#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:52:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179351 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/48/4324879.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_4324879
loop_
_publ_author_name
'Mario Latronico'
'Piero Mastrorilli'
'Vito Gallo'
'Maria Michela Dell'Anna'
'Francesco Creati'
'Nazzareno Re'
'Ulli Englert'
_publ_contact_author_address
;
      Institut fuer Anorganische Chemie
      RWTH Aachen
      Landoltweg 1
      52074 Aachen
      Germany
;
_publ_contact_author_email       ullrich.englert@ac.rwth-aachen.de
_publ_contact_author_fax         0049-241-8092288
_publ_contact_author_name        'Ulli Englert'
_publ_contact_author_phone       0049-241-8094666
_publ_section_title
;
 Hydrido Phosphanido Bridged Polynuclear Complexes Obtained by Protonation
 of a Phosphinito Bridged Pt(I) Complex with HBF4 and HF
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3539
_journal_page_last               3558
_journal_paper_doi               10.1021/ic102475e
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C96 H182 O2 P8 Pt4, 4(C H2 Cl2), 2(B F4)'
_chemical_formula_sum            'C100 H190 B2 Cl8 F8 O2 P8 Pt4'
_chemical_formula_weight         2909.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.086(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.108(4)
_cell_length_b                   26.736(7)
_cell_length_c                   18.009(4)
_cell_measurement_reflns_used    3827
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      23.13
_cell_measurement_theta_min      2.15
_cell_volume                     5817(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full .982
_diffrn_measured_fraction_theta_max .982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0750
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36788
_diffrn_reflns_theta_full        26.70
_diffrn_reflns_theta_max         26.70
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    5.145
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_description       plate
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.498
_refine_diff_density_min         -1.600
_refine_diff_density_rms         .189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         12097
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0452
_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)+(0.0350P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                9105
_reflns_number_total             12097
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102475e_si_002_2.cif
_cod_data_source_block           pm18
_cod_database_code               4324879
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.53421(2) 0.020489(9) 0.919820(17) 0.01396(7) Uani 1 1 d .
Pt2 Pt 0.59657(2) 0.080269(9) 0.817400(17) 0.01495(7) Uani 1 1 d .
H1M H 0.580(6) 0.081(2) 0.907(5) 0.04(2) Uiso 1 1 d .
P1 P 0.57080(14) -0.00493(6) 0.81580(11) 0.0153(4) Uani 1 1 d .
P2 P 0.59513(14) 0.16610(6) 0.83044(12) 0.0184(4) Uani 1 1 d .
P3 P 0.62528(14) 0.07970(6) 0.70454(12) 0.0176(4) Uani 1 1 d .
H3 H 0.635(5) 0.039(2) 0.683(4) 0.022(18) Uiso 1 1 d .
P4 P 0.45972(14) -0.04655(6) 0.95348(11) 0.0147(4) Uani 1 1 d .
O1 O 0.6318(4) 0.19101(16) 0.7676(3) 0.0205(11) Uani 1 1 d .
H1 H 0.6238 0.2222 0.7667 0.031 Uiso 1 1 calc R
C1 C 0.4723(5) -0.0318(2) 0.7096(4) 0.0200(15) Uani 1 1 d .
H1A H 0.5058 -0.0287 0.6726 0.024 Uiso 1 1 calc R
C2 C 0.4485(6) -0.0872(2) 0.7130(5) 0.0218(16) Uani 1 1 d .
H2A H 0.4177 -0.0918 0.7510 0.026 Uiso 1 1 calc R
H2B H 0.5185 -0.1063 0.7382 0.026 Uiso 1 1 calc R
C3 C 0.3666(6) -0.1075(2) 0.6226(4) 0.0248(17) Uani 1 1 d .
H3A H 0.4003 -0.1060 0.5861 0.030 Uiso 1 1 calc R
H3B H 0.3500 -0.1430 0.6271 0.030 Uiso 1 1 calc R
C4 C 0.2603(6) -0.0777(2) 0.5802(5) 0.0272(17) Uani 1 1 d .
H4A H 0.2097 -0.0907 0.5211 0.033 Uiso 1 1 calc R
H4B H 0.2234 -0.0815 0.6141 0.033 Uiso 1 1 calc R
C5 C 0.2827(6) -0.0230(3) 0.5751(5) 0.0297(18) Uani 1 1 d .
