#------------------------------------------------------------------------------
#$Date: 2023-02-22 11:14:10 +0200 (Wed, 22 Feb 2023) $
#$Revision: 281086 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/23/7712362.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_7712362
loop_
_publ_author_name
'Hädinger, Pauline'
'Hinz, Alexander'
_publ_section_title
;
 Reactivity of Pt(0) bromosilylene complexes towards ethylene
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              2214
_journal_page_last               2218
_journal_paper_doi               10.1039/D3DT00170A
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C81 H122 Br N P2 Pt Si, 2 (C7 H16)'
_chemical_formula_sum            'C95 H154 Br N P2 Pt Si'
_chemical_formula_weight         1675.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-12-02 deposited with the CCDC.	2023-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                106.144(5)
_cell_angle_beta                 109.170(5)
_cell_angle_gamma                90.351(5)
_cell_formula_units_Z            2
_cell_length_a                   15.2690(10)
_cell_length_b                   15.7982(9)
_cell_length_c                   22.2137(14)
_cell_measurement_reflns_used    98186
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.04
_cell_measurement_theta_min      1.85
_cell_volume                     4833.6(6)
_computing_cell_refinement
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_collection
;
X-Area Pilatus3_SV 1.31.150.0 (STOE, 2018)
;
_computing_data_reduction
;
X-Area Integrate 1.73.1.0 (STOE, 2018)
X-Area LANA 1.73.2.0 (STOE, 2018)
;
_computing_publication_material
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.84, Darmstadt 2018
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 Pilatus200K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 200K'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      ' 1062 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            53174
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.299
_diffrn_reflns_theta_min         1.851
_diffrn_source                   'Mo Genix 3D HF'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    1.950
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE LANA, absorption correction by scaling of reflection intensities.
J. Koziskova, F. Hahn, J. Richter, J. Kozisek, "Comparison of different
absorption corrections on the model structure of tetrakis(μ₂-acetato)-
diaqua-di-copper(II)", Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136 - 140.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_description       plate
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         4.597
_refine_diff_density_min         -2.054
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     915
_refine_ls_number_reflns         17578
_refine_ls_number_restraints     336
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0442P)²+89.9123P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1925
_refine_ls_wR_factor_ref         0.1999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15225
_reflns_number_total             17578
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00170a2.cif
_cod_data_source_block           ph184_2_sq
_cod_original_cell_volume        4833.6(5)
_cod_database_code               7712362
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.720
_shelx_estimated_absorpt_t_max   0.892
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.38293(3) 0.25347(2) 0.65727(2) 0.02014(11) Uani 1 1 d . . . . .
Br1 Br 0.62228(6) 0.48849(6) 0.66791(4) 0.0233(2) Uani 1 1 d . . . . .
P1 P 0.21910(17) 0.24479(15) 0.61712(12) 0.0247(5) Uani 1 1 d . . . . .
P2 P 0.42766(17) 0.12573(14) 0.68727(11) 0.0224(5) Uani 1 1 d . . . . .
Si1 Si 0.51996(17) 0.48336(15) 0.71971(11) 0.0182(5) Uani 1 1 d . . . . .
N1 N 0.5370(5) 0.5847(5) 0.7847(3) 0.0178(15) Uani 1 1 d . . . . .
C1 C 0.5247(6) 0.3005(6) 0.7000(4) 0.0230(19) Uani 1 1 d . . . . .
H1A H 0.560298 0.256382 0.719177 0.028 Uiso 1 1 calc R U . . .
H1B H 0.547979 0.308871 0.665173 0.028 Uiso 1 1 calc R U . . .
C2 C 0.5405(6) 0.3902(5) 0.7559(4) 0.0217(18) Uani 1 1 d . . . . .
H2A H 0.605144 0.398825 0.787690 0.026 Uiso 1 1 calc R U . . .
H2B H 0.497444 0.388810 0.780681 0.026 Uiso 1 1 calc R U . . .
C3 C 0.3796(7) 0.3582(6) 0.6135(4) 0.0236(19) Uani 1 1 d . . . . .
H3A H 0.421581 0.344821 0.587087 0.028 Uiso 1 1 calc R U . . .
H3B H 0.315723 0.352333 0.581068 0.028 Uiso 1 1 calc R U . . .
C4 C 0.4038(6) 0.4568(5) 0.6534(4) 0.0203(18) Uani 1 1 d . . . . .
H4A H 0.355856 0.475570 0.674002 0.024 Uiso 1 1 calc R U . . .
H4B H 0.401212 0.491669 0.622170 0.024 Uiso 1 1 calc R U . . .
C5 C 0.5879(6) 0.5811(6) 0.8509(4) 0.0204(18) Uani 1 1 d . . . . .
