#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:05:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179092 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/54/4305466.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_4305466
loop_
_publ_author_name
'Edward E. Korshin'
'Gregory Leitus'
'Linda J. W. Shimon'
'Leonid Konstantinovski'
'David Milstein'
_publ_section_title
;
Silanol-Based Pincer Pt(II) Complexes: Synthesis, Structure, and Unusual
Reactivity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7177
_journal_page_last               7189
_journal_paper_doi               10.1021/ic800457u
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C49 H37 B F20 O2 P2 Pt Si'
_chemical_formula_weight         1333.72
_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                112.54(3)
_cell_angle_beta                 94.60(3)
_cell_angle_gamma                116.83(3)
_cell_formula_units_Z            2
_cell_length_a                   13.658(3)
_cell_length_b                   15.098(3)
_cell_length_c                   15.201(3)
_cell_measurement_reflns_used    10918
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.0
_cell_volume                     2458.5(16)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package (Bruker Nonius)'
_computing_data_reduction        HKL
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and 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  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11193
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    3.060
_exptl_absorpt_correction_T_max  0.7495
_exptl_absorpt_correction_T_min  0.3741
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.529
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         11193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0115P)²+3.2906P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0543
_reflns_number_gt                10076
_reflns_number_total             11193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800457u-file001_2.cif
_cod_data_source_block           m739an
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305466
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.014375(8) 0.643753(8) 0.297249(7) 0.01745(3) Uani 1 1 d . . .
P1 P -0.13300(5) 0.65071(5) 0.18449(5) 0.01541(13) Uani 1 1 d . . .
P2 P 0.14948(5) 0.67587(6) 0.39523(5) 0.01844(13) Uani 1 1 d . . .
Si1 Si 0.09718(6) 0.65861(6) 0.18659(5) 0.01539(14) Uani 1 1 d . . .
O1 O 0.07096(16) 0.53610(15) 0.10078(14) 0.0237(4) Uani 1 1 d . . .
H1 H 0.0237 0.5149 0.0476 0.036 Uiso 1 1 calc R . .
O2 O -0.17925(17) 0.5858(2) 0.42216(16) 0.0397(6) Uani 1 1 d . . .
C1 C 0.0529(2) 0.7141(2) 0.11043(18) 0.0170(5) Uani 1 1 d . . .
C2 C 0.1122(2) 0.7530(2) 0.04928(19) 0.0201(5) Uani 1 1 d . . .
H2 H 0.1862 0.7624 0.0520 0.024 Uiso 1 1 calc R . .
C3 C 0.0644(2) 0.7778(2) -0.0149(2) 0.0240(6) Uani 1 1 d . . .
H3 H 0.1055 0.8035 -0.0560 0.029 Uiso 1 1 calc R . .
C4 C -0.0432(2) 0.7653(2) -0.0194(2) 0.0225(6) Uani 1 1 d . . .
H4 H -0.0756 0.7825 -0.0636 0.027 Uiso 1 1 calc R . .
C5 C -0.1038(2) 0.7276(2) 0.04046(19) 0.0201(5) Uani 1 1 d . . .
H5 H -0.1770 0.7199 0.0379 0.024 Uiso 1 1 calc R . .
C6 C -0.0569(2) 0.7010(2) 0.10435(18) 0.0163(5) Uani 1 1 d . . .
C7 C 0.2519(2) 0.7435(2) 0.26444(19) 0.0200(5) Uani 1 1 d . . .
C8 C 0.3467(2) 0.7996(3) 0.2354(2) 0.0274(6) Uani 1 1 d . . .
H8 H 0.3339 0.7960 0.1715 0.033 Uiso 1 1 calc R . .
C9 C 0.4586(2) 0.8602(3) 0.2985(2) 0.0310(7) Uani 1 1 d . . .
H9 H 0.5215 0.8984 0.2779 0.037 Uiso 1 1 calc R . .
C10 C 0.4790(2) 0.8650(2) 0.3916(2) 0.0283(6) Uani 1 1 d . . .
H10 H 0.5558 0.9063 0.4345 0.034 Uiso 1 1 calc R . .
C11 C 0.3878(2) 0.8098(2) 0.4220(2) 0.0243(6) Uani 1 1 d . . .
H11 H 0.4021 0.8129 0.4857 0.029 Uiso 1 1 calc R . .
C12 C 0.2744(2) 0.7492(2) 0.35934(19) 0.0193(5) Uani 1 1 d . . .
C13 C -0.1717(2) 0.7557(2) 0.2470(2) 0.0210(5) Uani 1 1 d . . .
H13 H -0.2016 0.7699 0.1949 0.025 Uiso 1 1 calc R . .
C14 C -0.0633(2) 0.8667(2) 0.3235(2) 0.0289(6) Uani 1 1 d . . .
H14A H -0.0826 0.9247 0.3520 0.043 Uiso 1 1 calc R . .
