#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:44:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178721 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/32/4083276.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_4083276
loop_
_publ_author_name
'Macha, Bret B.'
'Boudreau, Josée'
'Maron, Laurent'
'Maris, Thierry'
'Fontaine, Frédéric-Georges'
_publ_section_title
;
 Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to
 Electronically Unsaturated Group 10 Transition Metals
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              6428
_journal_paper_doi               10.1021/om300668u
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C37 H60 B2 P2 Pt'
_chemical_formula_weight         783.50
_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                106.09(3)
_cell_angle_beta                 94.29(3)
_cell_angle_gamma                103.88(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6500(17)
_cell_length_b                   11.990(2)
_cell_length_c                   18.210(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1741.3(7)
_computing_cell_refinement       'APEX 2 (Bruker, 2005b)'
_computing_data_collection       'APEX 2 (Bruker, 2005b)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker Smart APEX II CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0868
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            71065
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         67.50
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    8.569
_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.4674
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'XPREP (Bruker, 2005a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.814
_refine_diff_density_min         -0.973
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         6222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.183
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0818
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1146P)²+11.5716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2117
_refine_ls_wR_factor_ref         0.2258
_reflns_number_gt                5150
_reflns_number_total             6222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300668u_si_006.cif
_cod_data_source_block           frede9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1741.3(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4083276
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
Pt1 Pt 0.71641(6) 0.06930(4) 0.18496(3) 0.0562(2) Uani 1 1 d .
P1 P 0.7489(4) 0.2568(3) 0.26934(18) 0.0520(7) Uani 1 1 d .
P2 P 0.3710(3) -0.1943(3) 0.29298(18) 0.0518(7) Uani 1 1 d .
C1 C 0.8469(16) 0.3138(13) 0.1233(7) 0.066(3) Uani 1 1 d .
H1 H 0.7854 0.3686 0.1278 0.080 Uiso 1 1 calc R
C3 C 1.005(2) 0.2018(17) 0.0488(10) 0.092(5) Uani 1 1 d .
H3 H 1.0456 0.1803 0.0025 0.110 Uiso 1 1 calc R
C4 C 0.9792(16) 0.1802(12) 0.1778(9) 0.068(3) Uani 1 1 d .
C5 C 0.917(3) 0.1842(16) 0.3711(11) 0.105(6) Uani 1 1 d .
H5A H 0.9610 0.1959 0.4236 0.157 Uiso 1 1 calc R
H5B H 0.9964 0.1694 0.3382 0.157 Uiso 1 1 calc R
H5C H 0.8234 0.1164 0.3550 0.157 Uiso 1 1 calc R
C6 C 0.8719(17) 0.2953(12) 0.3659(7) 0.062(3) Uani 1 1 d .
C7 C 1.018(2) 0.3950(17) 0.3709(10) 0.099(6) Uani 1 1 d .
H7A H 1.0835 0.4169 0.4202 0.148 Uiso 1 1 calc R
H7B H 0.9853 0.4637 0.3651 0.148 Uiso 1 1 calc R
H7C H 1.0783 0.3687 0.3305 0.148 Uiso 1 1 calc R
C8 C 0.784(2) 0.3304(19) 0.4325(10) 0.099(5) Uani 1 1 d .
H8A H 0.6780 0.2759 0.4221 0.148 Uiso 1 1 calc R
H8B H 0.7758 0.4111 0.4398 0.148 Uiso 1 1 calc R
H8C H 0.8419 0.3268 0.4785 0.148 Uiso 1 1 calc R
C9 C 0.4730(18) 0.3153(13) 0.3283(9) 0.074(4) Uani 1 1 d .
H9A H 0.3858 0.3499 0.3215 0.111 Uiso 1 1 calc R
H9B H 0.5336 0.3556 0.3791 0.111 Uiso 1 1 calc R
H9C H 0.4307 0.2311 0.3224 0.111 Uiso 1 1 calc R
C10 C 0.4822(16) 0.2686(13) 0.1898(9) 0.072(4) Uani 1 1 d .