C6 C 0.6727(6) 0.5497(5) 0.8765(4) 0.0197(18) Uani 1 1 d . . . . .
C7 C 0.6983(6) 0.5446(6) 0.9412(4) 0.0242(19) Uani 1 1 d . . . . .
H7 H 0.754736 0.520427 0.958432 0.029 Uiso 1 1 calc R U . . .
C8 C 0.6452(6) 0.5734(6) 0.9828(4) 0.025(2) Uani 1 1 d . . . . .
C9 C 0.5688(6) 0.6140(6) 0.9591(4) 0.0224(19) Uani 1 1 d . . . . .
H9 H 0.535348 0.640006 0.987693 0.027 Uiso 1 1 calc R U . . .
C10 C 0.5383(6) 0.6184(5) 0.8936(4) 0.0206(18) Uani 1 1 d . . . . .
C11 C 0.4619(6) 0.6569(6) 0.8570(4) 0.0195(17) Uani 1 1 d . . . . .
C12 C 0.3984(6) 0.7088(5) 0.8769(4) 0.0199(18) Uani 1 1 d . . . . .
H12 H 0.399275 0.721597 0.921523 0.024 Uiso 1 1 calc R U . . .
C13 C 0.3334(6) 0.7424(6) 0.8320(4) 0.0222(19) Uani 1 1 d . . . . .
C14 C 0.3358(6) 0.7219(5) 0.7680(4) 0.0221(19) Uani 1 1 d . . . . .
H14 H 0.290367 0.744195 0.737066 0.027 Uiso 1 1 calc R U . . .
C15 C 0.3990(6) 0.6713(5) 0.7448(4) 0.0190(17) Uani 1 1 d . . . . .
C16 C 0.4627(6) 0.6366(5) 0.7909(4) 0.0188(17) Uani 1 1 d . . . . .
C17 C 0.7408(6) 0.5312(6) 0.8408(4) 0.0201(18) Uani 1 1 d . . . . .
C18 C 0.7748(6) 0.5992(6) 0.8241(4) 0.0232(19) Uani 1 1 d . . . . .
H18 H 0.750243 0.654718 0.832237 0.028 Uiso 1 1 calc R U . . .
C19 C 0.8439(6) 0.5887(6) 0.7956(4) 0.0238(19) Uani 1 1 d . . . . .
C20 C 0.8744(7) 0.5058(7) 0.7813(5) 0.029(2) Uani 1 1 d . . . . .
H20 H 0.920407 0.496900 0.760507 0.035 Uiso 1 1 calc R U . . .
C21 C 0.8408(6) 0.4349(6) 0.7960(4) 0.0251(19) Uani 1 1 d . . . . .
C22 C 0.7760(6) 0.4501(6) 0.8277(4) 0.0206(18) Uani 1 1 d . . . . .
H22 H 0.755017 0.403821 0.840903 0.025 Uiso 1 1 calc R U . . .
C23 C 0.8820(8) 0.6635(7) 0.7764(5) 0.035(2) Uani 1 1 d . . . . .
C24 C 0.8348(8) 0.7486(7) 0.7928(6) 0.041(3) Uani 1 1 d . . . . .
H24A H 0.862115 0.795188 0.780898 0.061 Uiso 1 1 calc R U . . .
H24B H 0.844374 0.768239 0.840587 0.061 Uiso 1 1 calc R U . . .
H24C H 0.767809 0.736654 0.767221 0.061 Uiso 1 1 calc R U . . .
C25 C 0.8638(10) 0.6350(8) 0.7015(6) 0.053(3) Uani 1 1 d . . . . .
H25A H 0.796516 0.621814 0.677260 0.079 Uiso 1 1 calc R U . . .
H25B H 0.894751 0.581863 0.689619 0.079 Uiso 1 1 calc R U . . .
H25C H 0.888407 0.682882 0.689464 0.079 Uiso 1 1 calc R U . . .
C26 C 0.9864(8) 0.6842(8) 0.8164(7) 0.054(3) Uani 1 1 d . . . . .
H26A H 1.017393 0.630396 0.807237 0.080 Uiso 1 1 calc R U . . .
H26B H 0.995677 0.705491 0.864134 0.080 Uiso 1 1 calc R U . . .
H26C H 1.012989 0.730043 0.803449 0.080 Uiso 1 1 calc R U . . .
C27 C 0.8737(7) 0.3439(6) 0.7754(5) 0.028(2) Uani 1 1 d . . . . .
C28 C 0.8430(8) 0.3121(7) 0.6998(5) 0.037(2) Uani 1 1 d . . . . .
H28A H 0.859173 0.251699 0.685356 0.056 Uiso 1 1 calc R U . . .