H14B H -0.0049 0.8901 0.2904 0.043 Uiso 1 1 calc R . .
H14C H -0.0330 0.8564 0.3771 0.043 Uiso 1 1 calc R . .
C15 C -0.2667(3) 0.7171(3) 0.2955(2) 0.0318(7) Uani 1 1 d . . .
H15A H -0.2397 0.7034 0.3479 0.048 Uiso 1 1 calc R . .
H15B H -0.3359 0.6476 0.2444 0.048 Uiso 1 1 calc R . .
H15C H -0.2849 0.7758 0.3250 0.048 Uiso 1 1 calc R . .
C16 C -0.2686(2) 0.5151(2) 0.10627(19) 0.0191(5) Uani 1 1 d . . .
H16 H -0.3130 0.4969 0.1524 0.023 Uiso 1 1 calc R . .
C17 C -0.3464(2) 0.5161(3) 0.0286(2) 0.0324(7) Uani 1 1 d . . .
H17A H -0.3102 0.5242 -0.0232 0.049 Uiso 1 1 calc R . .
H17B H -0.3573 0.5795 0.0615 0.049 Uiso 1 1 calc R . .
H17C H -0.4214 0.4454 -0.0021 0.049 Uiso 1 1 calc R . .
C18 C -0.2431(2) 0.4215(2) 0.0572(2) 0.0258(6) Uani 1 1 d . . .
H18A H -0.3157 0.3485 0.0229 0.039 Uiso 1 1 calc R . .
H18B H -0.1944 0.4222 0.1086 0.039 Uiso 1 1 calc R . .
H18C H -0.2030 0.4342 0.0086 0.039 Uiso 1 1 calc R . .
C19 C 0.1881(2) 0.7713(3) 0.5294(2) 0.0279(6) Uani 1 1 d . . .
H19 H 0.2695 0.7971 0.5612 0.034 Uiso 1 1 calc R . .
C20 C 0.1857(3) 0.8755(3) 0.5417(2) 0.0397(8) Uani 1 1 d . . .
H20A H 0.1057 0.8549 0.5190 0.060 Uiso 1 1 calc R . .
H20B H 0.2292 0.9059 0.5017 0.060 Uiso 1 1 calc R . .
H20C H 0.2207 0.9325 0.6124 0.060 Uiso 1 1 calc R . .
C21 C 0.1141(3) 0.7146(3) 0.5837(2) 0.0378(8) Uani 1 1 d . . .
H21A H 0.1380 0.7698 0.6541 0.057 Uiso 1 1 calc R . .
H21B H 0.1239 0.6528 0.5796 0.057 Uiso 1 1 calc R . .
H21C H 0.0329 0.6848 0.5523 0.057 Uiso 1 1 calc R . .
C22 C 0.1414(2) 0.5470(2) 0.3863(2) 0.0257(6) Uani 1 1 d . . .
H22 H 0.0783 0.5129 0.4136 0.031 Uiso 1 1 calc R . .
C23 C 0.2518(3) 0.5702(3) 0.4493(2) 0.0333(7) Uani 1 1 d . . .
H23A H 0.2409 0.4993 0.4440 0.050 Uiso 1 1 calc R . .
H23B H 0.2692 0.6223 0.5194 0.050 Uiso 1 1 calc R . .
H23C H 0.3160 0.6036 0.4247 0.050 Uiso 1 1 calc R . .
C24 C 0.1070(3) 0.4604(3) 0.2774(2) 0.0346(7) Uani 1 1 d . . .
H24A H 0.1664 0.4912 0.2475 0.052 Uiso 1 1 calc R . .
H24B H 0.0332 0.4429 0.2401 0.052 Uiso 1 1 calc R . .
H24C H 0.0994 0.3916 0.2746 0.052 Uiso 1 1 calc R . .
C25 C -0.1181(2) 0.6122(2) 0.3805(2) 0.0238(6) Uani 1 1 d . . .
B1 B 0.3845(2) 0.2270(2) 0.1941(2) 0.0153(5) Uani 1 1 d . . .
F1 F 0.19128(12) 0.25107(13) 0.21961(11) 0.0220(3) Uani 1 1 d . . .
F2 F 0.06980(13) 0.21403(15) 0.34360(12) 0.0336(4) Uani 1 1 d . . .
F3 F 0.10985(15) 0.12194(16) 0.45484(12) 0.0413(5) Uani 1 1 d . . .
F4 F 0.27458(16) 0.06649(15) 0.43689(13) 0.0383(4) Uani 1 1 d . . .
F5 F 0.40646(14) 0.11574(14) 0.32463(13) 0.0295(4) Uani 1 1 d . . .
F6 F 0.33783(13) 0.00039(12) 0.11767(12) 0.0269(4) Uani 1 1 d . . .
F7 F 0.48547(16) -0.07051(14) 0.08850(15) 0.0387(4) Uani 1 1 d . . .