H10A H 0.4385 0.1845 0.1836 0.108 Uiso 1 1 calc R
H10B H 0.5490 0.2776 0.1509 0.108 Uiso 1 1 calc R
H10C H 0.3958 0.3048 0.1847 0.108 Uiso 1 1 calc R
C11 C 0.6531(17) 0.4624(11) 0.2796(8) 0.066(3) Uani 1 1 d .
H11A H 0.7080 0.4716 0.2368 0.099 Uiso 1 1 calc R
H11B H 0.7281 0.4975 0.3268 0.099 Uiso 1 1 calc R
H11C H 0.5687 0.5021 0.2821 0.099 Uiso 1 1 calc R
C12 C 0.5814(14) 0.3299(11) 0.2686(8) 0.058(3) Uani 1 1 d .
C13 C 0.4963(15) -0.0349(11) 0.1974(7) 0.058(3) Uani 1 1 d .
H13 H 0.4437 0.0183 0.2315 0.070 Uiso 1 1 calc R
C14 C 0.4038(15) -0.0756(12) 0.1158(8) 0.064(3) Uani 1 1 d .
H14A H 0.3043 -0.1358 0.1131 0.076 Uiso 1 1 calc R
H14B H 0.3756 -0.0071 0.1057 0.076 Uiso 1 1 calc R
C15 C 0.4946(17) -0.1276(12) 0.0533(7) 0.064(3) Uani 1 1 d .
H15A H 0.4758 -0.2133 0.0459 0.077 Uiso 1 1 calc R
H15B H 0.4541 -0.1176 0.0051 0.077 Uiso 1 1 calc R
C16 C 0.6684(18) -0.0691(12) 0.0727(7) 0.067(3) Uani 1 1 d .
H16 H 0.7158 -0.0405 0.0318 0.081 Uiso 1 1 calc R
C17 C 0.7757(18) -0.0956(11) 0.1210(8) 0.068(4) Uani 1 1 d .
H17 H 0.8852 -0.0804 0.1081 0.081 Uiso 1 1 calc R
C18 C 0.7406(16) -0.1879(11) 0.1642(8) 0.064(3) Uani 1 1 d .
H18A H 0.7697 -0.2584 0.1342 0.077 Uiso 1 1 calc R
H18B H 0.8149 -0.1551 0.2124 0.077 Uiso 1 1 calc R
C19 C 0.5779(15) -0.2321(11) 0.1841(8) 0.059(3) Uani 1 1 d .
H19A H 0.5811 -0.2907 0.2113 0.070 Uiso 1 1 calc R
H19B H 0.5017 -0.2725 0.1368 0.070 Uiso 1 1 calc R
C20 C 0.5194(14) -0.1301(11) 0.2344(7) 0.056(3) Uani 1 1 d .
H20 H 0.6141 -0.0856 0.2737 0.067 Uiso 1 1 calc R
C21 C 0.6690(15) -0.1955(11) 0.3843(7) 0.059(3) Uani 1 1 d .
H21 H 0.7236 -0.1392 0.3623 0.070 Uiso 1 1 calc R
C22 C 0.754(2) -0.2314(14) 0.4379(7) 0.070(4) Uani 1 1 d .
H22 H 0.8644 -0.1989 0.4517 0.085 Uiso 1 1 calc R
C23 C 0.6736(18) -0.3139(13) 0.4700(8) 0.070(4) Uani 1 1 d .
H23 H 0.7325 -0.3369 0.5052 0.084 Uiso 1 1 calc R
C24 C 0.512(2) -0.3640(12) 0.4529(8) 0.068(4) Uani 1 1 d .
H24 H 0.4647 -0.4193 0.4772 0.081 Uiso 1 1 calc R
C25 C 0.4163(17) -0.3357(12) 0.4004(8) 0.064(3) Uani 1 1 d .
H25 H 0.3058 -0.3714 0.3891 0.076 Uiso 1 1 calc R
C26 C 0.2580(19) -0.4378(12) 0.2127(9) 0.074(4) Uani 1 1 d .
H26A H 0.2846 -0.4572 0.2590 0.111 Uiso 1 1 calc R
H26B H 0.3518 -0.4243 0.1879 0.111 Uiso 1 1 calc R
H26C H 0.1744 -0.5036 0.1784 0.111 Uiso 1 1 calc R
C27 C 0.1991(15) -0.3228(12) 0.2336(8) 0.065(3) Uani 1 1 d .
