#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179984 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/78/7027840.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027840
loop_
_publ_author_name
'Clegg, William'
'Johann, Thorsten R. F.'
'Marder, Todd B.'
'Norman, Nicholas C.'
'Orpen, A. Guy'
'Peakman, Torren M.'
'Quayle, Michael J.'
'Rice, Craig R.'
'Scott, Andrew J.'
_publ_section_title
;
 Platinum-catalysed 1,4-diboration of 1,3-dienes
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1431
_journal_paper_doi               10.1039/a800108a
_journal_year                    1998
_chemical_formula_structural     'Pt (P Ph3) 2 (B O2 C2 H3 Ph)2 (C H2 Cl2)2.0'
_chemical_formula_sum            'C54 H50 B2 Cl4 O4 P2 Pt'
_chemical_formula_weight         1183.39
_chemical_name_systematic
; 
 bistriphenylphosphine-{bis(phenylethane-1,2-diol)boryl} platinum 
dichloromethane solvate 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 94.530(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.311(3)
_cell_length_b                   12.1983(13)
_cell_length_c                   11.1210(7)
_cell_measurement_reflns_used    454
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      50
_cell_measurement_theta_min      5
_cell_volume                     5180.9(8)
_computing_cell_refinement       'SAINT (Siemens, 1995b)'
_computing_data_collection       'SMART (Siemens, 1995b)'
_computing_data_reduction        'SAINT (Siemens, 1995b)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1995a)'
_computing_publication_material  'SHELXTL (Siemens, 1995a)'
_computing_structure_refinement  'SHELXTL (Siemens, 1995a)'
_computing_structure_solution    'SHELXTL (Siemens, 1995a)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens SMART Area Detector'
_diffrn_measurement_method       'ω rotation 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  0.0148
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16962
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    3.021
_exptl_absorpt_correction_T_max  0.547
_exptl_absorpt_correction_T_min  0.457
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.021(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.966
_refine_ls_goodness_of_fit_obs   1.004
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         11487
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.972
_refine_ls_restrained_S_obs      1.010
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_obs          0.0219
_refine_ls_shift/esd_max         -0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0223P)²+0.0000P] where P=(Max(Fo²,0)+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0487
_refine_ls_wR_factor_obs         0.0481
_reflns_number_observed          10455
_reflns_number_total             11487
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            a800108sup1.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0223P)^2^+0.0000P] where
P=(Max(Fo^2^,0)+2Fc^2^)/3' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=1/[\s^2^(Fo^2^)+(0.0223P)^2^+0.0000P] where
P=(Max(Fo^2^,0)+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               7027840
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.635260(3) -0.002020(11) 0.677155(9) 0.02596(3) Uani 1 d . .
P1 P 0.68187(2) 0.05051(7) 0.81454(8) 0.0280(2) Uani 1 d . .
P2 P 0.63504(2) -0.19390(7) 0.69644(8) 0.0246(2) Uani 1 d . .
B1 B 0.59637(9) -0.0075(5) 0.5371(3) 0.0305(7) Uani 1 d . .
B2 B 0.63024(12) 0.1575(3) 0.6192(4) 0.0371(10) Uani 1 d . .
O1 O 0.56119(5) 0.0147(3) 0.5476(2) 0.0369(7) Uani 1 d . .
O2 O 0.60192(6) -0.0352(2) 0.4196(2) 0.0353(6) Uani 1 d . .
O3 O 0.60574(8) 0.2331(2) 0.6497(3) 0.0505(8) Uani 1 d . .
O4 O 0.65328(8) 0.2048(2) 0.5459(3) 0.0490(8) Uani 1 d . .
C1 C 0.69435(9) 0.1958(3) 0.8139(3) 0.0294(7) Uani 1 d . .
C2 C 0.67200(13) 0.2710(3) 0.8596(4) 0.0396(11) Uani 1 d . .
H2 H 0.65061(13) 0.2474(3) 0.8889(4) 0.048 Uiso 1 calc R .
C3 C 0.68113(11) 0.3838(3) 0.8625(4) 0.0452(10) Uani 1 d . .
H3 H 0.66603(11) 0.4356(3) 0.8955(4) 0.054 Uiso 1 calc R .
C4 C 0.71140(11) 0.4180(3) 0.8182(4) 0.0456(10) Uani 1 d . .