H5A H 0.2123 -0.0041 0.5490 0.036 Uiso 1 1 calc R
H5B H 0.3141 -0.0188 0.5374 0.036 Uiso 1 1 calc R
C6 C 0.3633(5) -0.0023(2) 0.6649(5) 0.0243(17) Uani 1 1 d .
H6A H 0.3290 -0.0038 0.7009 0.029 Uiso 1 1 calc R
H6B H 0.3790 0.0332 0.6598 0.029 Uiso 1 1 calc R
C7 C 0.6973(5) -0.0444(2) 0.8593(4) 0.0178(15) Uani 1 1 d .
H7 H 0.6803 -0.0769 0.8772 0.021 Uiso 1 1 calc R
C8 C 0.7371(6) -0.0566(2) 0.7967(5) 0.0223(16) Uani 1 1 d .
H8A H 0.6760 -0.0721 0.7436 0.027 Uiso 1 1 calc R
H8B H 0.7586 -0.0253 0.7798 0.027 Uiso 1 1 calc R
C9 C 0.8355(6) -0.0920(2) 0.8387(5) 0.0277(18) Uani 1 1 d .
H9A H 0.8122 -0.1244 0.8511 0.033 Uiso 1 1 calc R
H9B H 0.8616 -0.0984 0.7980 0.033 Uiso 1 1 calc R
C10 C 0.9286(6) -0.0704(3) 0.9216(5) 0.0297(18) Uani 1 1 d .
H10A H 0.9586 -0.0407 0.9078 0.036 Uiso 1 1 calc R
H10B H 0.9887 -0.0955 0.9498 0.036 Uiso 1 1 calc R
C11 C 0.8917(5) -0.0552(3) 0.9848(5) 0.0258(17) Uani 1 1 d .
H11A H 0.8717 -0.0856 1.0053 0.031 Uiso 1 1 calc R
H11B H 0.9539 -0.0386 1.0359 0.031 Uiso 1 1 calc R
C12 C 0.7925(5) -0.0199(2) 0.9421(5) 0.0212(16) Uani 1 1 d .
H12A H 0.8142 0.0120 0.9269 0.025 Uiso 1 1 calc R
H12B H 0.7673 -0.0123 0.9830 0.025 Uiso 1 1 calc R
C13 C 0.4557(5) 0.1898(2) 0.7954(5) 0.0213(16) Uani 1 1 d .
H13 H 0.4557 0.2003 0.8487 0.026 Uiso 1 1 calc R
C14 C 0.4262(6) 0.2366(3) 0.7364(5) 0.036(2) Uani 1 1 d .
H14A H 0.4825 0.2629 0.7673 0.043 Uiso 1 1 calc R
H14B H 0.4265 0.2277 0.6832 0.043 Uiso 1 1 calc R
C15 C 0.3117(7) 0.2566(3) 0.7118(6) 0.047(2) Uani 1 1 d .
H15A H 0.3130 0.2676 0.7648 0.057 Uiso 1 1 calc R
H15B H 0.2936 0.2860 0.6734 0.057 Uiso 1 1 calc R
C16 C 0.2233(6) 0.2167(3) 0.6659(6) 0.049(2) Uani 1 1 d .
H16A H 0.1508 0.2301 0.6527 0.059 Uiso 1 1 calc R
H16B H 0.2176 0.2079 0.6103 0.059 Uiso 1 1 calc R
C17 C 0.2509(6) 0.1703(3) 0.7217(6) 0.039(2) Uani 1 1 d .
H17A H 0.2473 0.1784 0.7739 0.047 Uiso 1 1 calc R
H17B H 0.1950 0.1441 0.6888 0.047 Uiso 1 1 calc R
C18 C 0.3649(6) 0.1503(3) 0.7495(5) 0.035(2) Uani 1 1 d .
H18A H 0.3652 0.1380 0.6978 0.042 Uiso 1 1 calc R
H18B H 0.3813 0.1215 0.7890 0.042 Uiso 1 1 calc R
C19 C 0.6855(5) 0.1934(2) 0.9363(4) 0.0190(15) Uani 1 1 d .
H19 H 0.6652 0.1779 0.9767 0.023 Uiso 1 1 calc R
C20 C 0.6720(6) 0.2500(2) 0.9402(5) 0.0260(17) Uani 1 1 d .
H20A H 0.5948 0.2575 0.9236 0.031 Uiso 1 1 calc R
H20B H 0.6864 0.2667 0.8979 0.031 Uiso 1 1 calc R
C21 C 0.7514(6) 0.2709(3) 1.0311(5) 0.0322(19) Uani 1 1 d .