C28 C 0.0630(16) -0.3442(13) 0.2789(10) 0.075(4) Uani 1 1 d .
H28A H 0.0113 -0.2804 0.2849 0.113 Uiso 1 1 calc R
H28B H 0.1042 -0.3459 0.3289 0.113 Uiso 1 1 calc R
H28C H -0.0136 -0.4200 0.2518 0.113 Uiso 1 1 calc R
C29 C 0.1392(17) -0.3038(14) 0.1590(9) 0.076(4) Uani 1 1 d .
H29A H 0.0486 -0.3703 0.1314 0.114 Uiso 1 1 calc R
H29B H 0.2238 -0.2988 0.1279 0.114 Uiso 1 1 calc R
H29C H 0.1071 -0.2303 0.1705 0.114 Uiso 1 1 calc R
C30 C 0.2265(17) -0.1034(13) 0.4206(8) 0.070(3) Uani 1 1 d .
H30A H 0.2118 -0.0330 0.4570 0.105 Uiso 1 1 calc R
H30B H 0.2968 -0.1369 0.4458 0.105 Uiso 1 1 calc R
H30C H 0.1242 -0.1620 0.4008 0.105 Uiso 1 1 calc R
C31 C 0.4531(16) 0.0344(11) 0.3906(8) 0.061(3) Uani 1 1 d .
H31A H 0.4268 0.0988 0.4277 0.092 Uiso 1 1 calc R
H31B H 0.4984 0.0634 0.3507 0.092 Uiso 1 1 calc R
H31C H 0.5299 0.0058 0.4159 0.092 Uiso 1 1 calc R
C32 C 0.2999(16) -0.0691(12) 0.3549(8) 0.063(3) Uani 1 1 d .
C33 C 0.1816(17) -0.0264(13) 0.3095(9) 0.074(4) Uani 1 1 d .
H33A H 0.0800 -0.0869 0.2939 0.110 Uiso 1 1 calc R
H33B H 0.2242 -0.0130 0.2645 0.110 Uiso 1 1 calc R
H33C H 0.1667 0.0474 0.3416 0.110 Uiso 1 1 calc R
C67 C 1.0423(18) 0.1542(14) 0.1066(11) 0.084(5) Uani 1 1 d .
H67 H 1.1103 0.1039 0.0990 0.101 Uiso 1 1 calc R
C95 C 0.912(2) 0.2789(16) 0.0578(9) 0.085(5) Uani 1 1 d .
H95 H 0.8910 0.3094 0.0174 0.102 Uiso 1 1 calc R
B1 B 0.8747(17) 0.2642(14) 0.1871(9) 0.062(4) Uani 1 1 d .
B2 B 0.4950(17) -0.2465(13) 0.3627(8) 0.054(3) Uani 1 1 d .
C90 C 0.375(3) 0.4455(18) 0.0274(11) 0.102(6) Uani 1 1 d .
H90 H 0.2878 0.4107 0.0483 0.123 Uiso 1 1 calc R
C91 C 0.351(3) 0.4926(19) -0.0299(11) 0.098(5) Uani 1 1 d .
H91 H 0.2472 0.4842 -0.0523 0.117 Uiso 1 1 calc R
C92 C 0.523(3) 0.4491(18) 0.0541(11) 0.103(6) Uani 1 1 d .
H92 H 0.5393 0.4099 0.0904 0.124 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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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
C13 Pt1 C16 82.0(5) .
C13 Pt1 C17 89.7(5) .
C16 Pt1 C17 36.8(5) .
C13 Pt1 P1 105.6(4) .
C16 Pt1 P1 156.8(4) .
C17 Pt1 P1 159.6(4) .
C13 Pt1 C4 174.9(5) .
C16 Pt1 C4 99.0(5) .
C17 Pt1 C4 88.2(5) .
P1 Pt1 C4 75.4(4) .
C13 Pt1 B1 147.3(5) .
C16 Pt1 B1 114.8(5) .
C17 Pt1 B1 121.0(5) .
P1 Pt1 B1 48.5(4) .
C4 Pt1 B1 36.5(5) .
C6 P1 C12 114.8(6) .
C6 P1 B1 113.9(6) .