H28B H 0.874567 0.351535 0.684385 0.056 Uiso 1 1 calc R U . . .
H28C H 0.775344 0.312682 0.680818 0.056 Uiso 1 1 calc R U . . .
C29 C 0.9802(7) 0.3497(7) 0.8056(6) 0.041(3) Uani 1 1 d . . . . .
H29A H 1.000611 0.290970 0.791788 0.061 Uiso 1 1 calc R U . . .
H29B H 0.999559 0.370710 0.854375 0.061 Uiso 1 1 calc R U . . .
H29C H 1.008527 0.391186 0.789893 0.061 Uiso 1 1 calc R U . . .
C30 C 0.8306(8) 0.2743(7) 0.7973(6) 0.037(2) Uani 1 1 d . . . . .
H30A H 0.762530 0.268906 0.777424 0.056 Uiso 1 1 calc R U . . .
H30B H 0.848973 0.292921 0.846057 0.056 Uiso 1 1 calc R U . . .
H30C H 0.853058 0.216942 0.782362 0.056 Uiso 1 1 calc R U . . .
C31 C 0.6784(7) 0.5589(7) 1.0514(5) 0.034(2) Uani 1 1 d . . . . .
C32 C 0.7713(8) 0.6101(11) 1.0932(5) 0.061(4) Uani 1 1 d . . . . .
H32A H 0.816882 0.590562 1.071115 0.091 Uiso 1 1 calc R U . . .
H32B H 0.791697 0.599796 1.136976 0.091 Uiso 1 1 calc R U . . .
H32C H 0.766435 0.673433 1.098790 0.091 Uiso 1 1 calc R U . . .
C33 C 0.6088(7) 0.5861(7) 1.0875(5) 0.033(2) Uani 1 1 d . . . . .
H33A H 0.609649 0.650763 1.100451 0.049 Uiso 1 1 calc R U . . .
H33B H 0.626104 0.566128 1.127433 0.049 Uiso 1 1 calc R U . . .
H33C H 0.546106 0.558884 1.057713 0.049 Uiso 1 1 calc R U . . .
C34 C 0.6870(10) 0.4598(8) 1.0435(6) 0.051(3) Uani 1 1 d . . . . .
H34A H 0.626397 0.425671 1.015847 0.077 Uiso 1 1 calc R U . . .
H34B H 0.706915 0.450245 1.087501 0.077 Uiso 1 1 calc R U . . .
H34C H 0.733135 0.440412 1.021972 0.077 Uiso 1 1 calc R U . . .
C35 C 0.2684(7) 0.8066(7) 0.8546(5) 0.031(2) Uani 1 1 d . . . . .
C36 C 0.3237(9) 0.8963(8) 0.8960(8) 0.064(4) Uani 1 1 d . . . . .
H36A H 0.343598 0.923354 0.867270 0.096 Uiso 1 1 calc R U . . .
H36B H 0.378600 0.888418 0.931409 0.096 Uiso 1 1 calc R U . . .
H36C H 0.284315 0.935015 0.916022 0.096 Uiso 1 1 calc R U . . .
C37 C 0.2276(8) 0.7699(9) 0.8981(6) 0.043(3) Uani 1 1 d . . . . .
H37A H 0.196883 0.709757 0.873071 0.065 Uiso 1 1 calc R U . . .
H37B H 0.181931 0.808079 0.910216 0.065 Uiso 1 1 calc R U . . .
H37C H 0.277809 0.768350 0.938687 0.065 Uiso 1 1 calc R U . . .
C38 C 0.1859(8) 0.8174(8) 0.7968(5) 0.041(3) Uani 1 1 d . . . . .
H38A H 0.208874 0.835678 0.765471 0.062 Uiso 1 1 calc R U . . .
H38B H 0.149373 0.862612 0.813993 0.062 Uiso 1 1 calc R U . . .
H38C H 0.146414 0.760836 0.773679 0.062 Uiso 1 1 calc R U . . .
C39 C 0.3917(6) 0.6588(5) 0.6746(4) 0.0189(18) Uani 1 1 d . . . . .
C40 C 0.3059(6) 0.6316(5) 0.6251(4) 0.0187(17) Uani 1 1 d . . . . .
H40 H 0.253129 0.621398 0.636856 0.022 Uiso 1 1 calc R U . . .
C41 C 0.2944(6) 0.6187(5) 0.5584(4) 0.0192(17) Uani 1 1 d . . . . .
C42 C 0.3720(6) 0.6376(6) 0.5434(4) 0.0230(19) Uani 1 1 d . . . . .
H42 H 0.365855 0.628595 0.498058 0.028 Uiso 1 1 calc R U . . .