H21A H 0.7433 0.3077 1.0305 0.039 Uiso 1 1 calc R
H21B H 0.7321 0.2569 1.0725 0.039 Uiso 1 1 calc R
C22 C 0.8713(6) 0.2577(2) 1.0610(5) 0.032(2) Uani 1 1 d .
H22A H 0.8923 0.2736 1.0219 0.039 Uiso 1 1 calc R
H22B H 0.9209 0.2708 1.1202 0.039 Uiso 1 1 calc R
C23 C 0.8849(6) 0.2015(2) 1.0605(5) 0.0270(17) Uani 1 1 d .
H23A H 0.8694 0.1860 1.1030 0.032 Uiso 1 1 calc R
H23B H 0.9624 0.1936 1.0783 0.032 Uiso 1 1 calc R
C24 C 0.8065(5) 0.1792(2) 0.9701(5) 0.0224(16) Uani 1 1 d .
H24A H 0.8281 0.1915 0.9291 0.027 Uiso 1 1 calc R
H24B H 0.8137 0.1423 0.9731 0.027 Uiso 1 1 calc R
C25 C 0.7518(5) 0.1100(2) 0.7198(5) 0.0216(16) Uani 1 1 d .
H25 H 0.7349 0.1463 0.7059 0.026 Uiso 1 1 calc R
C26 C 0.8449(5) 0.1062(3) 0.8140(5) 0.0262(17) Uani 1 1 d .
H26A H 0.8660 0.0707 0.8294 0.031 Uiso 1 1 calc R
H26B H 0.8195 0.1194 0.8522 0.031 Uiso 1 1 calc R
C27 C 0.9446(6) 0.1361(3) 0.8275(5) 0.0312(19) Uani 1 1 d .
H27A H 0.9240 0.1718 0.8149 0.037 Uiso 1 1 calc R
H27B H 1.0050 0.1334 0.8888 0.037 Uiso 1 1 calc R
C28 C 0.9855(6) 0.1173(3) 0.7692(5) 0.036(2) Uani 1 1 d .
H28A H 1.0467 0.1390 0.7765 0.043 Uiso 1 1 calc R
H28B H 1.0148 0.0830 0.7867 0.043 Uiso 1 1 calc R
C29 C 0.8939(6) 0.1173(4) 0.6749(6) 0.048(2) Uani 1 1 d .
H29A H 0.9209 0.1013 0.6397 0.058 Uiso 1 1 calc R
H29B H 0.8735 0.1522 0.6546 0.058 Uiso 1 1 calc R
C30 C 0.7914(6) 0.0894(3) 0.6611(5) 0.0319(19) Uani 1 1 d .
H30A H 0.8091 0.0534 0.6736 0.038 Uiso 1 1 calc R
H30B H 0.7313 0.0926 0.5998 0.038 Uiso 1 1 calc R
C31 C 0.5048(5) 0.0989(2) 0.5993(4) 0.0197(15) Uani 1 1 d .
H31 H 0.4399 0.1003 0.6076 0.024 Uiso 1 1 calc R
C32 C 0.4779(6) 0.0595(2) 0.5302(4) 0.0223(16) Uani 1 1 d .
H32A H 0.5385 0.0581 0.5178 0.027 Uiso 1 1 calc R
H32B H 0.4723 0.0263 0.5520 0.027 Uiso 1 1 calc R
C33 C 0.3699(6) 0.0715(2) 0.4474(5) 0.0285(18) Uani 1 1 d .
H33A H 0.3083 0.0692 0.4586 0.034 Uiso 1 1 calc R
H33B H 0.3566 0.0465 0.4026 0.034 Uiso 1 1 calc R
C34 C 0.3713(6) 0.1236(3) 0.4138(5) 0.0295(18) Uani 1 1 d .
H34A H 0.2969 0.1315 0.3639 0.035 Uiso 1 1 calc R
H34B H 0.4243 0.1242 0.3933 0.035 Uiso 1 1 calc R
C35 C 0.4043(6) 0.1631(2) 0.4841(5) 0.033(2) Uani 1 1 d .
H35A H 0.4109 0.1959 0.4617 0.039 Uiso 1 1 calc R
H35B H 0.3457 0.1658 0.4985 0.039 Uiso 1 1 calc R
C36 C 0.5124(6) 0.1505(2) 0.5648(5) 0.0240(17) Uani 1 1 d .
