#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:16:47 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178686 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/97/4079768.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_4079768
loop_
_publ_author_name
'Spokoyny, Alexander M.'
'Lewis, Calvin D.'
'Teverovskiy, Georgiy'
'Buchwald, Stephen L.'
_publ_section_title
;
 Extremely Electron-Rich, Boron-Functionalized, Icosahedral
 Carborane-Based Phosphinoboranes.
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              8478
_journal_page_last               8481
_journal_paper_doi               10.1021/om301116x
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C36 H54 B20 Cl4 P2 Pt2'
_chemical_formula_weight         1296.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 115.647(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.437(3)
_cell_length_b                   9.0908(10)
_cell_length_c                   25.040(3)
_cell_measurement_reflns_used    9215
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.52
_cell_measurement_theta_min      2.74
_cell_volume                     4809.4(10)
_computing_cell_refinement       'SAINT 7.46A (Bruker-AXS, 2011)'
_computing_data_collection       'APEX2 v2011.4.0 (Bruker-AXS, 2011)'
_computing_data_reduction        'SAINT 7.46A (Bruker-AXS, 2011)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart APEX2 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Incoatech ImuS multilayer optics'
_diffrn_radiation_source         'ImuS micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            82187
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         31.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    6.131
_exptl_absorpt_correction_T_max  0.6735
_exptl_absorpt_correction_T_min  0.3457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2009)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.570
_refine_diff_density_min         -3.077
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         7633
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0293
_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)+(0.0340P)²+46.3380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0828
_reflns_number_gt                6853
_reflns_number_total             7633
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om301116x_si_002.cif
_cod_data_source_block           4b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

 Adding full bibliography for 4079767--4079771.cif.
;
_cod_original_cell_volume        4809.4(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4079768
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.28764(4) 0.11321(10) 1.08589(4) 0.02336(16) Uani 1 1 d . . .
Pt1 Pt 0.2500 0.2500 1.0000 0.01478(5) Uani 1 2 d S . .
P1 P 0.32073(4) 0.15640(9) 0.96663(4) 0.01566(15) Uani 1 1 d . . .
C11 C 0.35867(15) 0.3112(4) 0.94881(16) 0.0188(6) Uani 1 1 d . . .
C12 C 0.36361(18) 0.3278(4) 0.89594(16) 0.0226(7) Uani 1 1 d . . .
H12 H 0.3443 0.2579 0.8651 0.027 Uiso 1 1 calc R . .
C13 C 0.39665(19) 0.4459(4) 0.88778(18) 0.0272(7) Uani 1 1 d . . .
H13 H 0.3997 0.4567 0.8514 0.033 Uiso 1 1 calc R . .
C14 C 0.42504(18) 0.5474(4) 0.9324(2) 0.0289(8) Uani 1 1 d . . .
H14 H 0.4485 0.6265 0.9270 0.035 Uiso 1 1 calc R . .
C15 C 0.41944(19) 0.5345(4) 0.9845(2) 0.0304(8) Uani 1 1 d . . .
H15 H 0.4386 0.6056 1.0149 0.036 Uiso 1 1 calc R . .
C16 C 0.38582(18) 0.4179(4) 0.99302(17) 0.0251(7) Uani 1 1 d . . .
H16 H 0.3813 0.4106 1.0288 0.030 Uiso 1 1 calc R . .
C21 C 0.38866(17) 0.0513(4) 1.01914(15) 0.0215(7) Uani 1 1 d . . .
C22 C 0.3784(2) -0.0763(4) 1.04514(17) 0.0270(8) Uani 1 1 d . . .
H22 H 0.3364 -0.1059 1.0366 0.032 Uiso 1 1 calc R . .
C23 C 0.4296(2) -0.1599(5) 1.08348(18) 0.0342(10) Uani 1 1 d . . .
H23 H 0.4224 -0.2466 1.1009 0.041 Uiso 1 1 calc R . .
C24 C 0.4908(2) -0.1172(6) 1.09636(18) 0.0371(11) Uani 1 1 d . . .
H24 H 0.5255 -0.1746 1.1226 0.044 Uiso 1 1 calc R . .
C25 C 0.5017(2) 0.0079(6) 1.07131(19) 0.0350(10) Uani 1 1 d . . .
