#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:08:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179314 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/11/4321165.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_4321165
loop_
_publ_author_name
'Kent D. Redwine'
'William L. Wilson'
'Donald G. Moses'
'Vincent J. Catalano'
'John H. Nelson'
_publ_section_title
;
 Cooperative Diastereoselectivity of Palladium- and Platinum-Promoted
 Intramolecular [4+2] Diels-Alder Cycloaddition Reactions of
 3,4-Dimethyl-1-phenylphosphole
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3392
_journal_page_last               3402
_journal_paper_doi               10.1021/ic990885j
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C55 H58 B2 F8 O P4 Pt'
_chemical_formula_weight         1227.60
_chemical_name_common            3b
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.374(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1466(14)
_cell_length_b                   23.168(2)
_cell_length_c                   23.346(2)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      11.50
_cell_measurement_theta_min      2.37
_cell_volume                     5486.5(10)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω 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  0.0658
_diffrn_reflns_av_sigmaI/netI    0.1799
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            12024
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.76
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.739
_exptl_absorpt_correction_T_max  0.9750
_exptl_absorpt_correction_T_min  0.7918
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_description       plate
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          .08
_exptl_crystal_size_mid          .44
_exptl_crystal_size_min          .24
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.005
_refine_ls_goodness_of_fit_obs   1.143
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         8125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_restrained_S_obs      1.143
_refine_ls_R_factor_all          0.1734
_refine_ls_R_factor_obs          0.0739
_refine_ls_shift/esd_max         0.014
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0433P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1481
_refine_ls_wR_factor_obs         0.1136
_reflns_number_observed          4928
_reflns_number_total             9644
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic990885j_5.cif
_cod_data_source_block           jhn181a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+0.0000P] where P=(Fo^2^+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^)+(0.0433P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5486.5(9)
_cod_database_code               4321165
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.76531(5) 0.23908(2) 0.89184(2) 0.03551(15) Uani 1 d . .
P1 P 0.7791(3) 0.21925(13) 0.79511(13) 0.0380(8) Uani 1 d . .
P2 P 0.7948(3) 0.13908(13) 0.89844(14) 0.0394(9) Uani 1 d . .
P3 P 0.7425(3) 0.33811(13) 0.88150(13) 0.0409(9) Uani 1 d . .
P4 P 0.7627(3) 0.26331(15) 0.98840(12) 0.0418(8) Uani 1 d . .
C1 C 0.7605(12) 0.1412(5) 0.7813(5) 0.048(3) Uani 1 d . .
H1A H 0.6712(12) 0.1255(5) 0.7843(5) 0.057 Uiso 1 calc R .
C2 C 0.8634(13) 0.1215(5) 0.8288(5) 0.046(3) Uani 1 d . .
H2A H 0.8836(13) 0.0802(5) 0.8257(5) 0.055 Uiso 1 calc R .
C3 C 0.9886(12) 0.1599(5) 0.8182(5) 0.051(4) Uani 1 d . .
H3A H 1.0169(12) 0.1793(5) 0.8532(5) 0.061 Uiso 1 calc R .
H3B H 1.0608(12) 0.1364(5) 0.8048(5) 0.061 Uiso 1 calc R .
C4 C 0.9459(12) 0.2043(5) 0.7721(5) 0.047(3) Uani 1 d . .
H4A H 1.0032(12) 0.2382(5) 0.7691(5) 0.056 Uiso 1 calc R .
C5 C 0.9209(14) 0.1716(5) 0.7167(6) 0.055(4) Uani 1 d . .
C6 C 0.8243(14) 0.1347(6) 0.7232(5) 0.052(4) Uani 1 d . .
C7 C 1.0109(15) 0.1747(7) 0.6678(6) 0.091(5) Uani 1 d . .
H7A H 1.0725(15) 0.2057(7) 0.6739(6) 0.136 Uiso 1 calc R .
H7B H 0.9606(15) 0.1815(7) 0.6331(6) 0.136 Uiso 1 calc R .
H7C H 1.0579(15) 0.1389(7) 0.6646(6) 0.136 Uiso 1 calc R .
C8 C 0.7743(14) 0.0870(5) 0.6834(5) 0.073(5) Uani 1 d . .
H8A H 0.7018(14) 0.0675(5) 0.7007(5) 0.110 Uiso 1 calc R .