H4 H 0.71742(11) 0.4936(3) 0.8206(4) 0.055 Uiso 1 calc R .
C5 C 0.73315(11) 0.3437(3) 0.7704(4) 0.0457(10) Uani 1 d . .
H5 H 0.75418(11) 0.3679(3) 0.7390(4) 0.055 Uiso 1 calc R .
C6 C 0.72458(10) 0.2327(3) 0.7677(3) 0.0376(9) Uani 1 d . .
H6 H 0.73975(10) 0.1818(3) 0.7335(3) 0.045 Uiso 1 calc R .
C7 C 0.67924(9) 0.0307(2) 0.9767(3) 0.0282(8) Uani 1 d . .
C8 C 0.70254(10) 0.0798(3) 1.0627(3) 0.0366(9) Uani 1 d . .
H8 H 0.72080(10) 0.1247(3) 1.0372(3) 0.044 Uiso 1 calc R .
C9 C 0.69960(11) 0.0644(3) 1.1844(3) 0.0409(9) Uani 1 d . .
H9 H 0.71595(11) 0.0980(3) 1.2416(3) 0.049 Uiso 1 calc R .
C10 C 0.67352(9) 0.0014(5) 1.2228(3) 0.0433(8) Uani 1 d . .
H10 H 0.67141(9) -0.0078(5) 1.3067(3) 0.052 Uiso 1 calc R .
C11 C 0.64989(11) -0.0496(3) 1.1400(4) 0.0447(10) Uani 1 d . .
H11 H 0.63206(11) -0.0955(3) 1.1670(4) 0.054 Uiso 1 calc R .
C12 C 0.65243(10) -0.0334(2) 1.0175(3) 0.0360(9) Uani 1 d . .
H12 H 0.63572(10) -0.0662(2) 0.9609(3) 0.043 Uiso 1 calc R .
C13 C 0.72161(8) -0.0206(3) 0.7765(3) 0.0278(9) Uani 1 d . .
C14 C 0.74923(9) -0.0506(3) 0.8583(3) 0.0357(8) Uani 1 d . .
H14 H 0.74920(9) -0.0286(3) 0.9402(3) 0.043 Uiso 1 calc R .
C15 C 0.77662(10) -0.1120(3) 0.8219(4) 0.0440(10) Uani 1 d . .
H15 H 0.79547(10) -0.1310(3) 0.8787(4) 0.053 Uiso 1 calc R .
C16 C 0.77705(10) -0.1465(3) 0.7033(4) 0.0435(10) Uani 1 d . .
H16 H 0.79574(10) -0.1906(3) 0.6793(4) 0.052 Uiso 1 calc R .
C17 C 0.75003(10) -0.1161(3) 0.6202(4) 0.0399(9) Uani 1 d . .
H17 H 0.75027(10) -0.1384(3) 0.5384(4) 0.048 Uiso 1 calc R .
C18 C 0.72283(9) -0.0538(3) 0.6559(3) 0.0328(8) Uani 1 d . .
H18 H 0.70450(9) -0.0327(3) 0.5980(3) 0.039 Uiso 1 calc R .
C19 C 0.65142(10) -0.2584(3) 0.8387(3) 0.0274(7) Uani 1 d . .
C20 C 0.68724(11) -0.2588(3) 0.8723(4) 0.0320(9) Uani 1 d . .
H20 H 0.70301(11) -0.2312(3) 0.8179(4) 0.038 Uiso 1 calc R .
C21 C 0.70024(11) -0.2983(3) 0.9830(3) 0.0433(10) Uani 1 d . .
H21 H 0.72473(11) -0.2974(3) 1.0045(3) 0.052 Uiso 1 calc R .
C22 C 0.67766(14) -0.3392(4) 1.0623(4) 0.0570(13) Uani 1 d . .
H22 H 0.68654(14) -0.3679(4) 1.1380(4) 0.068 Uiso 1 calc R .
C23 C 0.64271(13) -0.3383(4) 1.0319(4) 0.0580(12) Uani 1 d . .
H23 H 0.62718(13) -0.3648(4) 1.0877(4) 0.070 Uiso 1 calc R .
C24 C 0.62920(11) -0.2990(3) 0.9202(4) 0.0462(10) Uani 1 d . .
H24 H 0.60465(11) -0.3002(3) 0.8999(4) 0.055 Uiso 1 calc R .