H36A H 0.5302 0.1763 0.6096 0.029 Uiso 1 1 calc R
H36B H 0.5725 0.1503 0.5517 0.029 Uiso 1 1 calc R
C37 C 0.3109(5) -0.0517(2) 0.8654(4) 0.0161(14) Uani 1 1 d .
H37 H 0.3070 -0.0717 0.8170 0.019 Uiso 1 1 calc R
C38 C 0.2608(5) 0.0002(2) 0.8296(4) 0.0193(15) Uani 1 1 d .
H38A H 0.2637 0.0206 0.8766 0.023 Uiso 1 1 calc R
H38B H 0.3053 0.0173 0.8091 0.023 Uiso 1 1 calc R
C39 C 0.1418(6) -0.0039(3) 0.7554(5) 0.0287(18) Uani 1 1 d .
H39A H 0.1396 -0.0225 0.7070 0.034 Uiso 1 1 calc R
H39B H 0.1120 0.0300 0.7342 0.034 Uiso 1 1 calc R
C40 C 0.0695(6) -0.0305(2) 0.7829(5) 0.0283(18) Uani 1 1 d .
H40A H -0.0064 -0.0343 0.7323 0.034 Uiso 1 1 calc R
H40B H 0.0652 -0.0103 0.8271 0.034 Uiso 1 1 calc R
C41 C 0.1177(5) -0.0819(2) 0.8203(5) 0.0253(17) Uani 1 1 d .
H41A H 0.1142 -0.1033 0.7740 0.030 Uiso 1 1 calc R
H41B H 0.0726 -0.0980 0.8412 0.030 Uiso 1 1 calc R
C42 C 0.2380(5) -0.0781(2) 0.8952(5) 0.0234(16) Uani 1 1 d .
H42A H 0.2675 -0.1120 0.9167 0.028 Uiso 1 1 calc R
H42B H 0.2410 -0.0590 0.9435 0.028 Uiso 1 1 calc R
C43 C 0.5255(5) -0.1058(2) 0.9506(4) 0.0163(14) Uani 1 1 d .
H43 H 0.5208 -0.1070 0.8933 0.020 Uiso 1 1 calc R
C44 C 0.6481(5) -0.1073(2) 1.0202(5) 0.0244(17) Uani 1 1 d .
H44A H 0.6562 -0.1059 1.0781 0.029 Uiso 1 1 calc R
H44B H 0.6855 -0.0776 1.0141 0.029 Uiso 1 1 calc R
C45 C 0.7042(5) -0.1548(2) 1.0137(5) 0.0245(17) Uani 1 1 d .
H45A H 0.7038 -0.1543 0.9585 0.029 Uiso 1 1 calc R
H45B H 0.7823 -0.1554 1.0619 0.029 Uiso 1 1 calc R
C46 C 0.6461(5) -0.2013(2) 1.0173(5) 0.0257(17) Uani 1 1 d .
H46A H 0.6555 -0.2042 1.0756 0.031 Uiso 1 1 calc R
H46B H 0.6806 -0.2311 1.0081 0.031 Uiso 1 1 calc R
C47 C 0.5242(6) -0.2005(2) 0.9496(5) 0.0308(19) Uani 1 1 d .
H47A H 0.4878 -0.2301 0.9570 0.037 Uiso 1 1 calc R
H47B H 0.5144 -0.2021 0.8912 0.037 Uiso 1 1 calc R
C48 C 0.4694(5) -0.1532(2) 0.9570(5) 0.0217(16) Uani 1 1 d .
H48A H 0.4726 -0.1533 1.0133 0.026 Uiso 1 1 calc R
H48B H 0.3905 -0.1530 0.9103 0.026 Uiso 1 1 calc R
F1 F 0.6560(4) 0.2947(2) 0.7570(3) 0.0560(15) Uani 1 1 d U
F2 F 0.7938(8) 0.3461(3) 0.7961(8) 0.172(5) Uani 1 1 d U
F3 F 0.7766(5) 0.2934(4) 0.7077(5) 0.140(4) Uani 1 1 d U
F4 F 0.8231(7) 0.2734(5) 0.8352(8) 0.212(6) Uani 1 1 d U
B1 B 0.7632(7) 0.3021(3) 0.7739(6) 0.028(2) Uani 1 1 d .
Cl1 Cl 0.0438(2) 0.06826(10) 0.5540(2) 0.0691(8) Uani 1 1 d .
