60B H 0.5916 0.2998 0.2097 0.114 Uiso 1 1 calc R . .
C61B C 0.5380(5) 0.2837(4) 0.3055(3) 0.062 Uani 1 1 d . . .
C62B C 0.6325(7) 0.2740(7) 0.3002(5) 0.120 Uani 1 1 d . . .
H62B H 0.6595 0.2441 0.2803 0.144 Uiso 1 1 calc R . .
C63B C 0.6881(9) 0.3086(8) 0.3243(7) 0.162 Uani 1 1 d . . .
H63B H 0.7523 0.3004 0.3214 0.194 Uiso 1 1 calc R . .
C64B C 0.6504(10) 0.3537(8) 0.3517(6) 0.137 Uani 1 1 d . . .
H64B H 0.6880 0.3792 0.3657 0.164 Uiso 1 1 calc R . .
C65B C 0.5563(8) 0.3623(5) 0.3590(4) 0.092 Uani 1 1 d . . .
H65B H 0.5302 0.3914 0.3795 0.110 Uiso 1 1 calc R . .
C66B C 0.5002(6) 0.3272(4) 0.3356(3) 0.060 Uani 1 1 d . . .
H66B H 0.4363 0.3331 0.3405 0.072 Uiso 1 1 calc R . .
C67B C 0.5240(5) 0.1508(4) 0.2913(3) 0.053 Uani 1 1 d . . .
C68B C 0.5510(6) 0.1085(4) 0.2580(4) 0.071 Uani 1 1 d . . .
H68B H 0.5369 0.1219 0.2272 0.086 Uiso 1 1 calc R . .
C69B C 0.6001(7) 0.0449(5) 0.2720(4) 0.088 Uani 1 1 d . . .
H69B H 0.6170 0.0158 0.2500 0.105 Uiso 1 1 calc R . .
C70B C 0.6238(7) 0.0242(5) 0.3165(5) 0.097 Uani 1 1 d . . .
H70B H 0.6590 -0.0173 0.3245 0.117 Uiso 1 1 calc R . .
C71B C 0.5951(7) 0.0655(5) 0.3494(4) 0.087 Uani 1 1 d . . .
H71B H 0.6091 0.0512 0.3801 0.104 Uiso 1 1 calc R . .
C72B C 0.5455(6) 0.1284(5) 0.3375(4) 0.075 Uani 1 1 d . . .
H72B H 0.5264 0.1559 0.3602 0.090 Uiso 1 1 calc R . .
C73B C -0.0565(6) 0.2044(5) 0.2503(4) 0.073 Uani 1 1 d . . .
H73B H -0.0303 0.2441 0.2420 0.087 Uiso 1 1 calc R . .
C74B C -0.1498(7) 0.2052(6) 0.2439(4) 0.095 Uani 1 1 d . . .
H74B H -0.1863 0.2442 0.2317 0.114 Uiso 1 1 calc R . .
C75B C -0.1870(7) 0.1464(7) 0.2559(5) 0.107 Uani 1 1 d . . .
H75B H -0.2500 0.1449 0.2519 0.128 Uiso 1 1 calc R . .
C76B C -0.1310(6) 0.0887(6) 0.2743(4) 0.086 Uani 1 1 d . . .
H76B H -0.1561 0.0487 0.2830 0.103 Uiso 1 1 calc R . .
C77B C -0.0366(5) 0.0921(5) 0.2793(3) 0.056 Uani 1 1 d . . .
C78B C 0.0293(6) 0.0327(4) 0.2977(2) 0.055 Uani 1 1 d . . .
C79B C 0.0034(7) -0.0324(5) 0.3079(3) 0.073 Uani 1 1 d . . .
H79B H -0.0577 -0.0397 0.3039 0.088 Uiso 1 1 calc R . .
C80B C 0.0676(9) -0.0851(6) 0.3235(3) 0.090 Uani 1 1 d . . .
H80B H 0.0507 -0.1284 0.3298 0.108 Uiso 1 1 calc R . .
C81B C 0.1570(8) -0.0738(5) 0.3299(3) 0.087 Uani 1 1 d . . .
H81B H 0.2015 -0.1088 0.3412 0.104 Uiso 1 1 calc R . .
C82B C 0.1793(7) -0.0088(5) 0.3192(3) 0.074 Uani 1 1 d . . .
H82B H 0.2400 -0.0009 0.3233 0.088 Uiso 1 1 calc R . .
P5A P -0.1675(3) 0.29664(19) 0.08760(14) 0.103 Uani 1 1 d . . .
F1A F -0.2565(7) 0.3486(5) 0.0786(4) 0.171 Uiso 1 1 d . . .
F2A F -0.1140(9) 0.3614(7) 0.0887(4) 0.217 Uiso 1 1 d . . .
F3A F -0.2270(11) 0.2428(8) 0.1011(5) 0.251 Uiso 1 1 d . . .
