#------------------------------------------------------------------------------
#$Date: 2016-01-28 06:50:15 +0200 (Thu, 28 Jan 2016) $
#$Revision: 175207 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/81/7038149.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_7038149
loop_
_publ_author_name
'Ara, Irene'
'Forniés, Juan'
'Ibáñez, Susana'
'Mastrorilli, Piero'
'Todisco, Stefano'
'Gallo, Vito'
_publ_section_title
;
 Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O
 and P-O-P bonds through reductive coupling processes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2156
_journal_page_last               2171
_journal_paper_doi               10.1039/c5dt02593a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'4(C78 H55 F10 O P5 Pt3), 6(C H2 Cl2), 2(C H2 Cl Cl)'
_chemical_formula_sum            'C80 H59 Cl4 F10 O P5 Pt3'
_chemical_formula_weight         2108.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-09 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 96.1080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5689(8)
_cell_length_b                   25.4115(13)
_cell_length_c                   19.2739(10)
_cell_measurement_reflns_used    9980
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.50
_cell_measurement_theta_min      2.26
_cell_volume                     7582.0(7)
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            56999
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    5.838
_exptl_absorpt_correction_T_max  0.7590
_exptl_absorpt_correction_T_min  0.3347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.847
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4056
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.220
_refine_diff_density_min         -2.152
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     952
_refine_ls_number_reflns         13341
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0616
_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)+(0.0646P)²+120.2042P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1543
_reflns_number_gt                10808
_reflns_number_total             13341
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02593a1.cif
_cod_data_source_block           ial296a
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7038149
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.43582(3) 0.177797(17) 0.34334(2) 0.01756(12) Uani 1 1 d .
Pt2 Pt 0.60399(3) 0.211029(17) 0.37216(2) 0.01740(12) Uani 1 1 d .
Pt3 Pt 0.69066(3) 0.125291(17) 0.35027(2) 0.01746(12) Uani 1 1 d .
P1 P 0.72597(19) 0.25102(12) 0.40470(17) 0.0224(7) Uani 1 1 d .
P2 P 0.48758(18) 0.26151(12) 0.37410(17) 0.0190(6) Uani 1 1 d .
P3 P 0.76728(19) 0.14976(12) 0.45074(16) 0.0193(6) Uani 1 1 d .
P4 P 0.55346(18) 0.13331(12) 0.29131(16) 0.0180(6) Uani 1 1 d .
P5 P 0.77018(19) 0.06094(12) 0.30280(17) 0.0207(7) Uani 1 1 d .
F2 F 0.2938(4) 0.1216(3) 0.2305(4) 0.0309(17) Uani 1 1 d .
F3 F 0.2037(5) 0.0332(3) 0.2352(4) 0.042(2) Uani 1 1 d .
F4 F 0.2306(5) -0.0329(3) 0.3467(5) 0.044(2) Uani 1 1 d .
F5 F 0.3520(5) -0.0077(3) 0.4545(4) 0.0364(19) Uani 1 1 d .
F6 F 0.4422(4) 0.0816(3) 0.4512(4) 0.0275(16) Uani 1 1 d .
F8 F 0.3370(4) 0.1798(3) 0.4816(4) 0.0253(15) Uani 1 1 d .
F9 F 0.1812(4) 0.2149(3) 0.5058(4) 0.0296(17) Uani 1 1 d .
F10 F 0.0703(4) 0.2544(3) 0.3996(4) 0.0362(19) Uani 1 1 d .
F11 F 0.1209(5) 0.2624(3) 0.2689(4) 0.039(2) Uani 1 1 d .
F12 F 0.2816(4) 0.2344(3) 0.2459(4) 0.0314(17) Uani 1 1 d .
O O 0.7952(5) 0.2127(3) 0.4511(4) 0.0215(18) Uani 1 1 d .
C1 C 0.3726(7) 0.1060(5) 0.3414(6) 0.022(3) Uani 1 1 d .
C2 C 0.3093(7) 0.0911(5) 0.2882(7) 0.024(3) Uani 1 1 d .