Cl2 Cl 0.1059(3) 0.10435(13) 0.4339(3) 0.1113(14) Uani 1 1 d .
C49 C 0.0276(8) 0.1153(3) 0.4815(7) 0.057(3) Uani 1 1 d .
H49A H -0.0515 0.1177 0.4355 0.069 Uiso 1 1 calc R
H49B H 0.0498 0.1477 0.5124 0.069 Uiso 1 1 calc R
Cl3 Cl 0.0868(2) 0.24324(9) 0.43246(17) 0.0606(7) Uani 1 1 d .
Cl4 Cl 0.1269(2) 0.21962(12) 0.29343(19) 0.0752(9) Uani 1 1 d .
C50 C 0.0293(7) 0.2222(3) 0.3253(6) 0.048(2) Uani 1 1 d .
H50A H -0.0025 0.1884 0.3199 0.058 Uiso 1 1 calc R
H50B H -0.0316 0.2449 0.2859 0.058 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B .0013 .0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0171 .0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 '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
P1 Pt1 P4 108.04(6) . .
P1 Pt1 P4 167.07(6) . 3_657
P4 Pt1 P4 76.61(6) . 3_657
P1 Pt1 Pt2 51.11(4) . .
P4 Pt1 Pt2 157.33(5) . .
P4 Pt1 Pt2 125.78(4) 3_657 .
P1 Pt1 H1M 85(2) . .
P4 Pt1 H1M 166(2) . .
P4 Pt1 H1M 91(2) 3_657 .
Pt2 Pt1 H1M 35(2) . .
P3 Pt2 P1 94.71(6) . .
P3 Pt2 P2 96.48(6) . .
P1 Pt2 P2 167.02(6) . .
P3 Pt2 Pt1 145.04(4) . .
P1 Pt2 Pt1 50.61(5) . .
P2 Pt2 Pt1 117.51(5) . .
P3 Pt2 H1M 178(2) . .
P1 Pt2 H1M 86(2) . .
P2 Pt2 H1M 83(2) . .
Pt1 Pt2 H1M 36(2) . .
C1 P1 C7 105.2(3) . .
C1 P1 Pt1 126.9(2) . .
C7 P1 Pt1 113.3(2) . .
C1 P1 Pt2 115.5(2) . .
C7 P1 Pt2 116.3(2) . .
Pt1 P1 Pt2 78.29(5) . .
O1 P2 C19 105.4(3) . .
O1 P2 C13 106.9(3) . .
C19 P2 C13 105.6(3) . .
O1 P2 Pt2 108.45(18) . .
C19 P2 Pt2 118.0(2) . .
C13 P2 Pt2 111.8(2) . .
C25 P3 C31 109.7(3) . .
C25 P3 Pt2 118.0(2) . .
C31 P3 Pt2 114.9(2) . .
C25 P3 H3 101(3) . .
C31 P3 H3 97(3) . .
Pt2 P3 H3 113(3) . .
C43 P4 C37 105.9(3) . .
C43 P4 Pt1 110.7(2) . .
C37 P4 Pt1 107.3(2) . .
C43 P4 Pt1 121.0(2) . 3_657
C37 P4 Pt1 107.9(2) . 3_657
Pt1 P4 Pt1 103.39(6) . 3_657
P2 O1 H1 109.5 . .
C2 C1 C6 109.8(5) . .
C2 C1 P1 113.7(5) . .
C6 C1 P1 111.1(5) . .
C2 C1 H1A 107.3 . .
C6 C1 H1A 107.3 . .
P1 C1 H1A 107.3 . .
C1 C2 C3 111.3(6) . .
C1 C2 H2A 109.4 . .
C3 C2 H2A 109.4 . .
C1 C2 H2B 109.4 . .
C3 C2 H2B 109.4 . .
H2A C2 H2B 108.0 . .
C4 C3 C2 110.9(6) . .
C4 C3 H3A 109.5 . .
C2 C3 H3A 109.5 . .
C4 C3 H3B 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 108.0 . .
C5 C4 C3 111.0(6) . .
C5 C4 H4A 109.4 . .
C3 C4 H4A 109.4 . .
C5 C4 H4B 109.4 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
C4 C5 C6 110.7(6) . .
C4 C5 H5A 109.5 . .
C6 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C6 C5 H5B 109.5 . .
H5A C5 H5B 108.1 . .
C5 C6 C1 111.5(6) . .