F8 F 0.71531(16) 0.08156(17) 0.13389(16) 0.0444(5) Uani 1 1 d . . .
F9 F 0.79179(13) 0.30421(15) 0.21041(14) 0.0329(4) Uani 1 1 d . . .
F10 F 0.64844(12) 0.37682(12) 0.24086(12) 0.0220(3) Uani 1 1 d . . .
F11 F 0.13575(12) 0.02784(12) 0.07321(11) 0.0222(3) Uani 1 1 d . . .
F12 F 0.04274(12) -0.06440(13) -0.12277(11) 0.0261(3) Uani 1 1 d . . .
F13 F 0.16207(14) 0.02117(14) -0.23370(11) 0.0292(4) Uani 1 1 d . . .
F14 F 0.38154(14) 0.20447(14) -0.14243(12) 0.0298(4) Uani 1 1 d . . .
F15 F 0.47864(12) 0.29728(13) 0.05461(11) 0.0239(3) Uani 1 1 d . . .
F16 F 0.33161(13) 0.37695(12) 0.13174(11) 0.0225(3) Uani 1 1 d . . .
F17 F 0.40934(14) 0.59167(13) 0.24691(12) 0.0280(4) Uani 1 1 d . . .
F18 F 0.55742(14) 0.70494(12) 0.43534(12) 0.0277(4) Uani 1 1 d . . .
F19 F 0.62880(12) 0.59501(12) 0.50540(11) 0.0230(3) Uani 1 1 d . . .
F20 F 0.54730(12) 0.37625(12) 0.39227(11) 0.0211(3) Uani 1 1 d . . .
C31 C 0.3041(2) 0.1831(2) 0.26210(18) 0.0170(5) Uani 1 1 d . . .
C32 C 0.2153(2) 0.2048(2) 0.27198(19) 0.0202(5) Uani 1 1 d . . .
C33 C 0.1500(2) 0.1851(2) 0.3347(2) 0.0246(6) Uani 1 1 d . . .
C34 C 0.1699(2) 0.1382(2) 0.3900(2) 0.0288(7) Uani 1 1 d . . .
C35 C 0.2538(2) 0.1128(2) 0.3827(2) 0.0269(6) Uani 1 1 d . . .
C36 C 0.3205(2) 0.1370(2) 0.3209(2) 0.0217(5) Uani 1 1 d . . .
C37 C 0.4841(2) 0.1928(2) 0.18481(19) 0.0171(5) Uani 1 1 d . . .
C38 C 0.4506(2) 0.0797(2) 0.1437(2) 0.0213(5) Uani 1 1 d . . .
C39 C 0.5247(3) 0.0408(2) 0.1270(2) 0.0271(6) Uani 1 1 d . . .
C40 C 0.6401(3) 0.1167(3) 0.1501(2) 0.0282(6) Uani 1 1 d . . .
C41 C 0.6783(2) 0.2285(2) 0.1883(2) 0.0247(6) Uani 1 1 d . . .
C42 C 0.6011(2) 0.2645(2) 0.20440(19) 0.0185(5) Uani 1 1 d . . .
C43 C 0.3122(2) 0.1696(2) 0.07558(19) 0.0165(5) Uani 1 1 d . . .
C44 C 0.2006(2) 0.0770(2) 0.02436(19) 0.0160(5) Uani 1 1 d . . .
C45 C 0.1493(2) 0.0276(2) -0.07725(19) 0.0186(5) Uani 1 1 d . . .
C46 C 0.2096(2) 0.0707(2) -0.13407(19) 0.0203(5) Uani 1 1 d . . .
C47 C 0.3208(2) 0.1623(2) -0.08731(19) 0.0199(5) Uani 1 1 d . . .
C48 C 0.3685(2) 0.2080(2) 0.01370(19) 0.0174(5) Uani 1 1 d . . .
C49 C 0.43843(19) 0.3645(2) 0.25459(18) 0.0151(5) Uani 1 1 d . . .
C50 C 0.4066(2) 0.4258(2) 0.22357(18) 0.0170(5) Uani 1 1 d . . .
C51 C 0.4447(2) 0.5384(2) 0.28211(19) 0.0186(5) Uani 1 1 d . . .
C52 C 0.5193(2) 0.5957(2) 0.37753(19) 0.0195(5) Uani 1 1 d . . .
C53 C 0.5549(2) 0.5397(2) 0.41232(18) 0.0180(5) Uani 1 1 d . . .
C54 C 0.5131(2) 0.4272(2) 0.35185(18) 0.0161(5) Uani 1 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'
O O 0.0106 0.0060 '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'
Si Si 0.0817 0.0704 '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'
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
C25 Pt1 P2 99.29(8) . . ?
C25 Pt1 P1 97.41(8) . . ?
P2 Pt1 P1 161.23(2) . . ?