H25 H 0.5438 0.0371 1.0804 0.042 Uiso 1 1 calc R . .
C26 C 0.45049(18) 0.0925(5) 1.03239(17) 0.0266(8) Uani 1 1 d . . .
H26 H 0.4581 0.1785 1.0149 0.032 Uiso 1 1 calc R . .
B1 B 0.27908(19) 0.0243(4) 0.89919(16) 0.0177(7) Uani 1 1 d . . .
B2 B 0.1945(2) 0.0084(5) 0.8637(2) 0.0273(9) Uani 1 1 d . . .
H2 H 0.1629 0.0804 0.8756 0.033 Uiso 1 1 calc R . .
B3 B 0.2409(3) -0.1345(5) 0.9105(2) 0.0318(10) Uani 1 1 d . . .
H3 H 0.2408 -0.1591 0.9543 0.038 Uiso 1 1 calc R . .
B4 B 0.3102(2) -0.1537(5) 0.89894(19) 0.0264(9) Uani 1 1 d . . .
H4 H 0.3560 -0.1909 0.9355 0.032 Uiso 1 1 calc R . .
B5 B 0.30743(19) -0.0236(4) 0.84528(16) 0.0186(7) Uani 1 1 d . . .
H5 H 0.3513 0.0273 0.8459 0.022 Uiso 1 1 calc R . .
B6 B 0.23590(18) 0.0775(4) 0.82372(17) 0.0190(7) Uani 1 1 d . . .
H6 H 0.2316 0.1954 0.8096 0.023 Uiso 1 1 calc R . .
B7 B 0.1752(3) -0.1773(6) 0.8429(3) 0.0393(12) Uani 1 1 d . . .
H7 H 0.1313 -0.2291 0.8416 0.047 Uiso 1 1 calc R . .
B8 B 0.2872(2) -0.2098(5) 0.8244(2) 0.0271(9) Uani 1 1 d . . .
H8 H 0.3177 -0.2838 0.8119 0.033 Uiso 1 1 calc R . .
B9 B 0.2412(2) -0.0672(4) 0.77795(18) 0.0214(7) Uani 1 1 d . . .
H9 H 0.2403 -0.0440 0.7337 0.026 Uiso 1 1 calc R . .
B10 B 0.2042(3) -0.2235(5) 0.7899(2) 0.0319(10) Uani 1 1 d . . .
H10 H 0.1791 -0.3054 0.7539 0.038 Uiso 1 1 calc R . .
C1 C 0.2460(3) -0.2636(4) 0.8627(2) 0.0354(10) Uani 1 1 d . . .
H1 H 0.2492 -0.3693 0.8747 0.042 Uiso 1 1 calc R . .
C2 C 0.17781(19) -0.0524(5) 0.79386(18) 0.0288(8) Uani 1 1 d . . .
H2A H 0.1366 -0.0212 0.7611 0.035 Uiso 1 1 calc R . .
Cl2 Cl 0.4981(6) 0.5340(9) 0.3104(5) 0.076(2) Uani 0.50 1 d PU A -1
Cl3 Cl 0.4942(6) 0.5113(8) 0.1793(4) 0.0471(11) Uani 0.50 1 d PU A -1
Pt2 Pt 0.50176(8) 0.34341(4) 0.25210(10) 0.03048(13) Uani 0.50 1 d PDU A -1
C31 C 0.5826(9) 0.086(2) 0.2456(7) 0.029(2) Uani 0.50 1 d PDU A -1
H31A H 0.5851 -0.0018 0.2233 0.035 Uiso 0.50 1 calc PR A -1
H31B H 0.6246 0.1341 0.2625 0.035 Uiso 0.50 1 calc PR A -1
C32 C 0.5337(8) 0.1923(16) 0.2030(6) 0.033(3) Uani 0.50 1 d PDU A -1
H32 H 0.5488 0.2755 0.1900 0.040 Uiso 0.50 1 calc PR A -1
C33 C 0.4678(8) 0.1756(14) 0.1816(6) 0.035(2) Uani 0.50 1 d PDU A -1
H33 H 0.4419 0.2475 0.1544 0.042 Uiso 0.50 1 calc PR A -1
C34 C 0.4360(12) 0.059(2) 0.1972(10) 0.047(4) Uani 0.50 1 d PDU A -1
H34A H 0.4630 -0.0300 0.2077 0.057 Uiso 0.50 1 calc PR A -1
H34B H 0.3960 0.0350 0.1623 0.057 Uiso 0.50 1 calc PR A -1
C35 C 0.4216(12) 0.097(3) 0.2471(10) 0.053(4) Uani 0.50 1 d PDU A -1