C3 C 0.2628(7) 0.0451(5) 0.2893(6) 0.022(3) Uani 1 1 d U
C4 C 0.2759(8) 0.0122(5) 0.3449(7) 0.027(3) Uani 1 1 d .
C5 C 0.3367(8) 0.0245(5) 0.3996(7) 0.026(3) Uani 1 1 d .
C6 C 0.3824(7) 0.0719(5) 0.3959(7) 0.022(3) Uani 1 1 d .
C7 C 0.3167(7) 0.2066(5) 0.3633(6) 0.022(3) Uani 1 1 d .
C8 C 0.2864(7) 0.2011(4) 0.4276(7) 0.021(3) Uani 1 1 d .
C9 C 0.2058(7) 0.2176(5) 0.4417(6) 0.020(3) Uani 1 1 d .
C10 C 0.1497(7) 0.2387(5) 0.3878(7) 0.027(3) Uani 1 1 d .
C11 C 0.1772(7) 0.2425(5) 0.3221(6) 0.024(3) Uani 1 1 d .
C12 C 0.2585(8) 0.2273(5) 0.3113(6) 0.025(3) Uani 1 1 d .
C13 C 0.7249(8) 0.3067(5) 0.4632(8) 0.035(3) Uani 1 1 d U
C14 C 0.7056(13) 0.3558(6) 0.4333(11) 0.063(5) Uani 1 1 d .
H14 H 0.6965 0.3607 0.3842 0.075 Uiso 1 1 calc R
C15 C 0.701(2) 0.3977(8) 0.4807(18) 0.113(10) Uani 1 1 d .
H15 H 0.6919 0.4323 0.4624 0.136 Uiso 1 1 calc R
C16 C 0.707(2) 0.3914(9) 0.5493(16) 0.107(10) Uani 1 1 d .
H16 H 0.7028 0.4211 0.5787 0.129 Uiso 1 1 calc R
C17 C 0.7208(12) 0.3403(8) 0.5795(11) 0.071(6) Uani 1 1 d .
H17 H 0.7236 0.3343 0.6284 0.085 Uiso 1 1 calc R
C18 C 0.7296(10) 0.3006(6) 0.5328(8) 0.042(4) Uani 1 1 d .
H18 H 0.7398 0.2661 0.5509 0.051 Uiso 1 1 calc R
C19 C 0.7862(8) 0.2721(5) 0.3342(8) 0.032(3) Uani 1 1 d U
C20 C 0.8670(10) 0.2955(7) 0.3475(11) 0.062(5) Uani 1 1 d .
H20 H 0.8907 0.3014 0.3943 0.074 Uiso 1 1 calc R
C21 C 0.9129(11) 0.3105(7) 0.2935(10) 0.057(5) Uani 1 1 d U
H21 H 0.9674 0.3273 0.3032 0.069 Uiso 1 1 calc R
C22 C 0.8814(10) 0.3015(7) 0.2282(10) 0.052(4) Uani 1 1 d U
H22 H 0.9147 0.3107 0.1915 0.063 Uiso 1 1 calc R
C23 C 0.8012(11) 0.2789(7) 0.2122(10) 0.057(5) Uani 1 1 d .
H23 H 0.7789 0.2736 0.1649 0.068 Uiso 1 1 calc R
C24 C 0.7533(9) 0.2641(6) 0.2657(8) 0.040(4) Uani 1 1 d .
H24 H 0.6979 0.2486 0.2552 0.047 Uiso 1 1 calc R
C25 C 0.4599(8) 0.2824(5) 0.4577(7) 0.028(3) Uani 1 1 d .
C26 C 0.5049(9) 0.2673(6) 0.5179(7) 0.035(3) Uani 1 1 d .
H26 H 0.5552 0.2464 0.5157 0.042 Uiso 1 1 calc R
C27 C 0.4813(11) 0.2809(6) 0.5834(8) 0.045(4) Uani 1 1 d .
H27 H 0.5177 0.2728 0.6247 0.054 Uiso 1 1 calc R
C28 C 0.4036(12) 0.3063(7) 0.5865(9) 0.052(4) Uani 1 1 d .