C25 Pt1 Si1 173.43(8) . . ?
P2 Pt1 Si1 82.07(3) . . ?
P1 Pt1 Si1 82.32(3) . . ?
C6 P1 C13 102.61(12) . . ?
C6 P1 C16 109.58(12) . . ?
C13 P1 C16 107.19(12) . . ?
C6 P1 Pt1 110.97(9) . . ?
C13 P1 Pt1 112.41(10) . . ?
C16 P1 Pt1 113.48(9) . . ?
C12 P2 C19 103.93(13) . . ?
C12 P2 C22 108.14(13) . . ?
C19 P2 C22 106.74(14) . . ?
C12 P2 Pt1 109.44(9) . . ?
C19 P2 Pt1 113.60(10) . . ?
C22 P2 Pt1 114.35(10) . . ?
O1 Si1 C1 102.93(11) . . ?
O1 Si1 C7 108.20(12) . . ?
C1 Si1 C7 116.87(12) . . ?
O1 Si1 Pt1 113.74(8) . . ?
C1 Si1 Pt1 108.43(8) . . ?
C7 Si1 Pt1 106.91(9) . . ?
Si1 O1 H1 109.5 . . ?
C2 C1 C6 118.0(2) . . ?
C2 C1 Si1 125.4(2) . . ?
C6 C1 Si1 116.07(18) . . ?
C3 C2 C1 121.0(2) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 120.3(2) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.0(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.7(2) . . ?
C5 C6 P1 121.78(19) . . ?
C1 C6 P1 117.55(19) . . ?
C8 C7 C12 117.8(2) . . ?
C8 C7 Si1 125.5(2) . . ?
C12 C7 Si1 116.64(19) . . ?
C9 C8 C7 121.2(3) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C8 C9 C10 120.1(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 120.5(2) . . ?
C11 C12 P2 122.7(2) . . ?
C7 C12 P2 116.89(19) . . ?
C14 C13 C15 111.2(2) . . ?
C14 C13 P1 109.52(19) . . ?
C15 C13 P1 113.93(19) . . ?
C14 C13 H13 107.3 . . ?
C15 C13 H13 107.3 . . ?
P1 C13 H13 107.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 111.3(2) . . ?
C17 C16 P1 114.58(18) . . ?
C18 C16 P1 110.04(17) . . ?
C17 C16 H16 106.8 . . ?
C18 C16 H16 106.8 . . ?
P1 C16 H16 106.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C20 112.0(3) . . ?
C21 C19 P2 113.5(2) . . ?
C20 C19 P2 109.5(2) . . ?
C21 C19 H19 107.2 . . ?
C20 C19 H19 107.2 . . ?
P2 C19 H19 107.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 111.2(3) . . ?
C24 C22 P2 111.2(2) . . ?
C23 C22 P2 113.4(2) . . ?
C24 C22 H22 106.9 . . ?
C23 C22 H22 106.9 . . ?
P2 C22 H22 106.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O2 C25 Pt1 174.5(3) . . ?
C43 B1 C37 101.7(2) . . ?
C43 B1 C49 112.6(2) . . ?
C37 B1 C49 113.6(2) . . ?
C43 B1 C31 114.1(2) . . ?
C37 B1 C31 113.6(2) . . ?
C49 B1 C31 101.65(19) . . ?
C36 C31 C32 113.4(2) . . ?
C36 C31 B1 128.2(2) . . ?
C32 C31 B1 118.0(2) . . ?
F1 C32 C33 115.9(2) . . ?
F1 C32 C31 119.4(2) . . ?
C33 C32 C31 124.7(3) . . ?
F2 C33 C34 120.2(2) . . ?
F2 C33 C32 120.8(3) . . ?
C34 C33 C32 118.9(3) . . ?
F3 C34 C35 120.4(3) . . ?
F3 C34 C33 119.9(3) . . ?
C35 C34 C33 119.6(2) . . ?
F4 C35 C34 120.4(3) . . ?
F4 C35 C36 119.7(3) . . ?
C34 C35 C36 119.9(3) . . ?
F5 C36 C31 121.5(2) . . ?
F5 C36 C35 115.0(2) . . ?
C31 C36 C35 123.5(3) . . ?
C42 C37 C38 113.2(2) . . ?
C42 C37 B1 127.0(2) . . ?
C38 C37 B1 119.4(2) . . ?
F6 C38 C39 116.1(2) . . ?
F6 C38 C37 119.2(2) . . ?
C39 C38 C37 124.6(2) . . ?
F7 C39 C40 120.0(3) . . ?
F7 C39 C38 121.0(3) . . ?
C40 C39 C38 119.1(3) . . ?
F8 C40 C41 119.9(3) . . ?
F8 C40 C39 120.8(3) . . ?
C41 C40 C39 119.3(3) . . ?
F9 C41 C40 119.9(2) . . ?
F9 C41 C42 120.2(2) . . ?