C12 P1 B1 114.2(7) .
C6 P1 Pt1 117.8(4) .
C12 P1 Pt1 119.0(4) .
B1 P1 Pt1 68.8(5) .
C27 P2 C32 111.8(6) .
C27 P2 C20 114.0(6) .
C32 P2 C20 108.8(6) .
C27 P2 B2 110.3(6) .
C32 P2 B2 106.3(6) .
C20 P2 B2 105.3(6) .
C95 C1 B1 119.5(15) .
C95 C1 H1 120.2 .
B1 C1 H1 120.2 .
C95 C3 C67 121.7(15) .
C95 C3 H3 119.2 .
C67 C3 H3 119.2 .
C67 C4 B1 116.3(14) .
C67 C4 Pt1 119.8(10) .
B1 C4 Pt1 72.6(8) .
C6 C5 H5A 109.5 .
C6 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
C6 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C7 C6 C8 110.3(14) .
C7 C6 C5 111.1(15) .
C8 C6 C5 106.0(15) .
C7 C6 P1 107.7(10) .
C8 C6 P1 114.1(11) .
C5 C6 P1 107.6(10) .
C6 C7 H7A 109.5 .
C6 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C6 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C6 C8 H8A 109.5 .
C6 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C6 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C12 C9 H9A 109.5 .
C12 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C12 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C12 C10 H10A 109.5 .
C12 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C12 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C12 C11 H11A 109.5 .
C12 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C12 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C10 C12 C9 108.2(12) .
C10 C12 C11 110.5(11) .
C9 C12 C11 109.6(11) .
C10 C12 P1 105.2(9) .
C9 C12 P1 114.8(9) .
C11 C12 P1 108.5(9) .
C20 C13 C14 118.8(11) .
C20 C13 Pt1 111.0(8) .
C14 C13 Pt1 101.9(8) .
C20 C13 H13 108.2 .
C14 C13 H13 108.2 .
Pt1 C13 H13 108.2 .
C15 C14 C13 114.4(11) .
C15 C14 H14A 108.7 .
C13 C14 H14A 108.7 .
C15 C14 H14B 108.7 .
C13 C14 H14B 108.7 .
H14A C14 H14B 107.6 .
C16 C15 C14 111.8(10) .
C16 C15 H15A 109.3 .
C14 C15 H15A 109.3 .
C16 C15 H15B 109.3 .
C14 C15 H15B 109.3 .
H15A C15 H15B 107.9 .
C17 C16 C15 125.5(14) .
C17 C16 Pt1 72.2(7) .
C15 C16 Pt1 109.0(9) .
C17 C16 H16 114.1 .
C15 C16 H16 114.1 .
Pt1 C16 H16 114.1 .
C16 C17 C18 128.1(13) .
C16 C17 Pt1 71.0(7) .
C18 C17 Pt1 109.8(8) .
C16 C17 H17 113.2 .
C18 C17 H17 113.2 .
Pt1 C17 H17 113.2 .
C19 C18 C17 122.2(11) .
C19 C18 H18A 106.8 .
C17 C18 H18A 106.8 .
C19 C18 H18B 106.8 .
C17 C18 H18B 106.8 .
H18A C18 H18B 106.6 .
C18 C19 C20 112.4(10) .
C18 C19 H19A 109.1 .
C20 C19 H19A 109.1 .
C18 C19 H19B 109.1 .
C20 C19 H19B 109.1 .
H19A C19 H19B 107.9 .
C13 C20 C19 115.6(10) .
C13 C20 P2 122.8(9) .
C19 C20 P2 108.8(9) .
C13 C20 H20 102.0 .
C19 C20 H20 102.0 .
P2 C20 H20 102.0 .
C22 C21 B2 120.0(13) .
C22 C21 H21 120.0 .
B2 C21 H21 120.0 .
C23 C22 C21 119.9(15) .
C23 C22 H22 120.0 .
C21 C22 H22 120.0 .
C24 C23 C22 123.1(13) .
C24 C23 H23 118.5 .
C22 C23 H23 118.5 .
C23 C24 C25 122.1(13) .
C23 C24 H24 118.9 .
C25 C24 H24 118.9 .
C24 C25 B2 118.0(13) .
C24 C25 H25 121.0 .