H28 H 0.3848 0.3140 0.6307 0.063 Uiso 1 1 calc R
C29 C 0.3523(11) 0.3210(6) 0.5262(9) 0.045(4) Uani 1 1 d .
H29 H 0.2994 0.3390 0.5292 0.054 Uiso 1 1 calc R
C30 C 0.3791(9) 0.3091(6) 0.4618(8) 0.035(3) Uani 1 1 d .
H30 H 0.3442 0.3186 0.4203 0.042 Uiso 1 1 calc R
C31 C 0.4708(7) 0.3180(5) 0.3174(7) 0.022(3) Uani 1 1 d .
C32 C 0.4798(10) 0.3685(6) 0.3434(8) 0.041(4) Uani 1 1 d .
H32 H 0.4866 0.3734 0.3925 0.049 Uiso 1 1 calc R
C33 C 0.4794(10) 0.4127(6) 0.2997(10) 0.048(4) Uani 1 1 d .
H33 H 0.4853 0.4473 0.3185 0.058 Uiso 1 1 calc R
C34 C 0.4697(9) 0.4039(6) 0.2264(9) 0.045(4) Uani 1 1 d .
H34 H 0.4663 0.4328 0.1949 0.054 Uiso 1 1 calc R
C35 C 0.4654(10) 0.3543(6) 0.2022(8) 0.042(4) Uani 1 1 d .
H35 H 0.4629 0.3483 0.1534 0.050 Uiso 1 1 calc R
C36 C 0.4647(10) 0.3132(6) 0.2455(8) 0.044(4) Uani 1 1 d .
H36 H 0.4596 0.2790 0.2258 0.052 Uiso 1 1 calc R
C37 C 0.8711(7) 0.1225(5) 0.4858(6) 0.022(3) Uani 1 1 d .
C38 C 0.9491(7) 0.1467(5) 0.4775(7) 0.024(3) Uani 1 1 d .
H38 H 0.9502 0.1801 0.4555 0.028 Uiso 1 1 calc R
C39 C 1.0259(8) 0.1216(5) 0.5020(7) 0.033(3) Uani 1 1 d .
H39 H 1.0796 0.1380 0.4966 0.039 Uiso 1 1 calc R
C40 C 1.0246(8) 0.0730(5) 0.5339(7) 0.028(3) Uani 1 1 d .
H40 H 1.0773 0.0564 0.5509 0.033 Uiso 1 1 calc R
C41 C 0.9466(8) 0.0486(5) 0.5411(6) 0.024(3) Uani 1 1 d .
H41 H 0.9458 0.0149 0.5624 0.028 Uiso 1 1 calc R
C42 C 0.8691(7) 0.0735(5) 0.5168(6) 0.023(3) Uani 1 1 d .
H42 H 0.8154 0.0569 0.5217 0.028 Uiso 1 1 calc R
C43 C 0.7078(7) 0.1458(5) 0.5270(7) 0.022(3) Uani 1 1 d .
C44 C 0.7457(8) 0.1612(5) 0.5922(7) 0.030(3) Uani 1 1 d .
H44 H 0.8049 0.1710 0.5979 0.036 Uiso 1 1 calc R
C45 C 0.6986(9) 0.1624(5) 0.6488(7) 0.032(3) Uani 1 1 d .
H45 H 0.7255 0.1723 0.6935 0.039 Uiso 1 1 calc R
C46 C 0.6114(9) 0.1490(5) 0.6401(7) 0.033(3) Uani 1 1 d .
H46 H 0.5781 0.1510 0.6785 0.039 Uiso 1 1 calc R
C47 C 0.5735(9) 0.1330(6) 0.5764(8) 0.038(3) Uani 1 1 d .
H47 H 0.5147 0.1223 0.5715 0.046 Uiso 1 1 calc R
C48 C 0.6196(8) 0.1320(5) 0.5188(7) 0.025(3) Uani 1 1 d .
H48 H 0.5921 0.1221 0.4744 0.030 Uiso 1 1 calc R
C49 C 0.5157(7) 0.0655(5) 0.2695(6) 0.020(3) Uani 1 1 d .