C40 C41 C42 119.9(2) . . ?
F10 C42 C41 114.6(2) . . ?
F10 C42 C37 121.6(2) . . ?
C41 C42 C37 123.7(2) . . ?
C44 C43 C48 113.2(2) . . ?
C44 C43 B1 127.4(2) . . ?
C48 C43 B1 119.1(2) . . ?
F11 C44 C45 115.5(2) . . ?
F11 C44 C43 120.4(2) . . ?
C45 C44 C43 124.1(2) . . ?
F12 C45 C44 121.1(2) . . ?
F12 C45 C46 119.1(2) . . ?
C44 C45 C46 119.8(2) . . ?
F13 C46 C47 120.8(2) . . ?
F13 C46 C45 120.4(2) . . ?
C47 C46 C45 118.7(2) . . ?
F14 C47 C48 121.2(2) . . ?
F14 C47 C46 119.3(2) . . ?
C48 C47 C46 119.4(2) . . ?
F15 C48 C47 116.3(2) . . ?
F15 C48 C43 118.9(2) . . ?
C47 C48 C43 124.8(2) . . ?
C50 C49 C54 113.4(2) . . ?
C50 C49 B1 126.7(2) . . ?
C54 C49 B1 119.4(2) . . ?
F16 C50 C51 114.4(2) . . ?
F16 C50 C49 121.2(2) . . ?
C51 C50 C49 124.3(2) . . ?
F17 C51 C52 120.0(2) . . ?
F17 C51 C50 120.8(2) . . ?
C52 C51 C50 119.2(2) . . ?
F18 C52 C51 120.1(2) . . ?
F18 C52 C53 120.7(2) . . ?
C51 C52 C53 119.2(2) . . ?
F19 C53 C54 120.7(2) . . ?
F19 C53 C52 119.8(2) . . ?
C54 C53 C52 119.4(2) . . ?
F20 C54 C53 116.3(2) . . ?
F20 C54 C49 119.3(2) . . ?
C53 C54 C49 124.4(2) . . ?
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 C25 1.994(3) . ?
Pt1 P2 2.3225(11) . ?
Pt1 P1 2.3281(10) . ?
Pt1 Si1 2.3650(9) . ?
P1 C6 1.828(2) . ?
P1 C13 1.838(3) . ?
P1 C16 1.842(3) . ?
P2 C12 1.828(3) . ?
P2 C19 1.845(3) . ?
P2 C22 1.848(3) . ?
Si1 O1 1.652(2) . ?
Si1 C1 1.870(3) . ?
Si1 C7 1.871(3) . ?
O1 H1 0.8400 . ?
O2 C25 1.111(3) . ?
C1 C2 1.405(3) . ?
C1 C6 1.411(3) . ?
C2 C3 1.385(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(4) . ?
C5 H5 0.9500 . ?
C7 C8 1.406(4) . ?
C7 C12 1.411(4) . ?
C8 C9 1.386(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.401(4) . ?
C11 H11 0.9500 . ?
C13 C14 1.530(4) . ?
C13 C15 1.537(4) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.533(4) . ?
C16 C18 1.533(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.526(4) . ?
C19 C20 1.527(5) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.528(4) . ?
C22 C23 1.533(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
B1 C43 1.649(4) . ?
B1 C37 1.657(4) . ?
B1 C49 1.658(4) . ?
B1 C31 1.662(4) . ?
F1 C32 1.349(3) . ?
F2 C33 1.348(3) . ?
F3 C34 1.356(3) . ?
F4 C35 1.353(3) . ?
F5 C36 1.353(3) . ?
F6 C38 1.355(3) . ?
F7 C39 1.355(3) . ?
F8 C40 1.353(3) . ?
F9 C41 1.358(3) . ?
F10 C42 1.353(3) . ?
F11 C44 1.349(3) . ?
F12 C45 1.342(3) . ?
F13 C46 1.345(3) . ?
F14 C47 1.356(3) . ?
F15 C48 1.357(3) . ?
F16 C50 1.357(3) . ?
F17 C51 1.343(3) . ?
F18 C52 1.344(3) . ?
F19 C53 1.350(3) . ?
F20 C54 1.352(3) . ?
C31 C36 1.385(4) . ?
C31 C32 1.397(4) . ?
C32 C33 1.381(4) . ?
C33 C34 1.371(4) . ?
C34 C35 1.361(4) . ?
C35 C36 1.396(4) . ?
C37 C42 1.389(3) . ?
C37 C38 1.396(4) . ?
C38 C39 1.377(4) . ?
C39 C40 1.376(4) . ?
C40 C41 1.366(4) . ?
C41 C42 1.387(4) . ?
C43 C44 1.391(3) . ?
C43 C48 1.395(3) . ?
C44 C45 1.380(4) . ?
C45 C46 1.382(4) . ?
C46 C47 1.380(4) . ?