F4A F -0.1399(10) 0.3064(7) 0.0360(5) 0.241 Uiso 1 1 d . . .
F5A F -0.0777(12) 0.2564(8) 0.1039(6) 0.270 Uiso 1 1 d . . .
F6A F -0.1925(12) 0.3094(9) 0.1385(6) 0.281 Uiso 1 1 d . . .
P5B P -0.7899(2) -0.28115(14) 0.39737(14) 0.088 Uani 1 1 d . . .
F1B F -0.7056(7) -0.3367(5) 0.4013(3) 0.159 Uiso 1 1 d . . .
F2B F -0.7919(10) -0.3023(7) 0.3459(5) 0.225 Uiso 1 1 d . . .
F3B F -0.7315(6) -0.2251(4) 0.3733(3) 0.128 Uiso 1 1 d . . .
F4B F -0.8544(7) -0.3346(5) 0.4083(3) 0.155 Uiso 1 1 d . . .
F5B F -0.8734(9) -0.2275(7) 0.3906(5) 0.220 Uiso 1 1 d . . .
F6B F -0.7674(14) -0.2658(10) 0.4405(7) 0.326 Uiso 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2A Pt1A P1A 98.36(6) . . ?
P2A Pt1A S2A 93.60(6) . . ?
P1A Pt1A S2A 168.02(6) . . ?
P2A Pt1A S1A 175.22(6) . . ?
P1A Pt1A S1A 86.12(6) . . ?
S2A Pt1A S1A 81.91(5) . . ?
P2A Pt1A Cd1A 123.82(4) . . ?
P1A Pt1A Cd1A 119.44(4) . . ?
S2A Pt1A Cd1A 51.86(4) . . ?
S1A Pt1A Cd1A 51.89(4) . . ?
P4A Pt2A P3A 102.83(7) . . ?
P4A Pt2A S1A 89.45(6) . . ?
P3A Pt2A S1A 167.00(6) . . ?
P4A Pt2A S2A 170.30(6) . . ?
P3A Pt2A S2A 86.38(6) . . ?
S1A Pt2A S2A 81.62(5) . . ?
P4A Pt2A Cd1A 117.96(5) . . ?
P3A Pt2A Cd1A 121.81(5) . . ?
S1A Pt2A Cd1A 53.43(4) . . ?
S2A Pt2A Cd1A 53.29(4) . . ?
N2A Cd1A N1A 68.5(2) . . ?
N2A Cd1A Cl1A 104.28(16) . . ?
N1A Cd1A Cl1A 94.91(18) . . ?
N2A Cd1A S2A 107.09(16) . . ?
N1A Cd1A S2A 155.53(18) . . ?
Cl1A Cd1A S2A 109.35(6) . . ?
N2A Cd1A S1A 131.69(16) . . ?
N1A Cd1A S1A 92.72(17) . . ?
Cl1A Cd1A S1A 121.93(6) . . ?
S2A Cd1A S1A 72.05(5) . . ?
N2A Cd1A Pt2A 97.17(15) . . ?
N1A Cd1A Pt2A 109.25(18) . . ?
Cl1A Cd1A Pt2A 152.34(5) . . ?
S2A Cd1A Pt2A 46.46(4) . . ?
S1A Cd1A Pt2A 46.00(4) . . ?
N2A Cd1A Pt1A 151.23(15) . . ?
N1A Cd1A Pt1A 132.89(17) . . ?
Cl1A Cd1A Pt1A 93.72(5) . . ?
S2A Cd1A Pt1A 44.85(4) . . ?
S1A Cd1A Pt1A 44.96(3) . . ?
Pt2A Cd1A Pt1A 60.065(10) . . ?
Pt2A S1A Pt1A 88.05(5) . . ?
Pt2A S1A Cd1A 80.57(5) . . ?
Pt1A S1A Cd1A 83.15(5) . . ?
Pt1A S2A Pt2A 87.70(5) . . ?
Pt1A S2A Cd1A 83.29(5) . . ?
Pt2A S2A Cd1A 80.25(5) . . ?
C7A P1A C1A 105.8(3) . . ?
C7A P1A C13A 103.3(3) . . ?
C1A P1A C13A 101.8(3) . . ?
C7A P1A Pt1A 107.9(2) . . ?
C1A P1A Pt1A 114.3(3) . . ?
C13A P1A Pt1A 122.2(2) . . ?
C25A P2A C31A 104.2(3) . . ?
C25A P2A C19A 112.0(3) . . ?
C31A P2A C19A 101.4(3) . . ?
C25A P2A Pt1A 109.3(2) . . ?
C31A P2A Pt1A 116.1(2) . . ?
C19A P2A Pt1A 113.3(2) . . ?
C49A P3A C37A 103.0(3) . . ?