C50 C 0.4721(7) 0.0511(5) 0.2057(7) 0.028(3) Uani 1 1 d .
H50 H 0.4561 0.0770 0.1711 0.033 Uiso 1 1 calc R
C51 C 0.4524(10) -0.0007(6) 0.1932(9) 0.044(4) Uani 1 1 d .
H51 H 0.4240 -0.0105 0.1490 0.052 Uiso 1 1 calc R
C52 C 0.4720(9) -0.0383(6) 0.2414(9) 0.042(4) Uani 1 1 d .
H52 H 0.4580 -0.0741 0.2310 0.050 Uiso 1 1 calc R
C53 C 0.5117(9) -0.0249(5) 0.3047(8) 0.038(4) Uani 1 1 d .
H53 H 0.5236 -0.0514 0.3392 0.045 Uiso 1 1 calc R
C54 C 0.5350(8) 0.0261(5) 0.3203(7) 0.030(3) Uani 1 1 d .
H54 H 0.5638 0.0348 0.3647 0.036 Uiso 1 1 calc R
C55 C 0.5478(7) 0.1644(5) 0.2061(7) 0.024(3) Uani 1 1 d .
C56 C 0.4684(8) 0.1844(5) 0.1731(7) 0.030(3) Uani 1 1 d U
H56 H 0.4165 0.1799 0.1942 0.036 Uiso 1 1 calc R
C57 C 0.4675(8) 0.2106(6) 0.1099(7) 0.034(3) Uani 1 1 d .
H57 H 0.4144 0.2241 0.0882 0.041 Uiso 1 1 calc R
C58 C 0.5411(9) 0.2174(7) 0.0779(8) 0.045(4) Uani 1 1 d .
H58 H 0.5401 0.2366 0.0355 0.054 Uiso 1 1 calc R
C59 C 0.6176(10) 0.1953(7) 0.1093(8) 0.047(4) Uani 1 1 d U
H59 H 0.6687 0.1978 0.0866 0.056 Uiso 1 1 calc R
C60 C 0.6206(8) 0.1702(6) 0.1721(7) 0.035(3) Uani 1 1 d .
H60 H 0.6740 0.1565 0.1928 0.042 Uiso 1 1 calc R
C61 C 0.8833(7) 0.0830(5) 0.3085(6) 0.022(3) Uani 1 1 d U
C62 C 0.9531(8) 0.0487(5) 0.3228(7) 0.030(3) Uani 1 1 d .
H62 H 0.9432 0.0127 0.3325 0.036 Uiso 1 1 calc R
C63 C 1.0361(8) 0.0672(6) 0.3230(8) 0.037(3) Uani 1 1 d .
H63 H 1.0832 0.0438 0.3339 0.045 Uiso 1 1 calc R
C64 C 1.0526(8) 0.1194(6) 0.3077(7) 0.034(3) Uani 1 1 d .
H64 H 1.1102 0.1316 0.3072 0.040 Uiso 1 1 calc R
C65 C 0.9829(8) 0.1534(5) 0.2929(7) 0.029(3) Uani 1 1 d .
H65 H 0.9927 0.1891 0.2816 0.035 Uiso 1 1 calc R
C66 C 0.8995(8) 0.1353(5) 0.2946(7) 0.027(3) Uani 1 1 d .
H66 H 0.8525 0.1591 0.2862 0.032 Uiso 1 1 calc R
C67 C 0.7705(7) -0.0044(5) 0.3395(7) 0.026(3) Uani 1 1 d .
C68 C 0.7352(7) -0.0135(5) 0.4018(6) 0.023(3) Uani 1 1 d .
H68 H 0.7150 0.0152 0.4271 0.028 Uiso 1 1 calc R
C69 C 0.7294(8) -0.0649(5) 0.4273(7) 0.032(3) Uani 1 1 d .
H69 H 0.7034 -0.0707 0.4691 0.038 Uiso 1 1 calc R
C70 C 0.7608(8) -0.1073(5) 0.3927(8) 0.033(3) Uani 1 1 d .