C5 C6 H6A 109.3 . .
C1 C6 H6A 109.3 . .
C5 C6 H6B 109.3 . .
C1 C6 H6B 109.3 . .
H6A C6 H6B 108.0 . .
C8 C7 C12 109.5(5) . .
C8 C7 P1 116.5(5) . .
C12 C7 P1 109.4(4) . .
C8 C7 H7 107.0 . .
C12 C7 H7 107.0 . .
P1 C7 H7 107.0 . .
C9 C8 C7 110.7(6) . .
C9 C8 H8A 109.5 . .
C7 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
C10 C9 C8 111.0(6) . .
C10 C9 H9A 109.4 . .
C8 C9 H9A 109.4 . .
C10 C9 H9B 109.4 . .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C9 C10 C11 112.5(6) . .
C9 C10 H10A 109.1 . .
C11 C10 H10A 109.1 . .
C9 C10 H10B 109.1 . .
C11 C10 H10B 109.1 . .
H10A C10 H10B 107.8 . .
C12 C11 C10 111.3(6) . .
C12 C11 H11A 109.4 . .
C10 C11 H11A 109.4 . .
C12 C11 H11B 109.4 . .
C10 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C11 C12 C7 109.7(5) . .
C11 C12 H12A 109.7 . .
C7 C12 H12A 109.7 . .
C11 C12 H12B 109.7 . .
C7 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C18 C13 C14 109.4(6) . .
C18 C13 P2 113.3(5) . .
C14 C13 P2 112.0(5) . .
C18 C13 H13 107.3 . .
C14 C13 H13 107.3 . .
P2 C13 H13 107.3 . .
C15 C14 C13 110.5(7) . .
C15 C14 H14A 109.6 . .
C13 C14 H14A 109.6 . .
C15 C14 H14B 109.6 . .
C13 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
C16 C15 C14 111.0(7) . .
C16 C15 H15A 109.4 . .
C14 C15 H15A 109.4 . .
C16 C15 H15B 109.4 . .
C14 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C17 C16 C15 110.8(7) . .
C17 C16 H16A 109.5 . .
C15 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
C18 C17 C16 112.0(7) . .
C18 C17 H17A 109.2 . .
C16 C17 H17A 109.2 . .
C18 C17 H17B 109.2 . .
C16 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C17 C18 C13 112.5(6) . .
C17 C18 H18A 109.1 . .
C13 C18 H18A 109.1 . .
C17 C18 H18B 109.1 . .
C13 C18 H18B 109.1 . .
H18A C18 H18B 107.8 . .
C20 C19 C24 111.5(5) . .
C20 C19 P2 114.2(5) . .
C24 C19 P2 110.6(5) . .
C20 C19 H19 106.7 . .
C24 C19 H19 106.7 . .
P2 C19 H19 106.7 . .
C19 C20 C21 111.7(6) . .
C19 C20 H20A 109.3 . .
C21 C20 H20A 109.3 . .
C19 C20 H20B 109.3 . .
C21 C20 H20B 109.3 . .
H20A C20 H20B 107.9 . .
C22 C21 C20 110.9(6) . .
C22 C21 H21A 109.5 . .
C20 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 108.0 . .
C23 C22 C21 110.3(6) . .
C23 C22 H22A 109.6 . .
C21 C22 H22A 109.6 . .
C23 C22 H22B 109.6 . .
C21 C22 H22B 109.6 . .
H22A C22 H22B 108.1 . .
C22 C23 C24 111.4(6) . .
C22 C23 H23A 109.3 . .
C24 C23 H23A 109.3 . .
C22 C23 H23B 109.3 . .
C24 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
C19 C24 C23 111.7(6) . .
C19 C24 H24A 109.3 . .
C23 C24 H24A 109.3 . .
C19 C24 H24B 109.3 . .
C23 C24 H24B 109.3 . .
H24A C24 H24B 107.9 . .
C26 C25 C30 109.5(6) . .
C26 C25 P3 110.4(5) . .
C30 C25 P3 114.1(5) . .
C26 C25 H25 107.5 . .
C30 C25 H25 107.5 . .
P3 C25 H25 107.5 . .
C25 C26 C27 109.7(6) . .
C25 C26 H26A 109.7 . .
C27 C26 H26A 109.7 . .
C25 C26 H26B 109.7 . .
C27 C26 H26B 109.7 . .
H26A C26 H26B 108.2 . .