C43 C 0.4600(6) 0.6699(5) 0.5932(4) 0.0198(18) Uani 1 1 d . . . . .
C44 C 0.4681(6) 0.6775(5) 0.6589(4) 0.0210(18) Uani 1 1 d . . . . .
H44 H 0.527190 0.695870 0.693232 0.025 Uiso 1 1 calc R U . . .
C45 C 0.2011(6) 0.5775(6) 0.5031(4) 0.0249(19) Uani 1 1 d . . . . .
C46 C 0.1988(8) 0.4776(7) 0.4841(6) 0.049(3) Uani 1 1 d . . . . .
H46A H 0.139675 0.450834 0.448426 0.074 Uiso 1 1 calc R U . . .
H46B H 0.204478 0.457628 0.523051 0.074 Uiso 1 1 calc R U . . .
H46C H 0.250740 0.459656 0.468357 0.074 Uiso 1 1 calc R U . . .
C47 C 0.1186(8) 0.6032(8) 0.5273(5) 0.040(3) Uani 1 1 d . . . . .
H47A H 0.060025 0.575784 0.491318 0.060 Uiso 1 1 calc R U . . .
H47B H 0.118826 0.667780 0.540052 0.060 Uiso 1 1 calc R U . . .
H47C H 0.124541 0.582347 0.565964 0.060 Uiso 1 1 calc R U . . .
C48 C 0.1878(7) 0.6096(8) 0.4422(5) 0.042(3) Uani 1 1 d . . . . .
H48A H 0.241253 0.597417 0.427192 0.063 Uiso 1 1 calc R U . . .
H48B H 0.182851 0.673511 0.454094 0.063 Uiso 1 1 calc R U . . .
H48C H 0.130587 0.578498 0.406225 0.063 Uiso 1 1 calc R U . . .
C49 C 0.5411(6) 0.6942(6) 0.5733(4) 0.0224(18) Uani 1 1 d . . . . .
C50 C 0.5123(8) 0.7605(6) 0.5328(5) 0.033(2) Uani 1 1 d . . . . .
H50A H 0.563482 0.774720 0.518654 0.049 Uiso 1 1 calc R U . . .
H50B H 0.497986 0.814778 0.560610 0.049 Uiso 1 1 calc R U . . .
H50C H 0.456919 0.734147 0.493437 0.049 Uiso 1 1 calc R U . . .
C51 C 0.6278(7) 0.7361(7) 0.6340(5) 0.034(2) Uani 1 1 d . . . . .
H51A H 0.676775 0.754433 0.619279 0.052 Uiso 1 1 calc R U . . .
H51B H 0.649958 0.692823 0.658252 0.052 Uiso 1 1 calc R U . . .
H51C H 0.612328 0.787976 0.663407 0.052 Uiso 1 1 calc R U . . .
C52 C 0.5684(7) 0.6095(7) 0.5302(5) 0.030(2) Uani 1 1 d . . . . .
H52A H 0.513343 0.579273 0.491737 0.046 Uiso 1 1 calc R U . . .
H52B H 0.592027 0.569574 0.557215 0.046 Uiso 1 1 calc R U . . .
H52C H 0.616831 0.626538 0.514488 0.046 Uiso 1 1 calc R U . . .
C53 C 0.1903(6) 0.3575(6) 0.6536(4) 0.0225(19) Uani 1 1 d . . . . .
H53 H 0.205630 0.395720 0.628573 0.027 Uiso 1 1 calc R U . . .
C54 C 0.2551(7) 0.3970(6) 0.7274(4) 0.0236(19) Uani 1 1 d . . . . .
H54A H 0.238999 0.364964 0.755423 0.028 Uiso 1 1 calc R U . . .
H54B H 0.320790 0.389661 0.730816 0.028 Uiso 1 1 calc R U . . .
C55 C 0.2441(7) 0.4954(6) 0.7523(4) 0.0246(19) Uani 1 1 d . . . . .
H55A H 0.284869 0.519413 0.799590 0.029 Uiso 1 1 calc R U . . .
H55B H 0.264933 0.527546 0.726173 0.029 Uiso 1 1 calc R U . . .
C56 C 0.1450(7) 0.5120(6) 0.7467(5) 0.030(2) Uani 1 1 d . . . . .
H56A H 0.140649 0.576585 0.760330 0.036 Uiso 1 1 calc R U . . .
H56B H 0.126147 0.486164 0.776987 0.036 Uiso 1 1 calc R U . . .
C57 C 0.0792(7) 0.4702(6) 0.6747(5) 0.028(2) Uani 1 1 d . . . . .
H57A H 0.093664 0.500724 0.645119 0.034 Uiso 1 1 calc R U . . .