C25 C 0.66031(9) -0.2638(3) 0.5864(3) 0.0255(7) Uani 1 d . .
C26 C 0.67697(9) -0.3646(3) 0.6110(3) 0.0298(7) Uani 1 d . .
H26 H 0.67521(9) -0.3987(3) 0.6871(3) 0.036 Uiso 1 calc R .
C27 C 0.69579(10) -0.4146(3) 0.5264(3) 0.0368(9) Uani 1 d . .
H27 H 0.70742(10) -0.4820(3) 0.5448(3) 0.044 Uiso 1 calc R .
C28 C 0.69786(10) -0.3671(3) 0.4143(3) 0.0395(9) Uani 1 d . .
H28 H 0.71069(10) -0.4021(3) 0.3555(3) 0.047 Uiso 1 calc R .
C29 C 0.68137(11) -0.2691(3) 0.3881(3) 0.0410(9) Uani 1 d . .
H29 H 0.68268(11) -0.2366(3) 0.3110(3) 0.049 Uiso 1 calc R .
C30 C 0.66273(10) -0.2174(3) 0.4744(3) 0.0319(8) Uani 1 d . .
H30 H 0.65154(10) -0.1493(3) 0.4559(3) 0.038 Uiso 1 calc R .
C31 C 0.59130(10) -0.2552(3) 0.6716(4) 0.0310(9) Uani 1 d . .
C32 C 0.58598(11) -0.3585(3) 0.6204(4) 0.0488(11) Uani 1 d . .
H32 H 0.60515(11) -0.3987(3) 0.5937(4) 0.059 Uiso 1 calc R .
C33 C 0.55269(12) -0.4018(4) 0.6085(5) 0.068(2) Uani 1 d . .
H33 H 0.54891(12) -0.4710(4) 0.5705(5) 0.082 Uiso 1 calc R .
C34 C 0.52492(11) -0.3469(4) 0.6506(5) 0.0588(13) Uani 1 d . .
H34 H 0.50234(11) -0.3796(4) 0.6449(5) 0.071 Uiso 1 calc R .
C35 C 0.52964(10) -0.2459(3) 0.7004(4) 0.0458(10) Uani 1 d . .
H35 H 0.51030(10) -0.2069(3) 0.7277(4) 0.055 Uiso 1 calc R .
C36 C 0.56316(9) -0.1995(3) 0.7114(3) 0.0366(8) Uani 1 d . .
H36 H 0.56651(9) -0.1290(3) 0.7465(3) 0.044 Uiso 1 calc R .
C37 C 0.54183(9) -0.0164(6) 0.4373(3) 0.0482(12) Uani 1 d . .
H37A H 0.52409(9) 0.0399(6) 0.4124(3) 0.058 Uiso 1 calc R .
H37B H 0.52986(9) -0.0874(6) 0.4467(3) 0.058 Uiso 1 calc R .
C38 C 0.56925(8) -0.0256(3) 0.3447(3) 0.0391(11) Uani 1 d . .
H38 H 0.56944(8) 0.0435(3) 0.2964(3) 0.047 Uiso 1 calc R .
C39 C 0.56374(9) -0.1215(4) 0.2617(3) 0.0420(10) Uani 1 d . .
C40 C 0.56722(11) -0.2269(4) 0.3048(5) 0.0566(12) Uani 1 d . .
H40 H 0.57466(11) -0.2379(4) 0.3875(5) 0.068 Uiso 1 calc R .
C41 C 0.56037(13) -0.3162(5) 0.2330(6) 0.081(2) Uani 1 d . .
H41 H 0.56291(13) -0.3882(5) 0.2651(6) 0.097 Uiso 1 calc R .
C42 C 0.54949(14) -0.2997(7) 0.1110(7) 0.097(2) Uani 1 d . .
H42 H 0.54414(14) -0.3609(7) 0.0600(7) 0.117 Uiso 1 calc R .
C43 C 0.54659(13) -0.1965(7) 0.0657(5) 0.088(2) Uani 1 d . .
H43 H 0.53984(13) -0.1856(7) -0.0174(5) 0.106 Uiso 1 calc R .
C44 C 0.55346(10) -0.1064(5) 0.1407(4) 0.0577(12) Uani 1 d . .
H44 H 0.55110(10) -0.0343(5) 0.1087(4) 0.069 Uiso 1 calc R .