C49A P3A C43A 103.0(3) . . ?
C37A P3A C43A 102.8(3) . . ?
C49A P3A Pt2A 111.2(2) . . ?
C37A P3A Pt2A 114.4(2) . . ?
C43A P3A Pt2A 120.5(2) . . ?
C55A P4A C67A 109.5(4) . . ?
C55A P4A C61A 103.5(4) . . ?
C67A P4A C61A 99.8(4) . . ?
C55A P4A Pt2A 116.2(3) . . ?
C67A P4A Pt2A 111.2(3) . . ?
C61A P4A Pt2A 115.3(3) . . ?
C77A N1A C73A 120.1(8) . . ?
C77A N1A Cd1A 119.2(6) . . ?
C73A N1A Cd1A 120.5(6) . . ?
C82A N2A C78A 118.7(7) . . ?
C82A N2A Cd1A 122.9(6) . . ?
C78A N2A Cd1A 118.1(5) . . ?
C2A C1A C6A 118.7(7) . . ?
C2A C1A P1A 120.7(6) . . ?
C6A C1A P1A 120.6(6) . . ?
C1A C2A C3A 118.5(9) . . ?
C4A C3A C2A 122.9(11) . . ?
C5A C4A C3A 118.3(9) . . ?
C4A C5A C6A 121.3(10) . . ?
C5A C6A C1A 120.3(10) . . ?
C8A C7A C12A 118.3(7) . . ?
C8A C7A P1A 122.8(6) . . ?
C12A C7A P1A 118.8(6) . . ?
C7A C8A C9A 119.0(8) . . ?
C10A C9A C8A 121.7(10) . . ?
C9A C10A C11A 120.2(9) . . ?
C10A C11A C12A 120.0(9) . . ?
C11A C12A C7A 120.6(8) . . ?
C18A C13A C14A 119.1(7) . . ?
C18A C13A P1A 122.8(6) . . ?
C14A C13A P1A 118.1(6) . . ?
C13A C14A C15A 119.3(9) . . ?
C16A C15A C14A 119.4(10) . . ?
C17A C16A C15A 121.2(9) . . ?
C16A C17A C18A 120.2(10) . . ?
C17A C18A C13A 120.7(9) . . ?
C20A C19A C24A 118.8(7) . . ?
C20A C19A P2A 117.3(6) . . ?
C24A C19A P2A 123.9(6) . . ?
C19A C20A C21A 121.5(8) . . ?
C22A C21A C20A 120.2(9) . . ?
C21A C22A C23A 120.0(9) . . ?
C24A C23A C22A 119.0(8) . . ?
C23A C24A C19A 120.4(8) . . ?
C26A C25A C30A 119.1(7) . . ?
C26A C25A P2A 125.8(6) . . ?
C30A C25A P2A 115.1(5) . . ?
C25A C26A C27A 119.0(8) . . ?
C28A C27A C26A 120.4(8) . . ?
C29A C28A C27A 120.1(9) . . ?
C28A C29A C30A 120.7(9) . . ?
C29A C30A C25A 120.6(8) . . ?
C36A C31A C32A 119.2(7) . . ?
C36A C31A P2A 118.9(6) . . ?
C32A C31A P2A 121.9(6) . . ?
C33A C32A C31A 119.4(9) . . ?
C32A C33A C34A 121.0(9) . . ?
C35A C34A C33A 119.6(8) . . ?
C34A C35A C36A 119.9(9) . . ?
C31A C36A C35A 120.9(8) . . ?
C42A C37A C38A 117.6(7) . . ?
C42A C37A P3A 122.3(6) . . ?
C38A C37A P3A 120.2(6) . . ?
C39A C38A C37A 121.0(8) . . ?
C40A C39A C38A 119.6(8) . . ?
C41A C40A C39A 120.3(9) . . ?
C40A C41A C42A 120.1(9) . . ?
C37A C42A C41A 121.5(8) . . ?
C44A C43A C48A 118.6(7) . . ?
C44A C43A P3A 122.4(7) . . ?
C48A C43A P3A 118.9(6) . . ?
C43A C44A C45A 120.2(10) . . ?
C46A C45A C44A 119.9(10) . . ?
C45A C46A C47A 120.9(9) . . ?
C46A C47A C48A 119.5(10) . . ?
C47A C48A C43A 120.9(9) . . ?
C50A C49A C54A 118.9(7) . . ?
C50A C49A P3A 121.7(6) . . ?
C54A C49A P3A 119.2(6) . . ?
C49A C50A C51A 121.7(9) . . ?
C52A C51A C50A 117.5(9) . . ?
C53A C52A C51A 122.0(9) . . ?
C52A C53A C54A 119.7(10) . . ?
C53A C54A C49A 120.2(8) . . ?
C60A C55A C56A 115.8(11) . . ?
C60A C55A P4A 118.9(8) . . ?