H8B H 0.8441(14) 0.0599(5) 0.6770(5) 0.110 Uiso 1 calc R .
H8C H 0.7456(14) 0.1035(5) 0.6475(5) 0.110 Uiso 1 calc R .
C9 C 0.6846(12) 0.2611(5) 0.7444(4) 0.042(3) Uani 1 d . .
C10 C 0.7392(13) 0.2888(5) 0.6981(5) 0.053(4) Uani 1 d . .
H10A H 0.8278(13) 0.2836(5) 0.6902(5) 0.063 Uiso 1 calc R .
C11 C 0.6624(17) 0.3242(6) 0.6635(6) 0.073(5) Uani 1 d . .
H11A H 0.6996(17) 0.3434(6) 0.6330(6) 0.087 Uiso 1 calc R .
C12 C 0.5316(19) 0.3309(7) 0.6742(6) 0.080(5) Uani 1 d . .
H12A H 0.4779(19) 0.3525(7) 0.6495(6) 0.096 Uiso 1 calc R .
C13 C 0.4804(16) 0.3057(7) 0.7217(7) 0.086(5) Uani 1 d . .
H13A H 0.3932(16) 0.3128(7) 0.7307(7) 0.104 Uiso 1 calc R .
C14 C 0.5549(13) 0.2700(6) 0.7562(5) 0.067(4) Uani 1 d . .
H14A H 0.5175(13) 0.2520(6) 0.7874(5) 0.081 Uiso 1 calc R .
C15 C 0.8983(12) 0.1089(5) 0.9559(5) 0.039(3) Uani 1 d . .
C16 C 0.8445(14) 0.0998(5) 1.0075(5) 0.055(4) Uani 1 d . .
H16A H 0.7559(14) 0.1084(5) 1.0125(5) 0.066 Uiso 1 calc R .
C17 C 0.9183(17) 0.0781(5) 1.0529(6) 0.065(4) Uani 1 d . .
H17A H 0.8803(17) 0.0715(5) 1.0881(6) 0.078 Uiso 1 calc R .
C18 C 1.0523(17) 0.0660(6) 1.0447(6) 0.070(5) Uani 1 d . .
H18A H 1.1037(17) 0.0519(6) 1.0750(6) 0.084 Uiso 1 calc R .
C19 C 1.1073(14) 0.0747(6) 0.9935(6) 0.069(5) Uani 1 d . .
H19A H 1.1965(14) 0.0674(6) 0.9887(6) 0.082 Uiso 1 calc R .
C20 C 1.0280(13) 0.0951(5) 0.9475(6) 0.061(4) Uani 1 d . .
H20A H 1.0635(13) 0.0991(5) 0.9114(6) 0.073 Uiso 1 calc R .
C21 C 0.6419(13) 0.0983(5) 0.9010(5) 0.040(3) Uani 1 d . .
C22 C 0.6446(15) 0.0407(6) 0.9134(6) 0.062(4) Uani 1 d . .
H22A H 0.7247(15) 0.0229(6) 0.9222(6) 0.074 Uiso 1 calc R .
C23 C 0.5296(21) 0.0086(7) 0.9130(7) 0.090(6) Uani 1 d . .
H23A H 0.5316(21) -0.0299(7) 0.9243(7) 0.107 Uiso 1 calc R .
C24 C 0.4119(20) 0.0339(9) 0.8960(8) 0.099(6) Uani 1 d . .
H24A H 0.3356(20) 0.0117(9) 0.8932(8) 0.119 Uiso 1 calc R .
C25 C 0.4079(16) 0.0897(9) 0.8837(7) 0.097(6) Uani 1 d . .
H25A H 0.3275(16) 0.1069(9) 0.8741(7) 0.116 Uiso 1 calc R .
C26 C 0.5227(13) 0.1232(6) 0.8849(5) 0.051(4) Uani 1 d . .
H26A H 0.5189(13) 0.1621(6) 0.8749(5) 0.061 Uiso 1 calc R .
C27 C 0.7897(13) 0.3741(5) 0.9495(5) 0.043(3) Uani 1 d . .
H27A H 0.8839(13) 0.3736(5) 0.9598(5) 0.052 Uiso 1 calc R .
C28 C 0.6978(13) 0.3373(5) 0.9889(5) 0.051(4) Uani 1 d . .
H28A H 0.6966(13) 0.3530(5) 1.0279(5) 0.061 Uiso 1 calc R .