H35A H 0.3826 0.1577 0.2319 0.064 Uiso 0.50 1 calc PR A -1
H35B H 0.4126 0.0055 0.2634 0.064 Uiso 0.50 1 calc PR A -1
C36 C 0.4709(9) 0.1763(19) 0.2947(8) 0.041(2) Uani 0.50 1 d PDU A -1
H36 H 0.4570 0.2478 0.3142 0.049 Uiso 0.50 1 calc PR A -1
C37 C 0.5371(9) 0.1614(17) 0.3162(6) 0.037(2) Uani 0.50 1 d PDU A -1
H37 H 0.5639 0.2308 0.3442 0.045 Uiso 0.50 1 calc PR A -1
C38 C 0.5671(11) 0.0373(17) 0.2960(8) 0.028(2) Uani 0.50 1 d PDU A -1
H38A H 0.6063 0.0044 0.3299 0.034 Uiso 0.50 1 calc PR A -1
H38B H 0.5376 -0.0473 0.2828 0.034 Uiso 0.50 1 calc PR A -1
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'
B B 0.0013 0.0007 '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
_geom_angle_site_symmetry_3
Cl1 Pt1 Cl1 179.999(1) 7_557 .
Cl1 Pt1 P1 95.38(3) 7_557 7_557
Cl1 Pt1 P1 84.62(3) . 7_557
Cl1 Pt1 P1 84.61(3) 7_557 .
Cl1 Pt1 P1 95.38(3) . .
P1 Pt1 P1 180.0 7_557 .
C11 P1 C21 102.36(17) . .
C11 P1 B1 112.19(16) . .
C21 P1 B1 104.68(17) . .
C11 P1 Pt1 107.82(11) . .
C21 P1 Pt1 117.84(11) . .
B1 P1 Pt1 111.68(12) . .
C12 C11 C16 118.9(3) . .
C12 C11 P1 124.7(3) . .
C16 C11 P1 116.4(3) . .
C11 C12 C13 120.4(3) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C14 C13 C12 120.2(4) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
C15 C14 C13 120.1(4) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C14 C15 C16 120.3(4) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C15 C16 C11 120.0(4) . .
C15 C16 H16 120.0 . .
C11 C16 H16 120.0 . .
C26 C21 C22 118.9(3) . .
C26 C21 P1 121.5(3) . .
C22 C21 P1 119.6(3) . .
C23 C22 C21 120.1(4) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C24 C23 C22 120.3(4) . .
C24 C23 H23 119.8 . .
C22 C23 H23 119.8 . .
C25 C24 C23 120.2(4) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C24 C25 C26 119.9(4) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C21 C26 C25 120.5(4) . .
C21 C26 H26 119.7 . .
C25 C26 H26 119.7 . .
B4 B1 B6 106.8(3) . .
B4 B1 B3 59.9(3) . .
B6 B1 B3 107.1(3) . .
B4 B1 B2 107.0(3) . .
B6 B1 B2 59.8(2) . .
B3 B1 B2 59.4(3) . .
B4 B1 B5 59.4(2) . .
B6 B1 B5 59.6(2) . .
B3 B1 B5 107.3(3) . .
B2 B1 B5 107.3(3) . .
B4 B1 P1 120.7(3) . .
B6 B1 P1 126.3(2) . .
B3 B1 P1 117.2(2) . .
B2 B1 P1 120.6(2) . .
B5 B1 P1 126.1(3) . .
C2 B2 B7 58.2(3) . .
C2 B2 B3 104.1(3) . .
B7 B2 B3 60.0(3) . .
C2 B2 B6 58.6(2) . .
B7 B2 B6 107.6(3) . .
B3 B2 B6 107.6(3) . .
C2 B2 B1 104.3(3) . .
B7 B2 B1 108.0(4) . .