H70 H 0.7564 -0.1420 0.4105 0.039 Uiso 1 1 calc R
C71 C 0.7987(8) -0.0987(6) 0.3318(7) 0.033(3) Uani 1 1 d .
H71 H 0.8214 -0.1275 0.3081 0.040 Uiso 1 1 calc R
C72 C 0.8035(8) -0.0483(5) 0.3056(7) 0.027(3) Uani 1 1 d .
H72 H 0.8296 -0.0429 0.2638 0.033 Uiso 1 1 calc R
C73 C 0.7471(8) 0.0467(5) 0.2090(7) 0.029(3) Uani 1 1 d .
C74 C 0.7917(11) 0.0676(7) 0.1587(9) 0.053(4) Uani 1 1 d .
H74 H 0.8387 0.0907 0.1717 0.063 Uiso 1 1 calc R
C75 C 0.7702(14) 0.0560(8) 0.0902(9) 0.067(6) Uani 1 1 d .
H75 H 0.8025 0.0714 0.0562 0.080 Uiso 1 1 calc R
C76 C 0.7026(13) 0.0225(8) 0.0688(10) 0.070(6) Uani 1 1 d .
H76 H 0.6878 0.0144 0.0209 0.084 Uiso 1 1 calc R
C77 C 0.6587(12) 0.0018(8) 0.1189(10) 0.067(6) Uani 1 1 d .
H77 H 0.6119 -0.0214 0.1058 0.080 Uiso 1 1 calc R
C78 C 0.6790(9) 0.0131(6) 0.1875(8) 0.041(4) Uani 1 1 d .
H78 H 0.6463 -0.0021 0.2212 0.049 Uiso 1 1 calc R
C79 C 0.2457(13) 0.9227(9) 0.1784(10) 0.076(6) Uani 1 1 d .
H79A H 0.2833 0.9473 0.2077 0.114 Uiso 1 1 calc R
H79B H 0.1979 0.9119 0.2054 0.114 Uiso 1 1 calc R
Cl1 Cl 0.2024(4) 0.9556(2) 0.1012(3) 0.0752(15) Uani 1 1 d .
Cl2 Cl 0.3042(4) 0.8684(2) 0.1606(4) 0.092(2) Uani 1 1 d .
C80 C 0.4893(9) 0.9140(14) -0.0273(10) 0.057(9) Uani 0.50 1 d PDU
H80A H 0.4631 0.8932 -0.0676 0.086 Uiso 0.50 1 calc PR
H80B H 0.4749 0.9514 -0.0367 0.086 Uiso 0.50 1 calc PR
Cl3 Cl 0.5979(6) 0.9069(4) -0.0215(4) 0.058(2) Uani 0.50 1 d PD
Cl4 Cl 0.4441(7) 0.8947(4) 0.0455(5) 0.071(3) Uani 0.50 1 d PD
C81 C 0.5014(17) 0.4302(12) 0.5398(15) 0.038(7) Uani 0.50 1 d P
H81A H 0.4457 0.4124 0.5257 0.056 Uiso 0.50 1 calc PR
H81B H 0.5481 0.4092 0.5224 0.056 Uiso 0.50 1 calc PR
Cl5 Cl 0.5180(9) 0.4344(6) 0.6301(8) 0.109(4) Uani 0.50 1 d P
Cl6 Cl 0.5000 0.5000 0.5000 0.122(9) Uani 0.50 2 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C7 Pt1 C1 83.2(4) .
C7 Pt1 P2 85.6(3) .
C1 Pt1 P2 163.7(3) .
C7 Pt1 P4 164.1(4) .
C1 Pt1 P4 87.8(3) .
P2 Pt1 P4 105.75(10) .
C7 Pt1 Pt2 135.0(3) .
C1 Pt1 Pt2 135.6(3) .
P2 Pt1 Pt2 51.11(7) .
P4 Pt1 Pt2 59.23(7) .
P1 Pt2 P2 114.31(12) .
P1 Pt2 P4 136.65(11) .