C29 C 0.5569(12) 0.3402(5) 0.9591(5) 0.055(4) Uani 1 d . .
H29A H 0.5194(12) 0.3019(5) 0.9547(5) 0.066 Uiso 1 calc R .
H29B H 0.4975(12) 0.3638(5) 0.9811(5) 0.066 Uiso 1 calc R .
C30 C 0.5818(13) 0.3680(5) 0.8997(5) 0.052(4) Uani 1 d . .
H30A H 0.5113(13) 0.3625(5) 0.8707(5) 0.063 Uiso 1 calc R .
C31 C 0.6166(17) 0.4314(6) 0.9139(6) 0.065(5) Uani 1 d . .
C32 C 0.7290(17) 0.4325(5) 0.9421(5) 0.059(4) Uani 1 d . .
C33 C 0.5190(16) 0.4785(6) 0.9011(6) 0.091(6) Uani 1 d . .
H33A H 0.4458(16) 0.4631(6) 0.8793(6) 0.136 Uiso 1 calc R .
H33B H 0.5606(16) 0.5084(6) 0.8795(6) 0.136 Uiso 1 calc R .
H33C H 0.4882(16) 0.4943(6) 0.9364(6) 0.136 Uiso 1 calc R .
C34 C 0.7982(17) 0.4855(5) 0.9667(6) 0.095(6) Uani 1 d . .
H34A H 0.8796(17) 0.4741(5) 0.9853(6) 0.143 Uiso 1 calc R .
H34B H 0.7426(17) 0.5037(5) 0.9941(6) 0.143 Uiso 1 calc R .
H34C H 0.8162(17) 0.5121(5) 0.9364(6) 0.143 Uiso 1 calc R .
C35 C 0.8192(14) 0.3741(5) 0.8224(5) 0.043(3) Uani 1 d . .
C36 C 0.7538(14) 0.4114(5) 0.7860(5) 0.056(4) Uani 1 d . .
H36A H 0.6644(14) 0.4186(5) 0.7904(5) 0.067 Uiso 1 calc R .
C37 C 0.8209(19) 0.4382(6) 0.7430(6) 0.071(5) Uani 1 d . .
H37A H 0.7770(19) 0.4634(6) 0.7181(6) 0.085 Uiso 1 calc R .
C38 C 0.9527(20) 0.4277(7) 0.7369(7) 0.080(5) Uani 1 d . .
H38A H 0.9970(20) 0.4454(7) 0.7072(7) 0.096 Uiso 1 calc R .
C39 C 1.0219(16) 0.3911(7) 0.7742(7) 0.073(5) Uani 1 d . .
H39A H 1.1123(16) 0.3855(7) 0.7712(7) 0.087 Uiso 1 calc R .
C40 C 0.9504(17) 0.3634(6) 0.8161(6) 0.066(5) Uani 1 d . .
H40A H 0.9927(17) 0.3370(6) 0.8404(6) 0.079 Uiso 1 calc R .
C41 C 0.6629(12) 0.2202(5) 1.0361(5) 0.045(3) Uani 1 d . .
C42 C 0.5405(14) 0.2005(5) 1.0155(6) 0.055(4) Uani 1 d . .
H42A H 0.5112(14) 0.2103(5) 0.9787(6) 0.066 Uiso 1 calc R .
C43 C 0.4627(15) 0.1662(6) 1.0500(7) 0.070(4) Uani 1 d . .
H43A H 0.3818(15) 0.1527(6) 1.0360(7) 0.084 Uiso 1 calc R .
C44 C 0.5044(16) 0.1520(6) 1.1049(7) 0.075(5) Uani 1 d . .
H44A H 0.4505(16) 0.1312(6) 1.1291(7) 0.090 Uiso 1 calc R .
C45 C 0.6266(18) 0.1694(6) 1.1225(6) 0.073(5) Uani 1 d . .
H45A H 0.6585(18) 0.1566(6) 1.1580(6) 0.088 Uiso 1 calc R .
C46 C 0.7061(14) 0.2051(5) 1.0909(5) 0.059(4) Uani 1 d . .
H46A H 0.7861(14) 0.2185(5) 1.1059(5) 0.071 Uiso 1 calc R .
C47 C 0.9218(13) 0.2701(5) 1.0207(5) 0.049(3) Uani 1 d . .