C45 C 0.61339(14) 0.3379(3) 0.5995(5) 0.0607(13) Uani 1 d . .
H45A H 0.62165(14) 0.3901(3) 0.6637(5) 0.073 Uiso 1 calc R .
H45B H 0.59238(14) 0.3689(3) 0.5541(5) 0.073 Uiso 1 calc R .
C46 C 0.64195(12) 0.3152(3) 0.5159(5) 0.0572(12) Uani 1 d . .
H46 H 0.66187(12) 0.3668(3) 0.5356(5) 0.069 Uiso 1 calc R .
C47 C 0.63099(12) 0.3229(3) 0.3843(5) 0.0589(13) Uani 1 d . .
C48 C 0.62860(15) 0.2325(4) 0.3130(5) 0.073(2) Uani 1 d . .
H48 H 0.63401(15) 0.1626(4) 0.3471(5) 0.088 Uiso 1 calc R .
C49 C 0.6183(2) 0.2410(6) 0.1899(5) 0.115(3) Uani 1 d . .
H49 H 0.6166(2) 0.1774(6) 0.1406(5) 0.138 Uiso 1 calc R .
C50 C 0.6107(2) 0.3428(7) 0.1413(6) 0.135(4) Uani 1 d . .
H50 H 0.6042(2) 0.3499(7) 0.0574(6) 0.162 Uiso 1 calc R .
C51 C 0.6124(2) 0.4303(6) 0.2110(8) 0.144(4) Uani 1 d . .
H51 H 0.6052(2) 0.4993(6) 0.1779(8) 0.172 Uiso 1 calc R .
C52 C 0.6243(2) 0.4235(4) 0.3319(7) 0.104(2) Uani 1 d . .
H52 H 0.6280(2) 0.4884(4) 0.3784(7) 0.125 Uiso 1 calc R .
C96 C 0.55122(13) 0.1347(5) -0.1974(4) 0.086(2) Uani 0.273(11) d PD 1
H96A H 0.54100(13) 0.1967(5) -0.2456(4) 0.103 Uiso 0.273(11) calc PR 1
H96B H 0.56891(13) 0.0982(5) -0.2439(4) 0.103 Uiso 0.273(11) calc PR 1
Cl1 Cl 0.5709(3) 0.1826(9) -0.0560(8) 0.112(4) Uani 0.273(11) d PD 1
Cl2 Cl 0.5189(2) 0.0430(5) -0.1656(8) 0.055(2) Uani 0.273(11) d PD 1
C96' C 0.55122(13) 0.1347(5) -0.1974(4) 0.086(2) Uani 0.727(11) d PD 2
H96C H 0.55916(9) 0.0903(7) -0.2646(5) 0.103 Uiso 0.727(11) calc PR 2
H96D H 0.55014(9) 0.2121(7) -0.2242(5) 0.103 Uiso 0.727(11) calc PR 2
Cl1' Cl 0.58033(9) 0.1242(7) -0.0815(5) 0.147(3) Uani 0.727(11) d PD 2
Cl2' Cl 0.5097(2) 0.0929(9) -0.1691(4) 0.157(3) Uani 0.727(11) d PD 2
C91 C 0.5000 -0.6465(14) 0.0000 0.260(11) Uani 1 d S .
Cl8 Cl 0.4806(7) -0.5673(13) 0.1099(15) 0.476(13) Uani 0.50 d P .
Cl9 Cl 0.5226(2) -0.5597(5) -0.0979(4) 0.130(2) Uani 0.50 d P .
C98 C 0.5000 -0.7443(14) -0.5000 0.324(20) Uani 1 d S .
Cl6 Cl 0.4701(3) -0.6860(12) -0.3808(13) 0.260(7) Uani 0.50 d P .
Cl7 Cl 0.5088(3) -0.6687(7) -0.5915(10) 0.200(4) Uani 0.50 d P .
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'
O O 0.0106 0.0060 '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'
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
B2 Pt1 B1 75.5(2) . .
B2 Pt1 P1 89.63(12) . .
B1 Pt1 P1 164.7(2) . .
B2 Pt1 P2 166.16(13) . .
B1 Pt1 P2 91.7(2) . .
P1 Pt1 P2 102.75(3) . .
C7 P1 C13 106.04(15) . .
C7 P1 C1 99.56(15) . .
C13 P1 C1 103.6(2) . .