P2 Pt2 P4 104.74(11) .
P1 Pt2 Pt3 89.21(8) .
P2 Pt2 Pt3 156.46(8) .
P4 Pt2 Pt3 52.90(6) .
P1 Pt2 Pt1 168.44(9) .
P2 Pt2 Pt1 54.60(8) .
P4 Pt2 Pt1 54.68(6) .
Pt3 Pt2 Pt1 101.98(2) .
P3 Pt3 P5 106.28(11) .
P3 Pt3 P4 140.65(11) .
P5 Pt3 P4 111.99(11) .
P3 Pt3 Pt2 82.34(8) .
P5 Pt3 Pt2 164.54(8) .
P4 Pt3 Pt2 62.78(8) .
O P1 C19 102.7(5) .
O P1 C13 100.0(5) .
C19 P1 C13 106.0(7) .
O P1 Pt2 112.3(3) .
C19 P1 Pt2 115.2(5) .
C13 P1 Pt2 118.5(5) .
C25 P2 C31 106.0(6) .
C25 P2 Pt2 117.4(5) .
C31 P2 Pt2 120.9(4) .
C25 P2 Pt1 112.9(4) .
C31 P2 Pt1 123.2(4) .
Pt2 P2 Pt1 74.30(9) .
O P3 C37 98.3(5) .
O P3 C43 101.9(5) .
C37 P3 C43 100.8(5) .
O P3 Pt3 112.6(3) .
C37 P3 Pt3 125.6(4) .
C43 P3 Pt3 114.2(4) .
C55 P4 C49 102.4(6) .
C55 P4 Pt3 115.8(4) .
C49 P4 Pt3 106.4(4) .
C55 P4 Pt1 101.7(4) .
C49 P4 Pt1 106.8(3) .
Pt3 P4 Pt1 121.90(13) .
C55 P4 Pt2 101.3(4) .
C49 P4 Pt2 156.2(4) .
Pt3 P4 Pt2 64.31(8) .
Pt1 P4 Pt2 66.08(8) .
C67 P5 C61 107.1(5) .
C67 P5 C73 101.3(6) .
C61 P5 C73 101.7(6) .
C67 P5 Pt3 118.5(4) .
C61 P5 Pt3 108.2(4) .
C73 P5 Pt3 118.3(4) .
P1 O P3 114.4(5) .
C6 C1 C2 114.1(11) .
C6 C1 Pt1 122.2(10) .
C2 C1 Pt1 123.2(9) .
F2 C2 C3 116.7(11) .
F2 C2 C1 119.9(11) .
C3 C2 C1 123.3(11) .
F3 C3 C4 120.3(11) .
F3 C3 C2 119.6(11) .
C4 C3 C2 120.1(11) .
F4 C4 C3 120.6(12) .
F4 C4 C5 119.6(12) .
C3 C4 C5 119.8(11) .
F5 C5 C4 121.1(11) .
F5 C5 C6 121.1(12) .
C4 C5 C6 117.9(11) .
C1 C6 F6 120.1(11) .
C1 C6 C5 124.8(12) .
F6 C6 C5 115.0(11) .
C8 C7 C12 115.5(11) .
C8 C7 Pt1 122.0(9) .
C12 C7 Pt1 122.1(9) .
F8 C8 C9 116.1(10) .
F8 C8 C7 120.4(10) .
C9 C8 C7 123.4(11) .
F9 C9 C8 121.6(11) .
F9 C9 C10 119.5(10) .
C8 C9 C10 118.9(11) .
F10 C10 C11 121.0(11) .
F10 C10 C9 120.3(11) .
C11 C10 C9 118.7(10) .
C12 C11 F11 121.3(11) .
C12 C11 C10 120.4(11) .
F11 C11 C10 118.4(10) .
F12 C12 C11 116.6(11) .
F12 C12 C7 120.3(10) .
C11 C12 C7 123.0(11) .
C18 C13 C14 120.2(15) .
C18 C13 P1 121.8(11) .
C14 C13 P1 117.2(13) .
C13 C14 C15 116(2) .