B3 B2 B1 60.0(3) . .
B6 B2 B1 59.7(2) . .
C2 B2 H2 125.2 . .
B7 B2 H2 121.6 . .
B3 B2 H2 122.6 . .
B6 B2 H2 121.7 . .
B1 B2 H2 122.4 . .
C1 B3 B7 58.4(3) . .
C1 B3 B2 104.3(3) . .
B7 B3 B2 59.8(3) . .
C1 B3 B4 58.3(3) . .
B7 B3 B4 107.4(3) . .
B2 B3 B4 107.8(3) . .
C1 B3 B1 104.5(3) . .
B7 B3 B1 108.3(3) . .
B2 B3 B1 60.6(2) . .
B4 B3 B1 59.8(2) . .
C1 B3 H3 125.2 . .
B7 B3 H3 121.6 . .
B2 B3 H3 122.3 . .
B4 B3 H3 121.9 . .
B1 B3 H3 122.1 . .
C1 B4 B5 104.7(3) . .
C1 B4 B1 105.5(3) . .
B5 B4 B1 60.9(2) . .
C1 B4 B8 58.4(3) . .
B5 B4 B8 60.0(2) . .
B1 B4 B8 109.1(3) . .
C1 B4 B3 59.1(3) . .
B5 B4 B3 108.8(3) . .
B1 B4 B3 60.3(2) . .
B8 B4 B3 108.4(3) . .
C1 B4 H4 124.8 . .
B5 B4 H4 122.0 . .
B1 B4 H4 121.5 . .
B8 B4 H4 121.3 . .
B3 B4 H4 121.0 . .
B4 B5 B9 107.6(3) . .
B4 B5 B8 60.2(2) . .
B9 B5 B8 59.6(2) . .
B4 B5 B6 107.2(3) . .
B9 B5 B6 60.3(2) . .
B8 B5 B6 107.9(3) . .
B4 B5 B1 59.7(2) . .
B9 B5 B1 108.2(3) . .
B8 B5 B1 108.3(3) . .
B6 B5 B1 59.8(2) . .
B4 B5 H5 122.2 . .
B9 B5 H5 121.7 . .
B8 B5 H5 121.6 . .
B6 B5 H5 122.0 . .
B1 B5 H5 121.6 . .
C2 B6 B5 104.1(3) . .
C2 B6 B1 104.8(3) . .
B5 B6 B1 60.6(2) . .
C2 B6 B2 58.5(2) . .
B5 B6 B2 108.6(3) . .
B1 B6 B2 60.4(2) . .
C2 B6 B9 58.3(2) . .
B5 B6 B9 59.7(2) . .
B1 B6 B9 108.4(3) . .
B2 B6 B9 107.9(3) . .
C2 B6 H6 125.3 . .
B5 B6 H6 122.3 . .
B1 B6 H6 121.8 . .
B2 B6 H6 121.2 . .
B9 B6 H6 121.7 . .
C2 B7 C1 100.6(3) . .
C2 B7 B2 59.2(3) . .
C1 B7 B2 105.2(3) . .
C2 B7 B3 104.9(3) . .
C1 B7 B3 59.3(3) . .
B2 B7 B3 60.2(3) . .
C2 B7 B10 58.2(3) . .
C1 B7 B10 58.1(3) . .
B2 B7 B10 108.3(3) . .
B3 B7 B10 108.1(4) . .
C2 B7 H7 125.7 . .
C1 B7 H7 125.6 . .
B2 B7 H7 121.6 . .
B3 B7 H7 121.7 . .
B10 B7 H7 121.5 . .
C1 B8 B10 58.6(3) . .
C1 B8 B9 104.4(3) . .
B10 B8 B9 59.8(3) . .
C1 B8 B5 104.7(3) . .
B10 B8 B5 108.0(3) . .
B9 B8 B5 60.1(2) . .
C1 B8 B4 58.6(3) . .
B10 B8 B4 107.7(3) . .
B9 B8 B4 107.6(3) . .
B5 B8 B4 59.8(2) . .
C1 B8 H8 124.9 . .
B10 B8 H8 121.6 . .
B9 B8 H8 122.6 . .
B5 B8 H8 122.3 . .
B4 B8 H8 121.8 . .