C56A C55A P4A 125.2(10) . . ?
C55A C56A C57A 118.3(16) . . ?
C58A C57A C56A 125.1(17) . . ?
C59A C58A C57A 115.1(15) . . ?
C58A C59A C60A 126.5(16) . . ?
C55A C60A C59A 118.6(13) . . ?
C66A C61A C62A 118.0(10) . . ?
C66A C61A P4A 120.8(8) . . ?
C62A C61A P4A 121.0(8) . . ?
C63A C62A C61A 119.5(13) . . ?
C64A C63A C62A 121.2(14) . . ?
C65A C64A C63A 119.1(12) . . ?
C64A C65A C66A 121.5(14) . . ?
C61A C66A C65A 120.5(12) . . ?
C72A C67A C68A 118.4(9) . . ?
C72A C67A P4A 121.7(8) . . ?
C68A C67A P4A 119.6(6) . . ?
C67A C68A C69A 120.2(9) . . ?
C70A C69A C68A 121.0(11) . . ?
C69A C70A C71A 118.8(11) . . ?
C70A C71A C72A 120.5(12) . . ?
C67A C72A C71A 120.0(12) . . ?
N1A C73A C74A 122.0(11) . . ?
C75A C74A C73A 117.8(12) . . ?
C74A C75A C76A 120.9(11) . . ?
C77A C76A C75A 118.2(10) . . ?
N1A C77A C76A 120.6(9) . . ?
N1A C77A C78A 116.5(7) . . ?
C76A C77A C78A 122.9(9) . . ?
N2A C78A C79A 120.1(9) . . ?
N2A C78A C77A 117.0(7) . . ?
C79A C78A C77A 122.9(8) . . ?
C80A C79A C78A 120.4(10) . . ?
C81A C80A C79A 118.4(10) . . ?
C80A C81A C82A 118.8(11) . . ?
N2A C82A C81A 123.6(10) . . ?
P2B Pt1B P1B 100.42(7) . . ?
P2B Pt1B S2B 89.78(6) . . ?
P1B Pt1B S2B 168.47(6) . . ?
P2B Pt1B S1B 171.72(6) . . ?
P1B Pt1B S1B 87.85(6) . . ?
S2B Pt1B S1B 81.96(5) . . ?
P2B Pt1B Cd1B 120.47(5) . . ?
P1B Pt1B Cd1B 124.85(5) . . ?
S2B Pt1B Cd1B 51.77(4) . . ?
S1B Pt1B Cd1B 53.40(4) . . ?
P4B Pt2B P3B 99.46(7) . . ?
P4B Pt2B S1B 92.70(6) . . ?
P3B Pt2B S1B 167.84(6) . . ?
P4B Pt2B S2B 174.40(6) . . ?
P3B Pt2B S2B 85.81(6) . . ?
S1B Pt2B S2B 82.05(5) . . ?
P4B Pt2B Cd1B 123.45(5) . . ?
P3B Pt2B Cd1B 118.42(5) . . ?
S1B Pt2B Cd1B 53.33(4) . . ?
S2B Pt2B Cd1B 51.57(4) . . ?
N2B Cd1B N1B 69.6(2) . . ?
N2B Cd1B Cl4B 104.05(17) . . ?
N1B Cd1B Cl4B 94.65(17) . . ?
N2B Cd1B S2B 131.44(17) . . ?
N1B Cd1B S2B 95.08(17) . . ?
Cl1B Cd1B S2B 123.42(7) . . ?
N2B Cd1B S1B 97.25(16) . . ?
N1B Cd1B S1B 149.13(17) . . ?
Cl1B Cd1B S1B 115.90(7) . . ?
S2B Cd1B S1B 72.40(5) . . ?
N2B Cd1B Pt1B 92.95(15) . . ?
N1B Cd1B Pt1B 105.39(16) . . ?
Cl1B Cd1B Pt1B 157.35(6) . . ?
S2B Cd1B Pt1B 45.51(4) . . ?
S1B Cd1B Pt1B 45.84(4) . . ?
N2B Cd1B Pt2B 142.33(15) . . ?
N1B Cd1B Pt2B 138.67(17) . . ?
Cl1B Cd1B Pt2B 98.15(5) . . ?
S2B Cd1B Pt2B 45.74(3) . . ?
S1B Cd1B Pt2B 45.28(3) . . ?
Pt1B Cd1B Pt2B 59.739(10) . . ?
Pt2B S1B Pt1B 87.12(5) . . ?
Pt2B S1B Cd1B 81.39(5) . . ?
Pt1B S1B Cd1B 80.77(5) . . ?
Pt1B S2B Pt2B 87.45(5) . . ?
Pt1B S2B Cd1B 82.72(5) . . ?
Pt2B S2B Cd1B 82.69(5) . . ?
C7B P1B C13B 105.2(4) . . ?