H57B H 0.013948 0.477763 0.672156 0.034 Uiso 1 1 calc R U . . .
C58 C 0.0903(7) 0.3704(6) 0.6507(5) 0.027(2) Uani 1 1 d . . . . .
H58A H 0.073908 0.339528 0.679338 0.033 Uiso 1 1 calc R U . . .
H58B H 0.047156 0.344133 0.604320 0.033 Uiso 1 1 calc R U . . .
C59 C 0.1741(11) 0.2335(9) 0.5230(7) 0.026(2) Uani 0.597(10) 1 d D U P A 1
H59 H 0.223612 0.267550 0.516141 0.031 Uiso 0.597(10) 1 calc R U P A 1
C60 C 0.0846(11) 0.2720(11) 0.4938(7) 0.025(3) Uani 0.597(10) 1 d D U P A 1
H60A H 0.090927 0.335842 0.518045 0.030 Uiso 0.597(10) 1 calc R U P A 1
H60B H 0.032585 0.242310 0.500302 0.030 Uiso 0.597(10) 1 calc R U P A 1
C61 C 0.0614(11) 0.2607(10) 0.4197(7) 0.029(2) Uani 0.597(10) 1 d D U P A 1
H61A H 0.000612 0.283194 0.402498 0.034 Uiso 0.597(10) 1 calc R U P A 1
H61B H 0.109387 0.296879 0.413801 0.034 Uiso 0.597(10) 1 calc R U P A 1
C62 C 0.0568(12) 0.1662(9) 0.3797(7) 0.028(2) Uani 0.597(10) 1 d D U P A 1
H62A H 0.004111 0.130833 0.381109 0.034 Uiso 0.597(10) 1 calc R U P A 1
H62B H 0.045615 0.162907 0.332572 0.034 Uiso 0.597(10) 1 calc R U P A 1
C63 C 0.1446(12) 0.1291(11) 0.4065(7) 0.031(2) Uani 0.597(10) 1 d D U P A 1
H63A H 0.195450 0.160506 0.399996 0.037 Uiso 0.597(10) 1 calc R U P A 1
H63B H 0.138505 0.065906 0.380525 0.037 Uiso 0.597(10) 1 calc R U P A 1
C64 C 0.1719(11) 0.1357(9) 0.4810(7) 0.027(2) Uani 0.597(10) 1 d D U P A 1
H64A H 0.234154 0.115034 0.496576 0.033 Uiso 0.597(10) 1 calc R U P A 1
H64B H 0.126341 0.097149 0.487236 0.033 Uiso 0.597(10) 1 calc R U P A 1
C59B C 0.1580(14) 0.2036(17) 0.5303(9) 0.025(3) Uani 0.403(10) 1 d D U P A 2
H59B H 0.132312 0.141597 0.522499 0.030 Uiso 0.403(10) 1 calc R U P A 2
C60B C 0.0759(15) 0.2478(16) 0.4965(9) 0.027(3) Uani 0.403(10) 1 d D U P A 2
H60C H 0.097585 0.309713 0.502321 0.032 Uiso 0.403(10) 1 calc R U P A 2
H60D H 0.028822 0.249536 0.518495 0.032 Uiso 0.403(10) 1 calc R U P A 2
C61B C 0.0307(14) 0.1999(15) 0.4224(9) 0.027(2) Uani 0.403(10) 1 d D U P A 2
H61C H 0.001126 0.140875 0.416735 0.033 Uiso 0.403(10) 1 calc R U P A 2
H61D H -0.018963 0.233896 0.402233 0.033 Uiso 0.403(10) 1 calc R U P A 2
C62B C 0.0994(15) 0.1884(16) 0.3864(10) 0.029(3) Uani 0.403(10) 1 d D U P A 2
H62C H 0.067863 0.152726 0.339372 0.034 Uiso 0.403(10) 1 calc R U P A 2
H62D H 0.122681 0.247150 0.386711 0.034 Uiso 0.403(10) 1 calc R U P A 2
C63B C 0.1786(16) 0.1440(15) 0.4179(9) 0.027(3) Uani 0.403(10) 1 d D U P A 2
H63C H 0.223611 0.139166 0.393866 0.032 Uiso 0.403(10) 1 calc R U P A 2
H63D H 0.155863 0.083256 0.414019 0.032 Uiso 0.403(10) 1 calc R U P A 2
C64B C 0.2286(14) 0.1948(15) 0.4920(9) 0.027(3) Uani 0.403(10) 1 d D U P A 2
H64C H 0.254774 0.254425 0.496053 0.033 Uiso 0.403(10) 1 calc R U P A 2
H64D H 0.280642 0.162707 0.511669 0.033 Uiso 0.403(10) 1 calc R U P A 2
C65 C 0.1463(7) 0.1647(6) 0.6334(6) 0.036(2) Uani 1 1 d . . . . .