C2 B9 B10 58.5(3) . .
C2 B9 B8 104.5(3) . .
B10 B9 B8 59.9(3) . .
C2 B9 B5 104.7(3) . .
B10 B9 B5 108.2(3) . .
B8 B9 B5 60.2(2) . .
C2 B9 B6 58.7(2) . .
B10 B9 B6 108.0(3) . .
B8 B9 B6 108.1(3) . .
B5 B9 B6 60.0(2) . .
C2 B9 H9 125.0 . .
B10 B9 H9 121.5 . .
B8 B9 H9 122.4 . .
B5 B9 H9 122.2 . .
B6 B9 H9 121.4 . .
C2 B10 C1 101.0(3) . .
C2 B10 B9 59.1(3) . .
C1 B10 B9 105.0(3) . .
C2 B10 B8 105.1(3) . .
C1 B10 B8 59.0(3) . .
B9 B10 B8 60.2(3) . .
C2 B10 B7 58.2(3) . .
C1 B10 B7 58.7(3) . .
B9 B10 B7 108.2(3) . .
B8 B10 B7 108.3(3) . .
C2 B10 H10 125.5 . .
C1 B10 H10 125.5 . .
B9 B10 H10 121.8 . .
B8 B10 H10 121.7 . .
B7 B10 H10 121.3 . .
B10 C1 B8 62.4(3) . .
B10 C1 B7 63.3(3) . .
B8 C1 B7 115.0(4) . .
B10 C1 B4 114.4(3) . .
B8 C1 B4 63.0(3) . .
B7 C1 B4 114.1(3) . .
B10 C1 B3 114.9(4) . .
B8 C1 B3 115.1(3) . .
B7 C1 B3 62.3(3) . .
B4 C1 B3 62.6(3) . .
B10 C1 H1 117.6 . .
B8 C1 H1 117.4 . .
B7 C1 H1 117.8 . .
B4 C1 H1 118.0 . .
B3 C1 H1 117.7 . .
B7 C2 B10 63.5(3) . .
B7 C2 B9 115.2(4) . .
B10 C2 B9 62.3(3) . .
B7 C2 B2 62.6(3) . .
B10 C2 B2 115.4(4) . .
B9 C2 B2 115.4(3) . .
B7 C2 B6 114.7(3) . .
B10 C2 B6 114.7(3) . .
B9 C2 B6 63.0(2) . .
B2 C2 B6 62.8(2) . .
B7 C2 H2A 117.4 . .
B10 C2 H2A 117.4 . .
B9 C2 H2A 117.5 . .
B2 C2 H2A 117.3 . .
B6 C2 H2A 117.8 . .
C36 Pt2 C32 96.1(3) . .
C36 Pt2 C37 37.8(3) . .
C32 Pt2 C37 79.9(6) . .
C36 Pt2 C33 80.0(8) . .
C32 Pt2 C33 37.4(3) . .
C37 Pt2 C33 87.4(3) . .
C36 Pt2 Cl2 96.0(6) . .
C32 Pt2 Cl2 162.2(6) . .
C37 Pt2 Cl2 102.1(6) . .
C33 Pt2 Cl2 158.9(5) . .
C36 Pt2 Cl3 157.5(6) . .
C32 Pt2 Cl3 84.2(5) . .
C37 Pt2 Cl3 160.4(6) . .
C33 Pt2 Cl3 87.0(5) . .
Cl2 Pt2 Cl3 89.55(17) . .
C38 C31 C32 112.8(8) . .
C38 C31 H31A 109.0 . .
C32 C31 H31A 109.0 . .
C38 C31 H31B 109.0 . .
C32 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
C33 C32 C31 124.5(14) . .
C33 C32 Pt2 72.2(6) . .
C31 C32 Pt2 110.0(8) . .
C33 C32 H32 117.8 . .
C31 C32 H32 117.8 . .
Pt2 C32 H32 87.8 . .
C32 C33 C34 125.9(14) . .
C32 C33 Pt2 70.4(6) . .
C34 C33 Pt2 110.0(9) . .
C32 C33 H33 117.0 . .
C34 C33 H33 117.0 . .
Pt2 C33 H33 89.7 . .
C33 C34 C35 113.1(11) . .
C33 C34 H34A 109.0 . .