C7B P1B C1B 103.0(4) . . ?
C13B P1B C1B 101.1(3) . . ?
C7B P1B Pt1B 117.8(3) . . ?
C13B P1B Pt1B 111.4(2) . . ?
C1B P1B Pt1B 116.4(2) . . ?
C25B P2B C31B 110.1(4) . . ?
C25B P2B C19B 102.4(4) . . ?
C31B P2B C19B 99.2(4) . . ?
C25B P2B Pt1B 113.4(2) . . ?
C31B P2B Pt1B 113.5(3) . . ?
C19B P2B Pt1B 116.9(2) . . ?
C49B P3B C37B 107.5(3) . . ?
C49B P3B C43B 103.4(4) . . ?
C37B P3B C43B 101.9(3) . . ?
C49B P3B Pt2B 108.8(2) . . ?
C37B P3B Pt2B 111.4(2) . . ?
C43B P3B Pt2B 122.6(2) . . ?
C61B P4B C67B 99.6(4) . . ?
C61B P4B C55B 109.9(4) . . ?
C67B P4B C55B 104.3(4) . . ?
C61B P4B Pt2B 116.0(3) . . ?
C67B P4B Pt2B 118.1(2) . . ?
C55B P4B Pt2B 108.2(3) . . ?
C73B N1B C77B 119.4(7) . . ?
C73B N1B Cd1B 122.9(6) . . ?
C77B N1B Cd1B 117.6(6) . . ?
C82B N2B C78B 118.9(7) . . ?
C82B N2B Cd1B 121.9(6) . . ?
C78B N2B Cd1B 118.8(6) . . ?
C6B C1B C2B 118.9(7) . . ?
C6B C1B P1B 122.3(7) . . ?
C2B C1B P1B 118.8(6) . . ?
C3B C2B C1B 120.1(8) . . ?
C4B C3B C2B 121.5(10) . . ?
C3B C4B C5B 119.5(8) . . ?
C4B C5B C6B 120.1(9) . . ?
C1B C6B C5B 119.9(9) . . ?
C12B C7B C8B 119.5(8) . . ?
C12B C7B P1B 117.6(6) . . ?
C8B C7B P1B 122.9(7) . . ?
C7B C8B C9B 118.2(12) . . ?
C10B C9B C8B 120.5(12) . . ?
C11B C10B C9B 121.9(12) . . ?
C10B C11B C12B 120.0(13) . . ?
C7B C12B C11B 119.8(10) . . ?
C14B C13B C18B 118.3(7) . . ?
C14B C13B P1B 121.2(6) . . ?
C18B C13B P1B 120.5(6) . . ?
C13B C14B C15B 120.3(8) . . ?
C16B C15B C14B 120.6(9) . . ?
C15B C16B C17B 119.2(9) . . ?
C18B C17B C16B 120.0(9) . . ?
C17B C18B C13B 121.5(9) . . ?
C24B C19B C20B 117.1(9) . . ?
C24B C19B P2B 123.8(7) . . ?
C20B C19B P2B 119.0(7) . . ?
C21B C20B C19B 120.2(10) . . ?
C22B C21B C20B 119.7(11) . . ?
C23B C22B C21B 120.4(12) . . ?
C22B C23B C24B 120.7(13) . . ?
C19B C24B C23B 121.8(11) . . ?
C30B C25B C26B 117.9(8) . . ?
C30B C25B P2B 125.5(7) . . ?
C26B C25B P2B 116.5(6) . . ?
C27B C26B C25B 121.6(8) . . ?
C28B C27B C26B 120.2(10) . . ?
C27B C28B C29B 119.1(9) . . ?
C28B C29B C30B 121.4(10) . . ?
C29B C30B C25B 119.7(10) . . ?
C36B C31B C32B 118.9(8) . . ?
C36B C31B P2B 120.1(6) . . ?
C32B C31B P2B 120.8(7) . . ?
C33B C32B C31B 118.9(11) . . ?
C34B C33B C32B 121.2(12) . . ?
C35B C34B C33B 120.0(11) . . ?
C34B C35B C36B 120.3(12) . . ?
C31B C36B C35B 120.7(10) . . ?
C42B C37B C38B 119.3(7) . . ?
C42B C37B P3B 120.0(6) . . ?
C38B C37B P3B 120.7(6) . . ?
C39B C38B C37B 120.1(8) . . ?
C40B C39B C38B 120.7(8) . . ?
C39B C40B C41B 119.1(8) . . ?
C40B C41B C42B 120.0(9) . . ?
C37B C42B C41B 120.8(8) . . ?
C48B C43B C44B 118.5(8) . . ?
C48B C43B P3B 119.9(7) . . ?
C44B C43B P3B 121.5(7) . . ?
C43B C44B C45B 120.3(10) . . ?
C46B C45B C44B 120.7(11) . . ?