C47 C48 1.371(4) . ?
C49 C50 1.390(4) . ?
C49 C54 1.391(4) . ?
C50 C51 1.386(4) . ?
C51 C52 1.377(4) . ?
C52 C53 1.379(4) . ?
C53 C54 1.378(4) . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C25 Pt1 P1 C6 170.99(12) . . . . ?
P2 Pt1 P1 C6 18.30(12) . . . . ?
Si1 Pt1 P1 C6 -15.64(9) . . . . ?
C25 Pt1 P1 C13 56.72(13) . . . . ?
P2 Pt1 P1 C13 -95.96(12) . . . . ?
Si1 Pt1 P1 C13 -129.90(10) . . . . ?
C25 Pt1 P1 C16 -65.12(13) . . . . ?
P2 Pt1 P1 C16 142.20(11) . . . . ?
Si1 Pt1 P1 C16 108.25(10) . . . . ?
C25 Pt1 P2 C12 -162.57(12) . . . . ?
P1 Pt1 P2 C12 -10.03(13) . . . . ?
Si1 Pt1 P2 C12 23.94(9) . . . . ?
C25 Pt1 P2 C19 -46.92(14) . . . . ?
P1 Pt1 P2 C19 105.62(13) . . . . ?
Si1 Pt1 P2 C19 139.58(11) . . . . ?
C25 Pt1 P2 C22 75.95(14) . . . . ?
P1 Pt1 P2 C22 -131.51(12) . . . . ?
Si1 Pt1 P2 C22 -97.54(11) . . . . ?
C25 Pt1 Si1 O1 -6.9(7) . . . . ?
P2 Pt1 Si1 O1 95.48(10) . . . . ?
P1 Pt1 Si1 O1 -94.97(10) . . . . ?
C25 Pt1 Si1 C1 106.9(7) . . . . ?
P2 Pt1 Si1 C1 -150.68(9) . . . . ?
P1 Pt1 Si1 C1 18.87(8) . . . . ?
C25 Pt1 Si1 C7 -126.3(7) . . . . ?
P2 Pt1 Si1 C7 -23.87(9) . . . . ?
P1 Pt1 Si1 C7 145.68(9) . . . . ?
O1 Si1 C1 C2 -71.0(2) . . . . ?
C7 Si1 C1 C2 47.4(3) . . . . ?
Pt1 Si1 C1 C2 168.2(2) . . . . ?
O1 Si1 C1 C6 100.0(2) . . . . ?
C7 Si1 C1 C6 -141.58(19) . . . . ?
Pt1 Si1 C1 C6 -20.8(2) . . . . ?
C6 C1 C2 C3 0.1(4) . . . . ?
Si1 C1 C2 C3 170.9(2) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C2 C3 C4 C5 -0.1(4) . . . . ?
C3 C4 C5 C6 -0.8(4) . . . . ?
C4 C5 C6 C1 1.3(4) . . . . ?
C4 C5 C6 P1 -179.8(2) . . . . ?
C2 C1 C6 C5 -0.9(4) . . . . ?
Si1 C1 C6 C5 -172.61(19) . . . . ?
C2 C1 C6 P1 -179.86(19) . . . . ?
Si1 C1 C6 P1 8.4(3) . . . . ?
C13 P1 C6 C5 -50.6(2) . . . . ?
C16 P1 C6 C5 63.1(2) . . . . ?
Pt1 P1 C6 C5 -170.84(19) . . . . ?
C13 P1 C6 C1 128.4(2) . . . . ?
C16 P1 C6 C1 -118.0(2) . . . . ?
Pt1 P1 C6 C1 8.1(2) . . . . ?
O1 Si1 C7 C8 76.6(3) . . . . ?
C1 Si1 C7 C8 -38.9(3) . . . . ?
Pt1 Si1 C7 C8 -160.6(2) . . . . ?
O1 Si1 C7 C12 -102.1(2) . . . . ?
C1 Si1 C7 C12 142.4(2) . . . . ?
Pt1 Si1 C7 C12 20.8(2) . . . . ?
C12 C7 C8 C9 -1.0(4) . . . . ?
Si1 C7 C8 C9 -179.7(2) . . . . ?
C7 C8 C9 C10 0.9(5) . . . . ?
C8 C9 C10 C11 -0.2(5) . . . . ?
C9 C10 C11 C12 -0.4(5) . . . . ?
C10 C11 C12 C7 0.3(4) . . . . ?
C10 C11 C12 P2 -179.1(2) . . . . ?
C8 C7 C12 C11 0.4(4) . . . . ?
Si1 C7 C12 C11 179.2(2) . . . . ?
C8 C7 C12 P2 179.8(2) . . . . ?
Si1 C7 C12 P2 -1.4(3) . . . . ?
C19 P2 C12 C11 38.5(3) . . . . ?
C22 P2 C12 C11 -74.7(3) . . . . ?