C35 C34 H34A 109.0 . .
C33 C34 H34B 109.0 . .
C35 C34 H34B 109.0 . .
H34A C34 H34B 107.8 . .
C36 C35 C34 115.1(10) . .
C36 C35 H35A 108.5 . .
C34 C35 H35A 108.5 . .
C36 C35 H35B 108.5 . .
C34 C35 H35B 108.5 . .
H35A C35 H35B 107.5 . .
C37 C36 C35 128.5(17) . .
C37 C36 Pt2 73.0(6) . .
C35 C36 Pt2 105.2(11) . .
C37 C36 H36 115.8 . .
C35 C36 H36 115.8 . .
Pt2 C36 H36 92.0 . .
C36 C37 C38 122.2(16) . .
C36 C37 Pt2 69.2(6) . .
C38 C37 Pt2 113.3(7) . .
C36 C37 H37 118.9 . .
C38 C37 H37 118.9 . .
Pt2 C37 H37 87.6 . .
C31 C38 C37 111.6(8) . .
C31 C38 H38A 109.3 . .
C37 C38 H38A 109.3 . .
C31 C38 H38B 109.3 . .
C37 C38 H38B 109.3 . .
H38A C38 H38B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 Pt1 2.3039(8) .
Pt1 Cl1 2.3039(8) 7_557
Pt1 P1 2.3172(9) 7_557
Pt1 P1 2.3173(9) .
P1 C11 1.820(4) .
P1 C21 1.834(4) .
P1 B1 1.954(4) .
C11 C12 1.386(5) .
C11 C16 1.400(5) .
C12 C13 1.390(5) .
C12 H12 0.9500 .
C13 C14 1.377(6) .
C13 H13 0.9500 .
C14 C15 1.373(6) .
C14 H14 0.9500 .
C15 C16 1.392(6) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C21 C26 1.391(6) .
C21 C22 1.401(5) .
C22 C23 1.393(5) .
C22 H22 0.9500 .
C23 C24 1.384(7) .
C23 H23 0.9500 .
C24 C25 1.375(7) .
C24 H24 0.9500 .
C25 C26 1.403(5) .
C25 H25 0.9500 .
C26 H26 0.9500 .
B1 B4 1.776(6) .
B1 B6 1.781(5) .
B1 B3 1.785(6) .
B1 B2 1.794(6) .
B1 B5 1.797(5) .
B2 C2 1.709(6) .
B2 B7 1.767(7) .
B2 B3 1.773(7) .
B2 B6 1.783(6) .
B2 H2 1.1200 .
B3 C1 1.719(6) .
B3 B7 1.770(8) .
B3 B4 1.778(7) .
B3 H3 1.1200 .
B4 C1 1.704(7) .
B4 B5 1.770(6) .
B4 B8 1.778(6) .
B4 H4 1.1200 .
B5 B9 1.773(6) .
B5 B8 1.774(6) .
B5 B6 1.778(6) .
B5 H5 1.1200 .
B6 C2 1.711(6) .
B6 B9 1.784(6) .
B6 H6 1.1200 .
B7 C2 1.691(7) .
B7 C1 1.704(9) .
B7 B10 1.781(7) .
B7 H7 1.1200 .
B8 C1 1.700(7) .
B8 B10 1.759(7) .
B8 B9 1.764(6) .
B8 H8 1.1200 .
B9 C2 1.702(6) .
B9 B10 1.757(6) .
B9 H9 1.1200 .
B10 C2 1.692(7) .
B10 C1 1.693(7) .
B10 H10 1.1200 .
C1 H1 1.0001 .
C2 H2A 1.0001 .
Cl2 Pt2 2.291(8) .
Cl3 Pt2 2.325(10) .
Pt2 C36 2.153(11) .
Pt2 C32 2.181(10) .
Pt2 C37 2.203(10) .
Pt2 C33 2.205(10) .
C31 C38 1.52(2) .
C31 C32 1.526(14) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.407(9) .
C32 H32 0.9500 .
C33 C34 1.44(2) .
C33 H33 0.9500 .
C34 C35 1.47(3) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.44(2) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.411(9) .
C36 H36 0.9500 .
C37 C38 1.526(15) .
C37 H37 0.9500 .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