H65 H 0.168475 0.105980 0.617356 0.044 Uiso 1 1 calc R U . . .
C66 C 0.0400(8) 0.1491(7) 0.5985(7) 0.049(3) Uani 1 1 d . . . . .
H66A H 0.011450 0.203294 0.613987 0.059 Uiso 1 1 calc R U . . .
H66B H 0.024378 0.135066 0.549615 0.059 Uiso 1 1 calc R U . . .
C67 C 0.0017(8) 0.0718(7) 0.6150(8) 0.055(4) Uani 1 1 d . . . . .
H67A H -0.067110 0.063611 0.594442 0.066 Uiso 1 1 calc R U . . .
H67B H 0.025661 0.016852 0.595068 0.066 Uiso 1 1 calc R U . . .
C68 C 0.0280(8) 0.0856(8) 0.6890(8) 0.058(4) Uani 1 1 d . . . . .
H68A H 0.004552 0.032168 0.696384 0.069 Uiso 1 1 calc R U . . .
H68B H -0.002337 0.136230 0.708220 0.069 Uiso 1 1 calc R U . . .
C69 C 0.1330(8) 0.1038(7) 0.7248(7) 0.049(3) Uani 1 1 d . . . . .
H69A H 0.162901 0.050013 0.710575 0.058 Uiso 1 1 calc R U . . .
H69B H 0.147048 0.118510 0.773557 0.058 Uiso 1 1 calc R U . . .
C70 C 0.1722(7) 0.1809(7) 0.7087(6) 0.041(3) Uani 1 1 d . . . . .
H70A H 0.147732 0.235996 0.727760 0.049 Uiso 1 1 calc R U . . .
H70B H 0.240971 0.189277 0.729766 0.049 Uiso 1 1 calc R U . . .
C71 C 0.3383(7) 0.0281(5) 0.6516(5) 0.025(2) Uani 1 1 d . . . . .
H71 H 0.281482 0.050343 0.660961 0.030 Uiso 1 1 calc R U . . .
C72 C 0.3104(8) -0.0032(6) 0.5755(5) 0.037(2) Uani 1 1 d . . . . .
H72A H 0.297649 0.048583 0.558254 0.045 Uiso 1 1 calc R U . . .
H72B H 0.362977 -0.029888 0.563280 0.045 Uiso 1 1 calc R U . . .
C73 C 0.2249(9) -0.0704(7) 0.5432(6) 0.049(3) Uani 1 1 d . . . . .
H73A H 0.170932 -0.042055 0.551981 0.059 Uiso 1 1 calc R U . . .
H73B H 0.210598 -0.090259 0.494257 0.059 Uiso 1 1 calc R U . . .
C74 C 0.2388(10) -0.1498(7) 0.5691(7) 0.052(3) Uani 1 1 d . . . . .
H74A H 0.179812 -0.189493 0.550104 0.063 Uiso 1 1 calc R U . . .
H74B H 0.286783 -0.183221 0.554814 0.063 Uiso 1 1 calc R U . . .
C75 C 0.2686(9) -0.1216(7) 0.6430(6) 0.046(3) Uani 1 1 d . . . . .
H75A H 0.281133 -0.174622 0.658750 0.055 Uiso 1 1 calc R U . . .
H75B H 0.216812 -0.095290 0.656545 0.055 Uiso 1 1 calc R U . . .
C76 C 0.3567(8) -0.0536(6) 0.6779(5) 0.033(2) Uani 1 1 d . . . . .
H76A H 0.410760 -0.080774 0.668230 0.039 Uiso 1 1 calc R U . . .
H76B H 0.371162 -0.035260 0.726790 0.039 Uiso 1 1 calc R U . . .