Pt1 P2 C12 C11 160.1(2) . . . . ?
C19 P2 C12 C7 -140.9(2) . . . . ?
C22 P2 C12 C7 105.9(2) . . . . ?
Pt1 P2 C12 C7 -19.3(2) . . . . ?
C6 P1 C13 C14 -71.9(2) . . . . ?
C16 P1 C13 C14 172.69(19) . . . . ?
Pt1 P1 C13 C14 47.3(2) . . . . ?
C6 P1 C13 C15 162.9(2) . . . . ?
C16 P1 C13 C15 47.5(2) . . . . ?
Pt1 P1 C13 C15 -77.9(2) . . . . ?
C6 P1 C16 C17 -53.2(2) . . . . ?
C13 P1 C16 C17 57.5(2) . . . . ?
Pt1 P1 C16 C17 -177.82(18) . . . . ?
C6 P1 C16 C18 73.2(2) . . . . ?
C13 P1 C16 C18 -176.17(18) . . . . ?
Pt1 P1 C16 C18 -51.5(2) . . . . ?
C12 P2 C19 C21 -163.1(2) . . . . ?
C22 P2 C19 C21 -49.0(2) . . . . ?
Pt1 P2 C19 C21 78.0(2) . . . . ?
C12 P2 C19 C20 70.9(2) . . . . ?
C22 P2 C19 C20 -175.0(2) . . . . ?
Pt1 P2 C19 C20 -48.0(2) . . . . ?
C12 P2 C22 C24 -70.0(2) . . . . ?
C19 P2 C22 C24 178.7(2) . . . . ?
Pt1 P2 C22 C24 52.2(2) . . . . ?
C12 P2 C22 C23 56.1(2) . . . . ?
C19 P2 C22 C23 -55.1(2) . . . . ?
Pt1 P2 C22 C23 178.34(17) . . . . ?
P2 Pt1 C25 O2 -95(3) . . . . ?
P1 Pt1 C25 O2 93(3) . . . . ?
Si1 Pt1 C25 O2 6(3) . . . . ?
C43 B1 C31 C36 125.7(3) . . . . ?
C37 B1 C31 C36 9.6(4) . . . . ?
C49 B1 C31 C36 -112.8(3) . . . . ?
C43 B1 C31 C32 -62.1(3) . . . . ?
C37 B1 C31 C32 -178.1(2) . . . . ?
C49 B1 C31 C32 59.4(3) . . . . ?
C36 C31 C32 F1 179.2(2) . . . . ?
B1 C31 C32 F1 5.8(3) . . . . ?
C36 C31 C32 C33 1.1(4) . . . . ?
B1 C31 C32 C33 -172.3(2) . . . . ?
F1 C32 C33 F2 -1.7(4) . . . . ?
C31 C32 C33 F2 176.5(2) . . . . ?
F1 C32 C33 C34 180.0(2) . . . . ?
C31 C32 C33 C34 -1.9(4) . . . . ?
F2 C33 C34 F3 -0.8(4) . . . . ?
C32 C33 C34 F3 177.6(2) . . . . ?
F2 C33 C34 C35 -177.9(2) . . . . ?
C32 C33 C34 C35 0.5(4) . . . . ?
F3 C34 C35 F4 2.9(4) . . . . ?
C33 C34 C35 F4 179.9(2) . . . . ?
F3 C34 C35 C36 -175.6(2) . . . . ?
C33 C34 C35 C36 1.5(4) . . . . ?
C32 C31 C36 F5 -176.7(2) . . . . ?
B1 C31 C36 F5 -4.1(4) . . . . ?
C32 C31 C36 C35 1.1(4) . . . . ?
B1 C31 C36 C35 173.6(2) . . . . ?
F4 C35 C36 F5 -2.9(4) . . . . ?
C34 C35 C36 F5 175.5(2) . . . . ?
F4 C35 C36 C31 179.2(2) . . . . ?
C34 C35 C36 C31 -2.3(4) . . . . ?
C43 B1 C37 C42 108.3(3) . . . . ?
C49 B1 C37 C42 -13.0(4) . . . . ?
C31 B1 C37 C42 -128.5(3) . . . . ?
C43 B1 C37 C38 -64.5(3) . . . . ?
C49 B1 C37 C38 174.2(2) . . . . ?
C31 B1 C37 C38 58.6(3) . . . . ?
C42 C37 C38 F6 -177.6(2) . . . . ?
B1 C37 C38 F6 -3.8(4) . . . . ?
C42 C37 C38 C39 2.4(4) . . . . ?
B1 C37 C38 C39 176.2(3) . . . . ?
F6 C38 C39 F7 -1.2(4) . . . . ?
C37 C38 C39 F7 178.7(3) . . . . ?
F6 C38 C39 C40 178.8(3) . . . . ?
C37 C38 C39 C40 -1.2(5) . . . . ?