C16 C15 C14 123(2) .
C15 C16 C17 121(2) .
C18 C17 C16 115(2) .
C13 C18 C17 124.9(17) .
C24 C19 C20 118.4(14) .
C24 C19 P1 120.3(10) .
C20 C19 P1 121.3(13) .
C21 C20 C19 120.8(19) .
C22 C21 C20 120.1(17) .
C21 C22 C23 121.3(16) .
C22 C23 C24 119.5(18) .
C19 C24 C23 119.8(15) .
C26 C25 C30 117.7(12) .
C26 C25 P2 122.6(10) .
C30 C25 P2 119.0(11) .
C25 C26 C27 123.1(13) .
C28 C27 C26 118.2(15) .
C27 C28 C29 121.3(15) .
C30 C29 C28 119.3(15) .
C29 C30 C25 120.1(14) .
C32 C31 C36 116.0(12) .
C32 C31 P2 121.1(10) .
C36 C31 P2 121.8(10) .
C31 C32 C33 122.3(14) .
C32 C33 C34 117.4(15) .
C35 C34 C33 119.3(14) .
C36 C35 C34 121.3(15) .
C35 C36 C31 123.5(15) .
C42 C37 C38 120.7(11) .
C42 C37 P3 116.3(9) .
C38 C37 P3 122.9(9) .
C37 C38 C39 119.3(12) .
C40 C39 C38 120.6(12) .
C39 C40 C41 120.0(11) .
C40 C41 C42 119.9(11) .
C37 C42 C41 119.5(11) .
C44 C43 C48 119.2(11) .
C44 C43 P3 120.8(9) .
C48 C43 P3 119.7(10) .
C45 C44 C43 120.8(12) .
C44 C45 C46 119.5(12) .
C47 C46 C45 120.2(12) .
C46 C47 C48 121.0(13) .
C47 C48 C43 119.2(12) .
C50 C49 C54 118.4(12) .
C50 C49 P4 124.0(10) .
C54 C49 P4 117.6(10) .
C51 C50 C49 119.2(14) .
C52 C51 C50 122.2(15) .
C51 C52 C53 119.5(14) .
C52 C53 C54 121.4(14) .
C53 C54 C49 119.2(14) .
C60 C55 C56 117.9(12) .
C60 C55 P4 121.0(9) .
C56 C55 P4 121.1(9) .
C57 C56 C55 119.4(12) .
C58 C57 C56 121.7(13) .
C57 C58 C59 118.0(13) .
C60 C59 C58 121.3(13) .
C59 C60 C55 121.4(12) .
C66 C61 C62 118.9(11) .
C66 C61 P5 118.3(9) .
C62 C61 P5 122.8(10) .
C63 C62 C61 119.9(12) .
C62 C63 C64 121.4(12) .
C63 C64 C65 118.6(12) .
C66 C65 C64 120.2(12) .
C65 C66 C61 121.0(11) .
C68 C67 C72 117.6(11) .
C68 C67 P5 120.4(9) .
C72 C67 P5 122.0(10) .
C67 C68 C69 120.3(12) .
C70 C69 C68 121.1(13) .
C69 C70 C71 119.3(12) .
C72 C71 C70 120.0(13) .
C71 C72 C67 121.6(12) .
C74 C73 C78 117.3(14) .
C74 C73 P5 124.2(12) .
C78 C73 P5 118.5(11) .
C75 C74 C73 121.1(17) .
C74 C75 C76 121.6(17) .
C77 C76 C75 117.1(16) .
C76 C77 C78 122.1(16) .
C77 C78 C73 120.8(15) .
Cl2 C79 Cl1 112.0(11) .
Cl3 C80 Cl4 114.3(11) .
Cl5 C81 Cl6 109.6(16) .
C81 Cl6 C81 179.998(4) 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C7 2.067(12) .
Pt1 C1 2.072(12) .
Pt1 P2 2.329(3) .
Pt1 P4 2.455(3) .
Pt1 Pt2 2.7509(6) .
Pt2 P1 2.186(3) .
Pt2 P2 2.224(3) .