C47B C46B C45B 119.6(10) . . ?
C46B C47B C48B 120.6(11) . . ?
C43B C48B C47B 120.2(10) . . ?
C54B C49B C50B 117.4(7) . . ?
C54B C49B P3B 123.6(6) . . ?
C50B C49B P3B 118.9(5) . . ?
C51B C50B C49B 121.1(8) . . ?
C50B C51B C52B 120.4(8) . . ?
C53B C52B C51B 119.1(8) . . ?
C52B C53B C54B 121.5(9) . . ?
C53B C54B C49B 120.4(8) . . ?
C56B C55B C60B 119.6(10) . . ?
C56B C55B P4B 115.1(6) . . ?
C60B C55B P4B 125.2(9) . . ?
C55B C56B C57B 120.9(10) . . ?
C56B C57B C58B 116.8(13) . . ?
C59B C58B C57B 122.2(12) . . ?
C60B C59B C58B 117.4(12) . . ?
C59B C60B C55B 122.9(13) . . ?
C62B C61B C66B 118.6(8) . . ?
C62B C61B P4B 121.2(7) . . ?
C66B C61B P4B 120.1(6) . . ?
C61B C62B C63B 120.1(11) . . ?
C64B C63B C62B 120.8(12) . . ?
C63B C64B C65B 120.0(11) . . ?
C64B C65B C66B 119.6(11) . . ?
C61B C66B C65B 120.7(9) . . ?
C68B C67B C72B 119.2(8) . . ?
C68B C67B P4B 122.0(7) . . ?
C72B C67B P4B 118.9(6) . . ?
C67B C68B C69B 118.2(10) . . ?
C70B C69B C68B 122.6(10) . . ?
C69B C70B C71B 118.9(10) . . ?
C70B C71B C72B 120.8(11) . . ?
C71B C72B C67B 120.2(10) . . ?
N1B C73B C74B 123.6(10) . . ?
C75B C74B C73B 117.5(11) . . ?
C74B C75B C76B 120.2(10) . . ?
C75B C76B C77B 118.8(10) . . ?
N1B C77B C76B 120.5(9) . . ?
N1B C77B C78B 116.8(7) . . ?
C76B C77B C78B 122.7(8) . . ?
N2B C78B C79B 120.1(9) . . ?
N2B C78B C77B 116.9(7) . . ?
C79B C78B C77B 123.0(8) . . ?
C80B C79B C78B 120.2(9) . . ?
C79B C80B C81B 119.6(10) . . ?
C80B C81B C82B 118.0(10) . . ?
N2B C82B C81B 123.2(9) . . ?
F3A P5A F5A 96.4(8) . . ?
F3A P5A F4A 115.4(8) . . ?
F5A P5A F4A 96.3(8) . . ?
F3A P5A F1A 89.5(7) . . ?
F5A P5A F1A 167.5(8) . . ?
F4A P5A F1A 90.9(7) . . ?
F3A P5A F6A 79.5(8) . . ?
F5A P5A F6A 89.3(9) . . ?
F4A P5A F6A 163.2(9) . . ?
F1A P5A F6A 81.0(7) . . ?
F3A P5A F2A 161.7(8) . . ?
F5A P5A F2A 85.4(8) . . ?
F4A P5A F2A 82.3(7) . . ?
F1A P5A F2A 85.5(6) . . ?
F6A P5A F2A 82.4(8) . . ?
F6B P5B F4B 103.6(9) . . ?
F6B P5B F5B 95.6(9) . . ?
F4B P5B F5B 89.8(6) . . ?
F6B P5B F1B 87.8(9) . . ?
F4B P5B F1B 89.8(5) . . ?
F5B P5B F1B 176.6(7) . . ?
F6B P5B F3B 90.5(9) . . ?
F4B P5B F3B 165.7(5) . . ?
F5B P5B F3B 85.9(6) . . ?
F1B P5B F3B 93.7(5) . . ?
F6B P5B F2B 167.5(10) . . ?
F4B P5B F2B 83.6(6) . . ?
F5B P5B F2B 94.6(7) . . ?
F1B P5B F2B 82.0(6) . . ?
F3B P5B F2B 83.1(6) . . ?
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
Pt1A P2A 2.2819(16) . ?
Pt1A P1A 2.2924(17) . ?
Pt1A S2A 2.3533(16) . ?
Pt1A S1A 2.3586(15) . ?
Pt1A Cd1A 3.3141(5) . ?
Pt2A P4A 2.2952(18) . ?
Pt2A P3A 2.3077(17) . ?
Pt2A S1A 2.3527(16) . ?
Pt2A S2A 2.3729(16) . ?
Pt2A Cd1A 3.2263(6) . ?
Cd1A N2A 2.374(6) . ?
Cd1A N1A 2.374(6) . ?
Cd1A Cl1A 2.468(2) . ?