F7 C39 C40 F8 0.6(4) . . . . ?
C38 C39 C40 F8 -179.4(3) . . . . ?
F7 C39 C40 C41 179.6(3) . . . . ?
C38 C39 C40 C41 -0.4(4) . . . . ?
F8 C40 C41 F9 -0.3(4) . . . . ?
C39 C40 C41 F9 -179.3(3) . . . . ?
F8 C40 C41 C42 179.6(3) . . . . ?
C39 C40 C41 C42 0.6(4) . . . . ?
F9 C41 C42 F10 1.0(4) . . . . ?
C40 C41 C42 F10 -178.9(2) . . . . ?
F9 C41 C42 C37 -179.3(2) . . . . ?
C40 C41 C42 C37 0.8(4) . . . . ?
C38 C37 C42 F10 177.5(2) . . . . ?
B1 C37 C42 F10 4.3(4) . . . . ?
C38 C37 C42 C41 -2.2(4) . . . . ?
B1 C37 C42 C41 -175.4(3) . . . . ?
C37 B1 C43 C44 110.1(3) . . . . ?
C49 B1 C43 C44 -127.9(3) . . . . ?
C31 B1 C43 C44 -12.6(4) . . . . ?
C37 B1 C43 C48 -63.3(3) . . . . ?
C49 B1 C43 C48 58.7(3) . . . . ?
C31 B1 C43 C48 173.9(2) . . . . ?
C48 C43 C44 F11 178.1(2) . . . . ?
B1 C43 C44 F11 4.4(4) . . . . ?
C48 C43 C44 C45 -0.3(4) . . . . ?
B1 C43 C44 C45 -174.1(2) . . . . ?
F11 C44 C45 F12 -1.2(3) . . . . ?
C43 C44 C45 F12 177.3(2) . . . . ?
F11 C44 C45 C46 -178.8(2) . . . . ?
C43 C44 C45 C46 -0.3(4) . . . . ?
F12 C45 C46 F13 0.1(4) . . . . ?
C44 C45 C46 F13 177.8(2) . . . . ?
F12 C45 C46 C47 -177.2(2) . . . . ?
C44 C45 C46 C47 0.5(4) . . . . ?
F13 C46 C47 F14 1.8(4) . . . . ?
C45 C46 C47 F14 179.1(2) . . . . ?
F13 C46 C47 C48 -177.3(2) . . . . ?
C45 C46 C47 C48 0.0(4) . . . . ?
F14 C47 C48 F15 0.3(4) . . . . ?
C46 C47 C48 F15 179.4(2) . . . . ?
F14 C47 C48 C43 -179.8(2) . . . . ?
C46 C47 C48 C43 -0.7(4) . . . . ?
C44 C43 C48 F15 -179.3(2) . . . . ?
B1 C43 C48 F15 -4.9(3) . . . . ?
C44 C43 C48 C47 0.8(4) . . . . ?
B1 C43 C48 C47 175.2(2) . . . . ?
C43 B1 C49 C50 16.3(3) . . . . ?
C37 B1 C49 C50 131.3(2) . . . . ?
C31 B1 C49 C50 -106.3(3) . . . . ?
C43 B1 C49 C54 -172.3(2) . . . . ?
C37 B1 C49 C54 -57.3(3) . . . . ?
C31 B1 C49 C54 65.1(3) . . . . ?
C54 C49 C50 F16 -178.1(2) . . . . ?
B1 C49 C50 F16 -6.3(4) . . . . ?
C54 C49 C50 C51 0.2(3) . . . . ?
B1 C49 C50 C51 172.1(2) . . . . ?
F16 C50 C51 F17 -1.1(3) . . . . ?
C49 C50 C51 F17 -179.6(2) . . . . ?
F16 C50 C51 C52 178.7(2) . . . . ?
C49 C50 C51 C52 0.3(4) . . . . ?
F17 C51 C52 F18 -0.4(4) . . . . ?
C50 C51 C52 F18 179.8(2) . . . . ?
F17 C51 C52 C53 -179.8(2) . . . . ?
C50 C51 C52 C53 0.4(4) . . . . ?
F18 C52 C53 F19 0.1(4) . . . . ?
C51 C52 C53 F19 179.4(2) . . . . ?
F18 C52 C53 C54 179.1(2) . . . . ?
C51 C52 C53 C54 -1.5(4) . . . . ?
F19 C53 C54 F20 2.1(3) . . . . ?
C52 C53 C54 F20 -177.0(2) . . . . ?
F19 C53 C54 C49 -178.8(2) . . . . ?
C52 C53 C54 C49 2.1(4) . . . . ?
C50 C49 C54 F20 177.7(2) . . . . ?
B1 C49 C54 F20 5.2(3) . . . . ?
C50 C49 C54 C53 -1.4(3) . . . . ?
B1 C49 C54 C53 -173.9(2) . . . . ?