C48 C 1.0323(13) 0.2510(6) 0.9926(5) 0.064(4) Uani 1 d . .
H48A H 1.0224(13) 0.2313(6) 0.9581(5) 0.076 Uiso 1 calc R .
C49 C 1.1573(15) 0.2609(8) 1.0156(7) 0.095(5) Uani 1 d . .
H49A H 1.2309(15) 0.2483(8) 0.9962(7) 0.113 Uiso 1 calc R .
C50 C 1.1724(20) 0.2888(8) 1.0656(9) 0.100(6) Uani 1 d . .
H50A H 1.2567(20) 0.2947(8) 1.0810(9) 0.120 Uiso 1 calc R .
C51 C 1.0675(20) 0.3083(8) 1.0941(7) 0.094(6) Uani 1 d . .
H51A H 1.0802(20) 0.3276(8) 1.1287(7) 0.112 Uiso 1 calc R .
C52 C 0.9427(16) 0.3001(6) 1.0725(6) 0.077(5) Uani 1 d . .
H52A H 0.8711(16) 0.3145(6) 1.0922(6) 0.092 Uiso 1 calc R .
B1 B 1.2874(24) 0.2725(32) 0.8536(20) 0.326(46) Uani 1 d . .
F1 F 1.2290(38) 0.3005(15) 0.8603(15) 0.540(33) Uani 1 d . .
F2 F 1.2690(12) 0.2293(7) 0.8072(5) 0.212(7) Uani 1 d . .
F3 F 1.3864(11) 0.2532(5) 0.8787(4) 0.140(4) Uani 1 d . .
F4 F 1.1904(28) 0.2362(15) 0.8865(9) 0.485(27) Uani 1 d . .
B2 B 0.9102(25) 0.0110(9) 1.2105(9) 0.075(6) Uani 1 d . .
F5 F 0.9381(15) 0.0031(10) 1.2598(5) 0.294(12) Uani 1 d . .
F6 F 0.8555(13) -0.0341(5) 1.1883(8) 0.222(8) Uani 1 d . .
F7 F 1.0217(12) 0.0207(4) 1.1807(5) 0.136(4) Uani 1 d . .
F8 F 0.8239(13) 0.0533(5) 1.2008(6) 0.171(6) Uani 1 d . .
C53 C 0.8496(27) 0.4946(10) 1.1518(11) 0.216(15) Uani 1 d . .
H53A H 0.8225(27) 0.5064(10) 1.1139(11) 0.324 Uiso 1 calc R .
H53B H 0.9416(27) 0.5028(10) 1.1578(11) 0.324 Uiso 1 calc R .
H53C H 0.7994(27) 0.5152(10) 1.1795(11) 0.324 Uiso 1 calc R .
C54 C 0.8277(24) 0.4341(13) 1.1581(11) 0.139(9) Uani 1 d . .
C55 C 0.8587(24) 0.4013(11) 1.2111(10) 0.199(13) Uani 1 d . .
H55A H 0.8362(24) 0.3614(11) 1.2054(10) 0.299 Uiso 1 calc R .
H55B H 0.8088(24) 0.4166(11) 1.2420(10) 0.299 Uiso 1 calc R .
H55C H 0.9511(24) 0.4045(11) 1.2202(10) 0.299 Uiso 1 calc R .
O1 O 0.7687(16) 0.4094(7) 1.1180(7) 0.166(7) Uani 1 d . .
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'
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'
Pt Pt -1.7033 8.3905 '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'
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
_geom_angle_publ_flag
P1 Pt1 P3 95.92(11) . . ?
P1 Pt1 P4 176.25(12) . . ?
P3 Pt1 P4 81.87(11) . . ?
P1 Pt1 P2 81.78(11) . . ?
P3 Pt1 P2 177.25(12) . . ?
P4 Pt1 P2 100.34(12) . . ?
C9 P1 C4 113.2(6) . . ?
C9 P1 C1 111.3(5) . . ?
C4 P1 C1 81.6(5) . . ?
C9 P1 Pt1 119.6(4) . . ?
C4 P1 Pt1 113.8(4) . . ?
C1 P1 Pt1 110.9(4) . . ?
C21 P2 C15 104.7(6) . . ?
C21 P2 C2 104.8(5) . . ?
C15 P2 C2 110.1(6) . . ?
C21 P2 Pt1 114.1(4) . . ?