Cd1A S2A 2.6245(16) . ?
Cd1A S1A 2.6266(17) . ?
P1A C7A 1.822(7) . ?
P1A C1A 1.828(7) . ?
P1A C13A 1.847(7) . ?
P2A C25A 1.825(7) . ?
P2A C31A 1.837(7) . ?
P2A C19A 1.839(7) . ?
P3A C49A 1.839(8) . ?
P3A C37A 1.839(7) . ?
P3A C43A 1.842(7) . ?
P4A C55A 1.817(9) . ?
P4A C67A 1.823(8) . ?
P4A C61A 1.851(8) . ?
N1A C77A 1.327(10) . ?
N1A C73A 1.331(12) . ?
N2A C82A 1.332(11) . ?
N2A C78A 1.343(10) . ?
C1A C2A 1.368(11) . ?
C1A C6A 1.391(11) . ?
C2A C3A 1.393(12) . ?
C3A C4A 1.348(15) . ?
C4A C5A 1.343(15) . ?
C5A C6A 1.378(12) . ?
C7A C8A 1.377(10) . ?
C7A C12A 1.397(10) . ?
C8A C9A 1.405(12) . ?
C9A C10A 1.335(14) . ?
C10A C11A 1.355(13) . ?
C11A C12A 1.387(11) . ?
C13A C18A 1.382(11) . ?
C13A C14A 1.388(11) . ?
C14A C15A 1.408(12) . ?
C15A C16A 1.370(15) . ?
C16A C17A 1.348(15) . ?
C17A C18A 1.375(12) . ?
C19A C20A 1.378(11) . ?
C19A C24A 1.390(10) . ?
C20A C21A 1.390(10) . ?
C21A C22A 1.336(14) . ?
C22A C23A 1.436(15) . ?
C23A C24A 1.382(12) . ?
C25A C26A 1.380(10) . ?
C25A C30A 1.386(10) . ?
C26A C27A 1.422(12) . ?
C27A C28A 1.364(13) . ?
C28A C29A 1.353(13) . ?
C29A C30A 1.384(11) . ?
C31A C36A 1.386(10) . ?
C31A C32A 1.389(10) . ?
C32A C33A 1.380(12) . ?
C33A C34A 1.395(14) . ?
C34A C35A 1.357(14) . ?
C35A C36A 1.393(11) . ?
C37A C42A 1.369(10) . ?
C37A C38A 1.393(10) . ?
C38A C39A 1.381(11) . ?
C39A C40A 1.374(13) . ?
C40A C41A 1.351(14) . ?
C41A C42A 1.386(12) . ?
C43A C44A 1.385(11) . ?
C43A C48A 1.393(11) . ?
C44A C45A 1.406(12) . ?
C45A C46A 1.360(16) . ?
C46A C47A 1.377(15) . ?
C47A C48A 1.384(11) . ?
C49A C50A 1.376(10) . ?
C49A C54A 1.394(11) . ?
C50A C51A 1.402(12) . ?
C51A C52A 1.379(15) . ?
C52A C53A 1.369(14) . ?
C53A C54A 1.384(12) . ?
C55A C60A 1.339(14) . ?
C55A C56A 1.340(15) . ?
C56A C57A 1.42(2) . ?
C57A C58A 1.27(3) . ?
C58A C59A 1.22(2) . ?
C59A C60A 1.412(16) . ?
C61A C66A 1.367(13) . ?
C61A C62A 1.388(14) . ?
C62A C63A 1.380(15) . ?
C63A C64A 1.35(2) . ?
C64A C65A 1.34(2) . ?
C65A C66A 1.368(14) . ?
C67A C72A 1.353(12) . ?
C67A C68A 1.370(12) . ?
C68A C69A 1.382(12) . ?
C69A C70A 1.334(15) . ?
C70A C71A 1.360(18) . ?
C71A C72A 1.379(16) . ?
C73A C74A 1.382(14) . ?
C74A C75A 1.329(17) . ?
C75A C76A 1.393(17) . ?
C76A C77A 1.376(11) . ?
C77A C78A 1.467(12) . ?
C78A C79A 1.410(12) . ?
C79A C80A 1.377(15) . ?
C80A C81A 1.369(15) . ?
C81A C82A 1.380(13) . ?
Pt1B P2B 2.2945(18) . ?
Pt1B P1B 2.3045(18) . ?
Pt1B S2B 2.3485(16) . ?
Pt1B S1B 2.3734(16) . ?
Pt1B Cd1B 3.2657(6) . ?
Pt2B P4B 2.2724(18) . ?
Pt2B P3B 2.2982(17) . ?
Pt2B S1B 2.3533(16) . ?
Pt2B S2B 2.3641(15) . ?
Pt2B Cd1B 3.2744(5) . ?
Cd1B N2B 2.342(6) . ?
Cd1B N1B 2.390(6) . ?