C77 C 0.4748(7) 0.1275(6) 0.7760(4) 0.0281(18) Uani 1 1 d . U . B 1
H77 H 0.484467 0.065758 0.778195 0.034 Uiso 1 1 calc R U . B 1
C78 C 0.4132(6) 0.1618(5) 0.8103(4) 0.02014(11) Uani 1 1 d . U . B 1
H78A H 0.348587 0.135804 0.782214 0.024 Uiso 1 1 calc R U . B 1
H78B H 0.415812 0.226856 0.818522 0.024 Uiso 1 1 calc R U . B 1
C79 C 0.4403(8) 0.1398(8) 0.8808(5) 0.042(2) Uani 1 1 d . U . B 1
H79A H 0.392759 0.156996 0.902057 0.051 Uiso 1 1 calc R U . B 1
H79B H 0.447111 0.076045 0.874829 0.051 Uiso 1 1 calc R U . B 1
C80 C 0.5324(8) 0.1959(8) 0.9214(5) 0.044(2) Uani 1 1 d . U . B 1
H80A H 0.522010 0.259184 0.928926 0.053 Uiso 1 1 calc R U . B 1
H80B H 0.556080 0.185159 0.965479 0.053 Uiso 1 1 calc R U . B 1
C81 C 0.6059(8) 0.1775(8) 0.8888(5) 0.040(2) Uani 1 1 d . U . B 1
H81A H 0.622821 0.116465 0.885991 0.048 Uiso 1 1 calc R U . B 1
H81B H 0.662732 0.219303 0.915985 0.048 Uiso 1 1 calc R U . B 1
C82 C 0.5674(7) 0.1884(7) 0.8177(5) 0.0326(18) Uani 1 1 d . U . B 1
H82A H 0.556396 0.250924 0.820944 0.039 Uiso 1 1 calc R U . B 1
H82B H 0.613831 0.172797 0.795180 0.039 Uiso 1 1 calc R U . B 1
C83 C 0.5283(7) 0.0930(6) 0.6595(4) 0.025(2) Uani 1 1 d . . . . .
H83 H 0.579819 0.140131 0.690525 0.030 Uiso 1 1 calc R U . . .
C84 C 0.5691(8) 0.0069(6) 0.6685(5) 0.034(2) Uani 1 1 d . . . . .
H84A H 0.575849 0.003199 0.713511 0.041 Uiso 1 1 calc R U . . .
H84B H 0.526490 -0.044822 0.635076 0.041 Uiso 1 1 calc R U . . .
C85 C 0.6634(8) 0.0058(7) 0.6597(5) 0.039(3) Uani 1 1 d . . . . .
H85A H 0.688162 -0.051055 0.663211 0.047 Uiso 1 1 calc R U . . .
H85B H 0.707231 0.054150 0.696148 0.047 Uiso 1 1 calc R U . . .
C86 C 0.6589(8) 0.0173(7) 0.5922(5) 0.039(3) Uani 1 1 d . . . . .
H86A H 0.722816 0.021592 0.590690 0.046 Uiso 1 1 calc R U . . .
H86B H 0.622713 -0.035437 0.555780 0.046 Uiso 1 1 calc R U . . .
C87 C 0.6136(7) 0.1001(7) 0.5815(5) 0.032(2) Uani 1 1 d . . . . .
H87A H 0.654758 0.153370 0.613690 0.039 Uiso 1 1 calc R U . . .
H87B H 0.605765 0.102214 0.535893 0.039 Uiso 1 1 calc R U . . .
C88 C 0.5191(7) 0.1008(6) 0.5904(5) 0.029(2) Uani 1 1 d . . . . .
H88A H 0.475922 0.050675 0.555427 0.034 Uiso 1 1 calc R U . . .
H88B H 0.492720 0.156523 0.585399 0.034 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 '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'
Br Br -0.2901 2.4595 '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
C1 Pt1 C3 81.7(4) . . ?
C1 Pt1 P2 86.0(3) . . ?
C3 Pt1 P2 159.1(3) . . ?
C1 Pt1 P1 163.4(2) . . ?
C3 Pt1 P1 86.0(3) . . ?
P2 Pt1 P1 108.96(9) . . ?
C59B P1 C53 112.0(8) . . ?
C59B P1 C65 90.9(8) . . ?
C53 P1 C65 106.9(4) . . ?
C53 P1 C59 102.0(5) . . ?
C65 P1 C59 109.0(6) . . ?
C59B P1 Pt1 119.4(6) . . ?
C53 P1 Pt1 105.5(3) . . ?
C65 P1 Pt1 121.4(3) . . ?
C59 P1 Pt1 110.1(5) . . ?
C77 P2 C71 101.0(4) . . ?
C77 P2 C83 101.5(4) . . ?
C71 P2 C83 107.8(4) . . ?
C77 P2 Pt1 121.4(3) . . ?
C71 P2 Pt1 116.9(3) . . ?
C83 P2 Pt1 106.8(3) . . ?
N1 Si1 C2 109.5(4) . . ?
N1 Si1 C4 116.1(4) . . ?
C2 Si1 C4 107.5(4) . . ?
N1 Si1 Br1 109.1(3) . . ?
C2 Si1 Br1 108.7(3) . . ?
C4 Si1 Br1 105.7(3) . . ?
C16 N1 C5 105.6(6) . . ?
C16 N1 Si1 122.4(6) . . ?
C5 N1 Si1 115.5(5) . . ?
C2 C1 Pt1 110.6(6) . . ?
C2 C1 H1A 109.5 . . ?