C15 P2 Pt1 119.9(4) . . ?
C2 P2 Pt1 102.3(4) . . ?
C35 P3 C30 114.0(6) . . ?
C35 P3 C27 110.0(5) . . ?
C30 P3 C27 81.0(6) . . ?
C35 P3 Pt1 119.5(4) . . ?
C30 P3 Pt1 115.9(4) . . ?
C27 P3 Pt1 109.5(4) . . ?
C47 P4 C41 107.6(6) . . ?
C47 P4 C28 103.7(6) . . ?
C41 P4 C28 107.7(6) . . ?
C47 P4 Pt1 113.7(4) . . ?
C41 P4 Pt1 118.7(4) . . ?
C28 P4 Pt1 104.1(4) . . ?
C6 C1 C2 108.0(10) . . ?
C6 C1 P1 102.0(8) . . ?
C2 C1 P1 95.6(7) . . ?
C3 C2 C1 104.4(9) . . ?
C3 C2 P2 109.8(8) . . ?
C1 C2 P2 107.5(9) . . ?
C4 C3 C2 105.8(10) . . ?
C5 C4 C3 107.4(10) . . ?
C5 C4 P1 102.1(9) . . ?
C3 C4 P1 99.7(8) . . ?
C6 C5 C7 126.7(13) . . ?
C6 C5 C4 109.7(12) . . ?
C7 C5 C4 122.7(13) . . ?
C5 C6 C8 129.8(13) . . ?
C5 C6 C1 112.0(12) . . ?
C8 C6 C1 118.2(12) . . ?
C14 C9 C10 119.5(12) . . ?
C14 C9 P1 116.9(10) . . ?
C10 C9 P1 123.3(10) . . ?
C11 C10 C9 120.1(13) . . ?
C12 C11 C10 120.0(14) . . ?
C13 C12 C11 119.2(14) . . ?
C12 C13 C14 121.4(16) . . ?
C9 C14 C13 119.6(14) . . ?
C16 C15 C20 120.0(12) . . ?
C16 C15 P2 118.5(10) . . ?
C20 C15 P2 121.5(10) . . ?
C15 C16 C17 121.2(14) . . ?
C16 C17 C18 118.6(14) . . ?
C19 C18 C17 121.0(14) . . ?
C18 C19 C20 119.1(14) . . ?
C15 C20 C19 120.1(13) . . ?
C22 C21 C26 118.6(12) . . ?
C22 C21 P2 120.1(11) . . ?
C26 C21 P2 121.0(10) . . ?
C21 C22 C23 120.7(15) . . ?
C24 C23 C22 119.9(16) . . ?
C25 C24 C23 119.9(19) . . ?
C24 C25 C26 121.0(18) . . ?
C21 C26 C25 119.7(13) . . ?
C32 C27 C28 108.0(10) . . ?
C32 C27 P3 102.3(8) . . ?
C28 C27 P3 96.5(7) . . ?
C27 C28 C29 105.2(9) . . ?
C27 C28 P4 106.5(8) . . ?
C29 C28 P4 111.0(8) . . ?
C30 C29 C28 104.2(10) . . ?
C31 C30 C29 104.1(10) . . ?
C31 C30 P3 102.1(9) . . ?
C29 C30 P3 102.4(8) . . ?
C32 C31 C33 130.8(15) . . ?
C32 C31 C30 108.6(12) . . ?
C33 C31 C30 120.2(14) . . ?
C31 C32 C27 113.2(13) . . ?
C31 C32 C34 126.6(14) . . ?
C27 C32 C34 120.1(14) . . ?
C40 C35 C36 120.5(13) . . ?
C40 C35 P3 115.9(11) . . ?
C36 C35 P3 123.6(11) . . ?
C37 C36 C35 119.7(14) . . ?
C38 C37 C36 119.8(15) . . ?
C37 C38 C39 121.5(17) . . ?
C40 C39 C38 117.3(16) . . ?
C35 C40 C39 121.2(15) . . ?
C46 C41 C42 119.6(12) . . ?
C46 C41 P4 122.3(10) . . ?
C42 C41 P4 118.1(9) . . ?
C43 C42 C41 119.9(13) . . ?
C44 C43 C42 120.6(15) . . ?
C45 C44 C43 117.9(15) . . ?
C44 C45 C46 123.8(14) . . ?
C45 C46 C41 117.9(13) . . ?