Pt2 P4 2.586(3) .
Pt2 Pt3 2.6204(6) .
Pt3 P3 2.251(3) .
Pt3 P5 2.299(3) .
Pt3 P4 2.319(3) .
P1 O 1.644(8) .
P1 C19 1.811(14) .
P1 C13 1.812(14) .
P2 C25 1.791(13) .
P2 C31 1.807(13) .
P3 O 1.656(8) .
P3 C37 1.822(12) .
P3 C43 1.823(12) .
P4 C55 1.815(13) .
P4 C49 1.855(12) .
P5 C67 1.805(13) .
P5 C61 1.840(12) .
P5 C73 1.842(13) .
F2 C2 1.355(14) .
F3 C3 1.349(14) .
F4 C4 1.348(14) .
F5 C5 1.339(14) .
F6 C6 1.361(14) .
F8 C8 1.349(14) .
F9 C9 1.335(13) .
F10 C10 1.341(13) .
F11 C11 1.374(14) .
F12 C12 1.359(14) .
C1 C6 1.357(17) .
C1 C2 1.396(18) .
C2 C3 1.378(17) .
C3 C4 1.358(18) .
C4 C5 1.376(19) .
C5 C6 1.405(17) .
C7 C8 1.380(17) .
C7 C12 1.382(17) .
C8 C9 1.378(16) .
C9 C10 1.391(18) .
C10 C11 1.381(17) .
C11 C12 1.360(16) .
C13 C18 1.34(2) .
C13 C14 1.39(2) .
C14 C15 1.41(3) .
C15 C16 1.33(4) .
C16 C17 1.43(3) .
C17 C18 1.37(2) .
C19 C24 1.38(2) .
C19 C20 1.39(2) .
C20 C21 1.38(2) .
C21 C22 1.32(2) .
C22 C23 1.38(2) .
C23 C24 1.39(2) .
C25 C26 1.346(19) .
C25 C30 1.440(18) .
C26 C27 1.40(2) .
C27 C28 1.38(2) .
C28 C29 1.39(2) .
C29 C30 1.38(2) .
C31 C32 1.378(19) .
C31 C36 1.38(2) .
C32 C33 1.40(2) .
C33 C34 1.42(2) .
C34 C35 1.34(2) .
C35 C36 1.34(2) .
C37 C42 1.382(17) .
C37 C38 1.385(16) .
C38 C39 1.391(17) .
C39 C40 1.379(19) .
C40 C41 1.384(17) .
C41 C42 1.399(17) .
C43 C44 1.386(18) .
C43 C48 1.410(16) .
C44 C45 1.378(18) .
C45 C46 1.393(19) .
C46 C47 1.37(2) .
C47 C48 1.383(18) .
C49 C50 1.389(18) .
C49 C54 1.410(18) .
C50 C51 1.368(19) .
C51 C52 1.34(2) .
C52 C53 1.35(2) .
C53 C54 1.370(19) .
C55 C60 1.376(17) .
C55 C56 1.422(17) .
C56 C57 1.388(18) .
C57 C58 1.369(19) .
C58 C59 1.40(2) .
C59 C60 1.36(2) .
C61 C66 1.385(17) .
C61 C62 1.396(16) .
C62 C63 1.375(18) .
C63 C64 1.388(19) .
C64 C65 1.393(18) .
C65 C66 1.381(17) .
C67 C68 1.392(17) .
C67 C72 1.416(17) .
C68 C69 1.400(18) .
C69 C70 1.385(19) .
C70 C71 1.385(19) .
C71 C72 1.383(18) .
C73 C74 1.36(2) .
C73 C78 1.389(19) .
C74 C75 1.36(2) .
C75 C76 1.38(3) .
C76 C77 1.35(3) .
C77 C78 1.36(2) .
C79 Cl2 1.71(2) .
C79 Cl1 1.78(2) .
C80 Cl3 1.693(10) .
C80 Cl4 1.707(10) .
C81 Cl5 1.73(3) .
C81 Cl6 1.93(3) .
Cl6 C81 1.93(3) 3_666