Cd1B Cl1B 2.444(2) . ?
Cd1B S2B 2.5862(17) . ?
Cd1B S1B 2.6561(17) . ?
P1B C7B 1.821(8) . ?
P1B C13B 1.830(8) . ?
P1B C1B 1.845(7) . ?
P2B C25B 1.826(8) . ?
P2B C31B 1.828(8) . ?
P2B C19B 1.847(8) . ?
P3B C49B 1.820(7) . ?
P3B C37B 1.839(7) . ?
P3B C43B 1.846(7) . ?
P4B C61B 1.825(8) . ?
P4B C67B 1.827(8) . ?
P4B C55B 1.846(9) . ?
N1B C73B 1.334(11) . ?
N1B C77B 1.334(10) . ?
N2B C82B 1.340(11) . ?
N2B C78B 1.342(10) . ?
C1B C6B 1.391(11) . ?
C1B C2B 1.403(11) . ?
C2B C3B 1.376(11) . ?
C3B C4B 1.367(13) . ?
C4B C5B 1.388(14) . ?
C5B C6B 1.403(12) . ?
C7B C12B 1.382(12) . ?
C7B C8B 1.396(12) . ?
C8B C9B 1.419(15) . ?
C9B C10B 1.34(2) . ?
C10B C11B 1.336(19) . ?
C11B C12B 1.406(13) . ?
C13B C14B 1.370(10) . ?
C13B C18B 1.390(11) . ?
C14B C15B 1.377(11) . ?
C15B C16B 1.372(13) . ?
C16B C17B 1.376(14) . ?
C17B C18B 1.354(12) . ?
C19B C24B 1.341(12) . ?
C19B C20B 1.395(12) . ?
C20B C21B 1.385(14) . ?
C21B C22B 1.363(17) . ?
C22B C23B 1.303(17) . ?
C23B C24B 1.393(14) . ?
C25B C30B 1.384(11) . ?
C25B C26B 1.385(11) . ?
C26B C27B 1.378(12) . ?
C27B C28B 1.352(15) . ?
C28B C29B 1.379(16) . ?
C29B C30B 1.381(13) . ?
C31B C36B 1.381(12) . ?
C31B C32B 1.390(12) . ?
C32B C33B 1.384(14) . ?
C33B C34B 1.377(18) . ?
C34B C35B 1.338(17) . ?
C35B C36B 1.388(12) . ?
C37B C42B 1.348(11) . ?
C37B C38B 1.399(10) . ?
C38B C39B 1.379(12) . ?
C39B C40B 1.365(14) . ?
C40B C41B 1.391(13) . ?
C41B C42B 1.392(11) . ?
C43B C48B 1.382(11) . ?
C43B C44B 1.383(12) . ?
C44B C45B 1.386(12) . ?
C45B C46B 1.365(16) . ?
C46B C47B 1.358(16) . ?
C47B C48B 1.392(12) . ?
C49B C54B 1.394(10) . ?
C49B C50B 1.397(10) . ?
C50B C51B 1.371(11) . ?
C51B C52B 1.383(12) . ?
C52B C53B 1.356(13) . ?
C53B C54B 1.376(12) . ?
C55B C56B 1.366(12) . ?
C55B C60B 1.373(12) . ?
C56B C57B 1.396(13) . ?
C57B C58B 1.405(19) . ?
C58B C59B 1.40(2) . ?
C59B C60B 1.342(17) . ?
C61B C62B 1.371(12) . ?
C61B C66B 1.371(11) . ?
C62B C63B 1.387(16) . ?
C63B C64B 1.339(19) . ?
C64B C65B 1.370(16) . ?
C65B C66B 1.385(12) . ?
C67B C68B 1.387(11) . ?
C67B C72B 1.407(13) . ?
C68B C69B 1.407(13) . ?
C69B C70B 1.361(16) . ?
C70B C71B 1.369(15) . ?
C71B C72B 1.388(13) . ?
C73B C74B 1.372(13) . ?
C74B C75B 1.365(16) . ?
C75B C76B 1.391(16) . ?
C76B C77B 1.395(11) . ?
C77B C78B 1.491(12) . ?
C78B C79B 1.403(11) . ?
C79B C80B 1.366(14) . ?
C80B C81B 1.367(14) . ?
C81B C82B 1.384(12) . ?
P5A F3A 1.478(15) . ?
P5A F5A 1.504(17) . ?
P5A F4A 1.550(14) . ?
P5A F1A 1.565(11) . ?
P5A F6A 1.570(17) . ?
P5A F2A 1.602(13) . ?
P5B F6B 1.39(2) . ?
P5B F4B 1.512(10) . ?
P5B F5B 1.520(13) . ?
P5B F1B 1.549(10) . ?
P5B F3B 1.583(8) . ?
P5B F2B 1.617(13) . ?