B2 C25 H25 121.0 .
C27 C26 H26A 109.5 .
C27 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C27 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C28 C27 C29 109.9(12) .
C28 C27 C26 107.5(12) .
C29 C27 C26 107.9(12) .
C28 C27 P2 110.9(10) .
C29 C27 P2 112.3(9) .
C26 C27 P2 108.1(9) .
C27 C28 H28A 109.5 .
C27 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
C27 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
C27 C29 H29A 109.5 .
C27 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C27 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C32 C30 H30A 109.5 .
C32 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C32 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C32 C31 H31A 109.5 .
C32 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
C32 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
C30 C32 C33 109.9(12) .
C30 C32 C31 107.1(12) .
C33 C32 C31 109.7(11) .
C30 C32 P2 111.4(9) .
C33 C32 P2 113.4(10) .
C31 C32 P2 105.1(9) .
C32 C33 H33A 109.5 .
C32 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
C32 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C3 C67 C4 121.8(15) .
C3 C67 H67 119.1 .
C4 C67 H67 119.1 .
C3 C95 C1 122.7(17) .
C3 C95 H95 118.6 .
C1 C95 H95 118.6 .
C1 B1 C4 117.9(13) .
C1 B1 P1 127.4(11) .
C4 B1 P1 112.4(11) .
C1 B1 Pt1 121.0(9) .
C4 B1 Pt1 71.0(8) .
P1 B1 Pt1 62.7(5) .
C21 B2 C25 116.9(12) .
C21 B2 P2 121.7(10) .
C25 B2 P2 121.3(10) .
C92 C90 C91 119(2) .
C92 C90 H90 120.3 .
C91 C90 H90 120.3 .
C92 C91 C90 119.4(19) 2_665
C92 C91 H91 120.3 2_665
C90 C91 H91 120.3 .
C91 C92 C90 120.8(19) 2_665
C91 C92 H92 119.6 2_665
C90 C92 H92 119.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C13 2.078(12) .
Pt1 C16 2.183(12) .
Pt1 C17 2.197(11) .
Pt1 P1 2.283(3) .
Pt1 C4 2.375(13) .
Pt1 B1 2.397(16) .
P1 C6 1.862(13) .
P1 C12 1.866(12) .
P1 B1 1.925(16) .
P2 C27 1.868(13) .
P2 C32 1.874(14) .
P2 C20 1.887(13) .
P2 B2 1.927(14) .
C1 C95 1.36(2) .
C1 B1 1.47(2) .
C1 H1 0.9300 .
C3 C95 1.35(3) .
C3 C67 1.38(3) .
C3 H3 0.9300 .
C4 C67 1.43(2) .
C4 B1 1.49(2) .
C5 C6 1.50(2) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.49(2) .
C6 C8 1.50(2) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C12 1.507(19) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C12 1.504(19) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.510(18) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C13 C20 1.520(18) .
C13 C14 1.523(18) .
C13 H13 0.9800 .
C14 C15 1.509(19) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.47(2) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.38(2) .
C16 H16 0.9800 .
C17 C18 1.51(2) .
C17 H17 0.9800 .
C18 C19 1.490(18) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.528(16) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20 0.9800 .
C21 C22 1.397(18) .
C21 B2 1.460(19) .
C21 H21 0.9300 .
C22 C23 1.36(2) .
C22 H22 0.9300 .
C23 C24 1.35(2) .
C23 H23 0.9300 .
C24 C25 1.385(19) .
C24 H24 0.9300 .
C25 B2 1.48(2) .
C25 H25 0.9300 .
C26 C27 1.54(2) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.499(19) .
C27 C29 1.51(2) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 C32 1.504(19) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.534(18) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.534(19) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C67 H67 0.9300 .
C95 H95 0.9300 .
C90 C92 1.33(3) .
C90 C91 1.34(3) .
C90 H90 0.9300 .
C91 C92 1.32(3) 2_665
C91 H91 0.9300 .
C92 C91 1.32(3) 2_665
C92 H92 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C13 Pt1 P1 C6 96.5(6) .
C16 Pt1 P1 C6 -156.8(11) .
C17 Pt1 P1 C6 -40.7(12) .
C4 Pt1 P1 C6 -78.2(7) .