C48 C47 C52 117.3(13) . . ?
C48 C47 P4 120.7(9) . . ?
C52 C47 P4 121.7(11) . . ?
C49 C48 C47 120.6(13) . . ?
C50 C49 C48 120.1(16) . . ?
C49 C50 C51 121.1(18) . . ?
C50 C51 C52 120.6(17) . . ?
C51 C52 C47 120.3(16) . . ?
F1 B1 F3 135.5(46) . . ?
F1 B1 F4 82.8(50) . . ?
F3 B1 F4 95.1(59) . . ?
F1 B1 F2 123.0(40) . . ?
F3 B1 F2 100.9(34) . . ?
F4 B1 F2 85.6(37) . . ?
F5 B2 F6 110.6(21) . . ?
F5 B2 F8 114.6(21) . . ?
F6 B2 F8 104.7(20) . . ?
F5 B2 F7 109.8(21) . . ?
F6 B2 F7 106.5(18) . . ?
F8 B2 F7 110.2(17) . . ?
O1 C54 C53 116.7(28) . . ?
O1 C54 C55 118.9(28) . . ?
C53 C54 C55 124.1(24) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.312(3) . ?
Pt1 P3 2.318(3) . ?
Pt1 P4 2.324(3) . ?
Pt1 P2 2.341(3) . ?
P1 C9 1.791(11) . ?
P1 C4 1.821(12) . ?
P1 C1 1.846(12) . ?
P2 C21 1.819(12) . ?
P2 C15 1.823(11) . ?
P2 C2 1.829(12) . ?
P3 C35 1.804(12) . ?
P3 C30 1.831(13) . ?
P3 C27 1.846(11) . ?
P4 C47 1.773(12) . ?
P4 C41 1.822(12) . ?
P4 C28 1.837(11) . ?
C1 C6 1.52(2) . ?
C1 C2 1.573(15) . ?
C2 C3 1.58(2) . ?
C3 C4 1.543(15) . ?
C4 C5 1.52(2) . ?
C5 C6 1.31(2) . ?
C5 C7 1.48(2) . ?
C6 C8 1.52(2) . ?
C9 C14 1.37(2) . ?
C9 C10 1.385(15) . ?
C10 C11 1.38(2) . ?
C11 C12 1.37(2) . ?
C12 C13 1.37(2) . ?
C13 C14 1.37(2) . ?
C15 C16 1.35(2) . ?
C15 C20 1.37(2) . ?
C16 C17 1.38(2) . ?
C17 C18 1.41(2) . ?
C18 C19 1.34(2) . ?
C19 C20 1.41(2) . ?
C21 C22 1.364(15) . ?
C21 C26 1.38(2) . ?
C22 C23 1.38(2) . ?
C23 C24 1.38(2) . ?
C24 C25 1.33(2) . ?
C25 C26 1.40(2) . ?
C27 C32 1.49(2) . ?
C27 C28 1.58(2) . ?
C28 C29 1.58(2) . ?
C29 C30 1.55(2) . ?
C30 C31 1.55(2) . ?
C31 C32 1.30(2) . ?
C31 C33 1.50(2) . ?
C32 C34 1.52(2) . ?
C35 C40 1.37(2) . ?
C35 C36 1.37(2) . ?
C36 C37 1.38(2) . ?
C37 C38 1.37(2) . ?
C38 C39 1.39(2) . ?
C39 C40 1.39(2) . ?
C41 C46 1.387(15) . ?
C41 C42 1.40(2) . ?
C42 C43 1.39(2) . ?
C43 C44 1.38(2) . ?
C44 C45 1.36(2) . ?
C45 C46 1.38(2) . ?
C47 C48 1.38(2) . ?
C47 C52 1.41(2) . ?
C48 C49 1.38(2) . ?
C49 C50 1.34(2) . ?
C50 C51 1.35(2) . ?
C51 C52 1.36(2) . ?
B1 F1 0.90(4) . ?
B1 F3 1.23(4) . ?
B1 F4 1.52(7) . ?
B1 F2 1.48(4) . ?
B2 F5 1.19(2) . ?
B2 F6 1.29(2) . ?
B2 F8 1.33(2) . ?
B2 F7 1.36(2) . ?
C53 C54 1.43(3) . ?
C54 O1 1.24(2) . ?
C54 C55 1.48(3) . ?