C7 P1 Pt1 120.49(11) . .
C13 P1 Pt1 108.93(11) . .
C1 P1 Pt1 116.51(11) . .
C25 P2 C19 102.3(2) . .
C25 P2 C31 103.6(2) . .
C19 P2 C31 101.6(2) . .
C25 P2 Pt1 113.41(12) . .
C19 P2 Pt1 120.18(11) . .
C31 P2 Pt1 113.70(12) . .
O2 B1 O1 110.5(3) . .
O2 B1 Pt1 124.3(2) . .
O1 B1 Pt1 125.2(2) . .
O4 B2 O3 110.2(3) . .
O4 B2 Pt1 122.4(3) . .
O3 B2 Pt1 127.3(3) . .
B1 O1 C37 108.5(3) . .
B1 O2 C38 109.4(2) . .
B2 O3 C45 109.7(4) . .
B2 O4 C46 109.4(3) . .
C2 C1 C6 118.9(3) . .
C2 C1 P1 118.1(3) . .
C6 C1 P1 122.9(3) . .
C1 C2 C3 119.6(4) . .
C4 C3 C2 120.3(4) . .
C3 C4 C5 120.0(3) . .
C4 C5 C6 120.2(4) . .
C1 C6 C5 120.8(4) . .
C8 C7 C12 117.8(3) . .
C8 C7 P1 122.6(3) . .
C12 C7 P1 119.6(3) . .
C9 C8 C7 121.2(4) . .
C10 C9 C8 120.3(3) . .
C9 C10 C11 120.3(3) . .
C10 C11 C12 119.7(4) . .
C11 C12 C7 120.7(3) . .
C14 C13 C18 117.9(3) . .
C14 C13 P1 125.3(3) . .
C18 C13 P1 116.6(2) . .
C15 C14 C13 120.6(3) . .
C14 C15 C16 120.8(4) . .
C17 C16 C15 119.4(4) . .
C18 C17 C16 120.0(4) . .
C17 C18 C13 121.2(3) . .
C24 C19 C20 117.8(4) . .
C24 C19 P2 122.2(3) . .
C20 C19 P2 119.7(3) . .
C21 C20 C19 121.3(4) . .
C22 C21 C20 119.9(4) . .
C23 C22 C21 119.7(4) . .
C22 C23 C24 121.1(4) . .
C19 C24 C23 120.2(4) . .
C30 C25 C26 118.3(3) . .
C30 C25 P2 119.3(3) . .
C26 C25 P2 122.4(3) . .
C27 C26 C25 120.8(3) . .
C26 C27 C28 120.1(3) . .
C29 C28 C27 119.9(3) . .
C28 C29 C30 120.0(3) . .
C25 C30 C29 120.8(3) . .
C36 C31 C32 119.0(4) . .
C36 C31 P2 118.7(3) . .
C32 C31 P2 122.2(3) . .
C33 C32 C31 119.4(4) . .
C34 C33 C32 121.2(4) . .
C35 C34 C33 120.1(4) . .
C34 C35 C36 119.6(4) . .
C31 C36 C35 120.6(4) . .
O1 C37 C38 105.0(3) . .
O2 C38 C39 111.3(3) . .
O2 C38 C37 103.1(3) . .
C39 C38 C37 113.7(4) . .
C40 C39 C44 118.4(4) . .
C40 C39 C38 120.8(4) . .
C44 C39 C38 120.8(4) . .
C41 C40 C39 122.3(5) . .
C40 C41 C42 118.7(6) . .
C43 C42 C41 120.1(6) . .
C42 C43 C44 120.3(6) . .
C39 C44 C43 120.2(5) . .
O3 C45 C46 104.8(3) . .
O4 C46 C47 109.9(4) . .
O4 C46 C45 104.3(3) . .
C47 C46 C45 115.4(4) . .
C48 C47 C52 118.4(5) . .
C48 C47 C46 121.5(4) . .
C52 C47 C46 120.0(5) . .
C47 C48 C49 120.9(5) . .
C50 C49 C48 119.1(7) . .
C51 C50 C49 120.0(7) . .
C50 C51 C52 121.2(6) . .
C47 C52 C51 120.0(6) . .
Cl2 C96 Cl1 106.9(5) . .
Cl1' C96' Cl2' 114.4(4) . .
Cl8 C91 Cl8 113.7(15) . 2_655
Cl8 C91 Cl9 110.3(10) . .