B1 Pt1 P1 C6 -106.7(7) .
C13 Pt1 P1 C12 -50.0(6) .
C16 Pt1 P1 C12 56.6(11) .
C17 Pt1 P1 C12 172.8(12) .
C4 Pt1 P1 C12 135.2(6) .
B1 Pt1 P1 C12 106.8(7) .
C13 Pt1 P1 B1 -156.8(6) .
C16 Pt1 P1 B1 -50.1(11) .
C17 Pt1 P1 B1 66.0(12) .
C4 Pt1 P1 B1 28.4(6) .
C13 Pt1 C4 C67 110(5) .
C16 Pt1 C4 C67 9.3(14) .
C17 Pt1 C4 C67 44.6(13) .
P1 Pt1 C4 C67 -147.7(13) .
B1 Pt1 C4 C67 -110.8(16) .
C13 Pt1 C4 B1 -139(5) .
C16 Pt1 C4 B1 120.1(9) .
C17 Pt1 C4 B1 155.4(9) .
P1 Pt1 C4 B1 -36.9(8) .
C12 P1 C6 C7 -96.8(13) .
B1 P1 C6 C7 37.6(14) .
Pt1 P1 C6 C7 115.3(11) .
C12 P1 C6 C8 26.1(14) .
B1 P1 C6 C8 160.4(12) .
Pt1 P1 C6 C8 -121.9(11) .
C12 P1 C6 C5 143.4(12) .
B1 P1 C6 C5 -82.3(14) .
Pt1 P1 C6 C5 -4.5(14) .
C6 P1 C12 C10 -169.7(9) .
B1 P1 C12 C10 56.1(10) .
Pt1 P1 C12 C10 -22.2(10) .
C6 P1 C12 C9 -50.9(12) .
B1 P1 C12 C9 174.9(10) .
Pt1 P1 C12 C9 96.6(10) .
C6 P1 C12 C11 72.0(11) .
B1 P1 C12 C11 -62.2(11) .
Pt1 P1 C12 C11 -140.5(8) .
C16 Pt1 C13 C20 91.0(9) .
C17 Pt1 C13 C20 54.8(9) .
P1 Pt1 C13 C20 -111.5(8) .
C4 Pt1 C13 C20 -11(6) .
B1 Pt1 C13 C20 -144.6(9) .
C16 Pt1 C13 C14 -36.5(8) .
C17 Pt1 C13 C14 -72.6(9) .
P1 Pt1 C13 C14 121.1(7) .
C4 Pt1 C13 C14 -138(5) .
B1 Pt1 C13 C14 88.0(12) .
C20 C13 C14 C15 -72.9(15) .
Pt1 C13 C14 C15 49.4(12) .
C13 C14 C15 C16 -33.5(16) .
C14 C15 C16 C17 81.0(16) .
C14 C15 C16 Pt1 -0.2(14) .
C13 Pt1 C16 C17 -100.2(9) .
P1 Pt1 C16 C17 148.5(8) .
C4 Pt1 C16 C17 74.7(9) .
B1 Pt1 C16 C17 109.2(9) .
C13 Pt1 C16 C15 22.1(10) .
C17 Pt1 C16 C15 122.3(15) .
P1 Pt1 C16 C15 -89.3(14) .
C4 Pt1 C16 C15 -163.1(10) .
B1 Pt1 C16 C15 -128.6(10) .
C15 C16 C17 C18 0(2) .
Pt1 C16 C17 C18 100.7(12) .
C15 C16 C17 Pt1 -101.0(12) .
C13 Pt1 C17 C16 77.1(9) .
P1 Pt1 C17 C16 -143.8(10) .
C4 Pt1 C17 C16 -107.6(9) .
B1 Pt1 C17 C16 -90.9(10) .
C13 Pt1 C17 C18 -47.6(10) .
C16 Pt1 C17 C18 -124.7(14) .
P1 Pt1 C17 C18 91.5(13) .
C4 Pt1 C17 C18 127.7(10) .
B1 Pt1 C17 C18 144.5(9) .
C16 C17 C18 C19 -23.5(19) .
Pt1 C17 C18 C19 57.5(14) .
C17 C18 C19 C20 -59.1(16) .