C28 C27 C26 111.4(6) . .
C28 C27 H27A 109.3 . .
C26 C27 H27A 109.3 . .
C28 C27 H27B 109.3 . .
C26 C27 H27B 109.3 . .
H27A C27 H27B 108.0 . .
C29 C28 C27 111.5(6) . .
C29 C28 H28A 109.3 . .
C27 C28 H28A 109.3 . .
C29 C28 H28B 109.3 . .
C27 C28 H28B 109.3 . .
H28A C28 H28B 108.0 . .
C28 C29 C30 111.8(7) . .
C28 C29 H29A 109.3 . .
C30 C29 H29A 109.3 . .
C28 C29 H29B 109.3 . .
C30 C29 H29B 109.3 . .
H29A C29 H29B 107.9 . .
C29 C30 C25 111.4(7) . .
C29 C30 H30A 109.4 . .
C25 C30 H30A 109.4 . .
C29 C30 H30B 109.4 . .
C25 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
C32 C31 C36 109.2(6) . .
C32 C31 P3 110.8(4) . .
C36 C31 P3 116.3(4) . .
C32 C31 H31 106.6 . .
C36 C31 H31 106.6 . .
P3 C31 H31 106.6 . .
C33 C32 C31 111.0(5) . .
C33 C32 H32A 109.4 . .
C31 C32 H32A 109.4 . .
C33 C32 H32B 109.4 . .
C31 C32 H32B 109.4 . .
H32A C32 H32B 108.0 . .
C32 C33 C34 111.8(6) . .
C32 C33 H33A 109.3 . .
C34 C33 H33A 109.3 . .
C32 C33 H33B 109.3 . .
C34 C33 H33B 109.3 . .
H33A C33 H33B 107.9 . .
C33 C34 C35 111.4(6) . .
C33 C34 H34A 109.3 . .
C35 C34 H34A 109.3 . .
C33 C34 H34B 109.3 . .
C35 C34 H34B 109.3 . .
H34A C34 H34B 108.0 . .
C36 C35 C34 111.8(6) . .
C36 C35 H35A 109.3 . .
C34 C35 H35A 109.3 . .
C36 C35 H35B 109.3 . .
C34 C35 H35B 109.3 . .
H35A C35 H35B 107.9 . .
C35 C36 C31 110.1(6) . .
C35 C36 H36A 109.7 . .
C31 C36 H36A 109.7 . .
C35 C36 H36B 109.7 . .
C31 C36 H36B 109.7 . .
H36A C36 H36B 108.2 . .
C38 C37 C42 108.2(5) . .
C38 C37 P4 111.1(4) . .
C42 C37 P4 113.2(5) . .
C38 C37 H37 108.0 . .
C42 C37 H37 108.0 . .
P4 C37 H37 108.0 . .
C39 C38 C37 111.3(5) . .
C39 C38 H38A 109.4 . .
C37 C38 H38A 109.4 . .
C39 C38 H38B 109.4 . .
C37 C38 H38B 109.4 . .
H38A C38 H38B 108.0 . .
C38 C39 C40 111.7(6) . .
C38 C39 H39A 109.3 . .
C40 C39 H39A 109.3 . .
C38 C39 H39B 109.3 . .
C40 C39 H39B 109.3 . .
H39A C39 H39B 107.9 . .
C39 C40 C41 110.1(6) . .
C39 C40 H40A 109.6 . .
C41 C40 H40A 109.6 . .
C39 C40 H40B 109.6 . .
C41 C40 H40B 109.6 . .
H40A C40 H40B 108.2 . .
C40 C41 C42 111.5(5) . .
C40 C41 H41A 109.3 . .
C42 C41 H41A 109.3 . .
C40 C41 H41B 109.3 . .
C42 C41 H41B 109.3 . .
H41A C41 H41B 108.0 . .
C41 C42 C37 110.8(6) . .
C41 C42 H42A 109.5 . .
C37 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
C37 C42 H42B 109.5 . .
H42A C42 H42B 108.1 . .
C44 C43 C48 109.0(5) . .
C44 C43 P4 111.9(4) . .
C48 C43 P4 114.9(4) . .
C44 C43 H43 106.9 . .
C48 C43 H43 106.9 . .
P4 C43 H43 106.9 . .
C43 C44 C45 111.8(5) . .
C43 C44 H44A 109.3 . .
C45 C44 H44A 109.3 . .
C43 C44 H44B 109.3 . .