Cl8 C91 Cl9 6.3(8) 2_655 .
Cl8 C91 Cl9 6.3(8) . 2_655
Cl8 C91 Cl9 110.3(10) 2_655 2_655
Cl9 C91 Cl9 107.5(10) . 2_655
Cl9 Cl8 C91 93.5(63) 2_655 .
Cl8 Cl9 C91 80.2(66) 2_655 .
Cl7 C98 Cl7 99.9(14) . 2_654
Cl7 C98 Cl6 115.6(12) . .
Cl7 C98 Cl6 25.9(4) 2_654 .
Cl7 C98 Cl6 25.9(4) . 2_654
Cl7 C98 Cl6 115.6(12) 2_654 2_654
Cl6 C98 Cl6 137.3(13) . 2_654
Cl7 Cl6 C98 43.3(12) 2_654 .
Cl6 Cl7 C98 110.8(15) 2_654 .
Cl6 Cl7 Cl7 131.2(17) 2_654 2_654
C98 Cl7 Cl7 40.0(7) . 2_654
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 B2 2.054(4) .
Pt1 B1 2.070(3) .
Pt1 P1 2.3456(9) .
Pt1 P2 2.3505(9) .
P1 C7 1.830(3) .
P1 C13 1.831(3) .
P1 C1 1.835(3) .
P2 C25 1.830(3) .
P2 C19 1.833(4) .
P2 C31 1.836(4) .
B1 O2 1.383(4) .
B1 O1 1.389(4) .
B2 O4 1.375(6) .
B2 O3 1.378(5) .
O1 C37 1.433(4) .
O2 C38 1.452(4) .
O3 C45 1.434(5) .
O4 C46 1.445(5) .
C1 C2 1.379(5) .
C1 C6 1.380(5) .
C2 C3 1.420(6) .
C3 C4 1.361(6) .
C4 C5 1.367(6) .
C5 C6 1.394(5) .
C7 C8 1.391(5) .
C7 C12 1.395(4) .
C8 C9 1.380(5) .
C9 C10 1.356(6) .
C10 C11 1.387(6) .
C11 C12 1.387(5) .
C13 C14 1.389(4) .
C13 C18 1.405(5) .
C14 C15 1.376(5) .
C15 C16 1.385(6) .
C16 C17 1.383(5) .
C17 C18 1.374(5) .
C19 C24 1.383(5) .
C19 C20 1.394(5) .
C20 C21 1.378(5) .
C21 C22 1.377(6) .
C22 C23 1.355(6) .
C23 C24 1.393(5) .
C25 C30 1.378(5) .
C25 C26 1.402(5) .
C26 C27 1.373(5) .
C27 C28 1.383(5) .
C28 C29 1.372(5) .
C29 C30 1.392(5) .
C31 C36 1.376(5) .
C31 C32 1.391(5) .
C32 C33 1.377(6) .
C33 C34 1.371(6) .
C34 C35 1.357(6) .
C35 C36 1.400(5) .
C37 C38 1.532(5) .
C38 C39 1.495(5) .
C39 C40 1.375(6) .
C39 C44 1.385(5) .
C40 C41 1.364(7) .
C41 C42 1.402(9) .
C42 C43 1.358(9) .
C43 C44 1.391(7) .
C45 C46 1.516(7) .
C46 C47 1.494(7) .
C47 C48 1.357(7) .
C47 C52 1.374(6) .
C48 C49 1.398(7) .
C49 C50 1.377(9) .
C50 C51 1.318(11) .
C51 C52 1.389(10) .
C96 Cl2 1.725(8) .
C96 Cl1 1.788(7) .
C96' Cl1' 1.642(6) .
C96' Cl2' 1.722(6) .
C91 Cl8 1.77(2) .
C91 Cl8 1.77(2) 2_655
C91 Cl9 1.790(12) .
C91 Cl9 1.790(12) 2_655
Cl8 Cl9 0.20(2) 2_655
Cl9 Cl8 0.20(2) 2_655
C98 Cl7 1.432(13) .
C98 Cl7 1.432(13) 2_654
C98 Cl6 1.95(2) .
C98 Cl6 1.95(2) 2_654
Cl6 Cl7 0.912(13) 2_654
Cl7 Cl6 0.912(13) 2_654
Cl7 Cl7 2.19(2) 2_654