C14 C13 C20 C19 47.7(15) .
Pt1 C13 C20 C19 -69.8(12) .
C14 C13 C20 P2 -89.5(13) .
Pt1 C13 C20 P2 152.9(7) .
C18 C19 C20 C13 63.0(14) .
C18 C19 C20 P2 -154.1(9) .
C27 P2 C20 C13 85.0(11) .
C32 P2 C20 C13 -40.5(11) .
B2 P2 C20 C13 -154.0(10) .
C27 P2 C20 C19 -54.7(10) .
C32 P2 C20 C19 179.8(8) .
B2 P2 C20 C19 66.3(9) .
B2 C21 C22 C23 0.1(19) .
C21 C22 C23 C24 -1(2) .
C22 C23 C24 C25 1(2) .
C23 C24 C25 B2 0(2) .
C32 P2 C27 C28 -38.7(12) .
C20 P2 C27 C28 -162.6(10) .
B2 P2 C27 C28 79.3(11) .
C32 P2 C27 C29 84.8(12) .
C20 P2 C27 C29 -39.2(12) .
B2 P2 C27 C29 -157.3(10) .
C32 P2 C27 C26 -156.3(9) .
C20 P2 C27 C26 79.8(11) .
B2 P2 C27 C26 -38.3(12) .
C27 P2 C32 C30 71.9(11) .
C20 P2 C32 C30 -161.3(10) .
B2 P2 C32 C30 -48.4(11) .
C27 P2 C32 C33 -52.7(12) .
C20 P2 C32 C33 74.0(11) .
B2 P2 C32 C33 -173.1(10) .
C27 P2 C32 C31 -172.4(8) .
C20 P2 C32 C31 -45.7(10) .
B2 P2 C32 C31 67.2(10) .
C95 C3 C67 C4 2(2) .
B1 C4 C67 C3 -2(2) .
Pt1 C4 C67 C3 82.5(17) .
C67 C3 C95 C1 -1(3) .
B1 C1 C95 C3 -2(2) .
C95 C1 B1 C4 2(2) .
C95 C1 B1 P1 -159.0(12) .
C95 C1 B1 Pt1 -81.4(15) .
C67 C4 B1 C1 -0.6(18) .
Pt1 C4 B1 C1 -115.8(12) .
C67 C4 B1 P1 163.4(10) .
Pt1 C4 B1 P1 48.2(7) .
C67 C4 B1 Pt1 115.2(12) .
C6 P1 B1 C1 -138.4(12) .
C12 P1 B1 C1 -3.8(15) .
Pt1 P1 B1 C1 109.6(13) .
C6 P1 B1 C4 59.6(12) .
C12 P1 B1 C4 -165.8(9) .
Pt1 P1 B1 C4 -52.5(9) .
C6 P1 B1 Pt1 112.0(5) .
C12 P1 B1 Pt1 -113.4(5) .
C13 Pt1 B1 C1 -74.6(15) .
C16 Pt1 B1 C1 41.3(13) .
C17 Pt1 B1 C1 82.7(13) .
P1 Pt1 B1 C1 -119.2(13) .
C4 Pt1 B1 C1 111.7(15) .
C13 Pt1 B1 C4 173.8(8) .
C16 Pt1 B1 C4 -70.3(10) .
C17 Pt1 B1 C4 -29.0(11) .
P1 Pt1 B1 C4 129.1(10) .
C13 Pt1 B1 P1 44.6(11) .
C16 Pt1 B1 P1 160.5(5) .
C17 Pt1 B1 P1 -158.2(5) .
C4 Pt1 B1 P1 -129.1(10) .
C22 C21 B2 C25 0.2(18) .
C22 C21 B2 P2 176.8(10) .
C24 C25 B2 C21 0.0(18) .
C24 C25 B2 P2 -176.7(10) .
C27 P2 B2 C21 146.6(11) .
C32 P2 B2 C21 -92.0(11) .
C20 P2 B2 C21 23.3(12) .
C27 P2 B2 C25 -36.9(12) .
C32 P2 B2 C25 84.5(11) .
C20 P2 B2 C25 -160.2(10) .
C92 C90 C91 C92 -6(3) 2_665
C91 C90 C92 C91 6(3) 2_665