C45 C44 H44B 109.3 . .
H44A C44 H44B 107.9 . .
C46 C45 C44 111.5(6) . .
C46 C45 H45A 109.3 . .
C44 C45 H45A 109.3 . .
C46 C45 H45B 109.3 . .
C44 C45 H45B 109.3 . .
H45A C45 H45B 108.0 . .
C45 C46 C47 111.7(6) . .
C45 C46 H46A 109.3 . .
C47 C46 H46A 109.3 . .
C45 C46 H46B 109.3 . .
C47 C46 H46B 109.3 . .
H46A C46 H46B 107.9 . .
C46 C47 C48 111.1(6) . .
C46 C47 H47A 109.4 . .
C48 C47 H47A 109.4 . .
C46 C47 H47B 109.4 . .
C48 C47 H47B 109.4 . .
H47A C47 H47B 108.0 . .
C47 C48 C43 112.1(6) . .
C47 C48 H48A 109.2 . .
C43 C48 H48A 109.2 . .
C47 C48 H48B 109.2 . .
C43 C48 H48B 109.2 . .
H48A C48 H48B 107.9 . .
F2 B1 F4 109.5(11) . .
F2 B1 F3 105.6(9) . .
F4 B1 F3 110.0(10) . .
F2 B1 F1 111.2(8) . .
F4 B1 F1 105.6(8) . .
F3 B1 F1 115.0(7) . .
Cl2 C49 Cl1 112.3(5) . .
Cl2 C49 H49A 109.2 . .
Cl1 C49 H49A 109.2 . .
Cl2 C49 H49B 109.2 . .
Cl1 C49 H49B 109.2 . .
H49A C49 H49B 107.9 . .
Cl4 C50 Cl3 112.3(5) . .
Cl4 C50 H50A 109.2 . .
Cl3 C50 H50A 109.2 . .
Cl4 C50 H50B 109.2 . .
Cl3 C50 H50B 109.2 . .
H50A C50 H50B 107.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.2883(19) .
Pt1 P4 2.3114(17) .
Pt1 P4 2.3448(19) 3_657
Pt1 Pt2 2.8994(6) .
Pt1 H1M 1.81(7) .
Pt2 P3 2.2684(19) .
Pt2 P1 2.3047(17) .
Pt2 P2 2.3079(18) .
Pt2 H1M 1.75(8) .
P1 C1 1.834(7) .
P1 C7 1.862(6) .
P2 O1 1.612(5) .
P2 C19 1.812(7) .
P2 C13 1.841(6) .
P3 C25 1.847(7) .
P3 C31 1.848(7) .
P3 H3 1.19(6) .
P4 C43 1.849(6) .
P4 C37 1.872(6) .
P4 Pt1 2.3446(19) 3_657
O1 H1 0.8400 .
C1 C2 1.526(8) .
C1 C6 1.536(9) .
C1 H1A 1.0000 .
C2 C3 1.529(9) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.513(9) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.507(9) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.523(10) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.532(9) .
C7 C12 1.545(9) .
C7 H7 1.0000 .
C8 C9 1.522(9) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.504(10) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.531(10) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.528(9) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C18 1.533(9) .
C13 C14 1.552(9) .
C13 H13 1.0000 .
C14 C15 1.533(10) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.521(12) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.516(11) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.514(10) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.530(9) .
C19 C24 1.534(9) .
C19 H19 1.0000 .
C20 C21 1.535(10) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.528(10) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.517(9) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.539(9) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.520(10) .
C25 C30 1.530(10) .
C25 H25 1.0000 .
C26 C27 1.525(9) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.521(11) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.513(11) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.529(10) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.521(9) .
C31 C36 1.541(9) .
C31 H31 1.0000 .
C32 C33 1.517(9) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.523(9) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.524(10) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.504(9) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.538(8) .
C37 C42 1.553(9) .
C37 H37 1.0000 .
C38 C39 1.517(9) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.521(10) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.527(9) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.532(9) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.525(9) .
C43 C48 1.530(8) .
C43 H43 1.0000 .
C44 C45 1.532(9) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.510(9) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 C47 1.510(9) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 C48 1.523(9) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
F1 B1 1.394(10) .
F2 B1 1.245(10) .
F3 B1 1.321(11) .
F4 B1 1.248(11) .
Cl1 C49 1.741(10) .
Cl2 C49 1.737(10) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
Cl3 C50 1.756(10) .
Cl4 C50 1.745(9) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