Pt1 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
H1A C1 H1B 108.1 . . ?
C1 C2 Si1 110.7(6) . . ?
C1 C2 H2A 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 Pt1 124.2(6) . . ?
C4 C3 H3A 106.3 . . ?
Pt1 C3 H3A 106.3 . . ?
C4 C3 H3B 106.3 . . ?
Pt1 C3 H3B 106.3 . . ?
H3A C3 H3B 106.4 . . ?
C3 C4 Si1 114.0(6) . . ?
C3 C4 H4A 108.7 . . ?
Si1 C4 H4A 108.7 . . ?
C3 C4 H4B 108.7 . . ?
Si1 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C6 C5 C10 119.5(8) . . ?
C6 C5 N1 131.2(8) . . ?
C10 C5 N1 109.2(7) . . ?
C7 C6 C5 117.6(8) . . ?
C7 C6 C17 119.0(8) . . ?
C5 C6 C17 123.0(7) . . ?
C6 C7 C8 123.4(8) . . ?
C6 C7 H7 118.3 . . ?
C8 C7 H7 118.3 . . ?
C9 C8 C7 117.3(8) . . ?
C9 C8 C31 124.6(8) . . ?
C7 C8 C31 118.1(8) . . ?
C8 C9 C10 121.3(8) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C9 C10 C5 119.9(8) . . ?
C9 C10 C11 132.5(8) . . ?
C5 C10 C11 107.6(7) . . ?
C12 C11 C16 121.5(8) . . ?
C12 C11 C10 131.2(8) . . ?
C16 C11 C10 107.2(7) . . ?
C11 C12 C13 120.0(8) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 117.3(8) . . ?
C14 C13 C35 121.7(8) . . ?
C12 C13 C35 120.7(8) . . ?
C13 C14 C15 125.8(8) . . ?
C13 C14 H14 117.1 . . ?
C15 C14 H14 117.1 . . ?
C14 C15 C16 115.7(8) . . ?
C14 C15 C39 117.5(8) . . ?
C16 C15 C39 126.8(8) . . ?
C15 C16 C11 119.7(8) . . ?
C15 C16 N1 130.6(7) . . ?
C11 C16 N1 109.7(7) . . ?
C18 C17 C22 118.7(8) . . ?
C18 C17 C6 118.6(8) . . ?
C22 C17 C6 122.6(8) . . ?
C17 C18 C19 121.7(8) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 H18 119.1 . . ?
C20 C19 C18 117.4(8) . . ?
C20 C19 C23 120.2(8) . . ?
C18 C19 C23 122.3(8) . . ?
C19 C20 C21 122.8(9) . . ?
C19 C20 H20 118.6 . . ?
C21 C20 H20 118.6 . . ?
C22 C21 C20 117.6(8) . . ?
C22 C21 C27 122.4(8) . . ?
C20 C21 C27 120.0(8) . . ?
C21 C22 C17 121.7(8) . . ?
C21 C22 H22 119.2 . . ?
C17 C22 H22 119.2 . . ?
C25 C23 C26 111.4(10) . . ?
C25 C23 C19 109.7(9) . . ?
C26 C23 C19 107.9(9) . . ?
C25 C23 C24 107.4(9) . . ?
C26 C23 C24 108.4(9) . . ?
C19 C23 C24 112.0(8) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C21 108.2(8) . . ?
C28 C27 C29 109.9(9) . . ?
C21 C27 C29 110.2(8) . . ?
C28 C27 C30 107.3(8) . . ?
C21 C27 C30 112.6(8) . . ?
C29 C27 C30 108.7(8) . . ?
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 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C8 110.6(9) . . ?
C32 C31 C33 109.3(9) . . ?
C8 C31 C33 111.5(8) . . ?
C32 C31 C34 108.9(10) . . ?
C8 C31 C34 109.4(8) . . ?
C33 C31 C34 107.1(9) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C13 C35 C36 109.4(8) . . ?
C13 C35 C38 113.1(8) . . ?
C36 C35 C38 110.0(10) . . ?
C13 C35 C37 108.5(8) . . ?
C36 C35 C37 109.1(10) . . ?
C38 C35 C37 106.7(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C44 119.9(8) . . ?
C40 C39 C15 119.0(8) . . ?
C44 C39 C15 121.1(8) . . ?
C39 C40 C41 121.7(8) . . ?
C39 C40 H40 119.1 . . ?
C41 C40 H40 119.1 . . ?
C42 C41 C40 117.6(8) . . ?
C42 C41 C45 121.2(8) . . ?
C40 C41 C45 121.0(8) . . ?
C41 C42 C43 122.3(8) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 H42 118.9 . . ?
C44 C43 C42 117.4(8) . . ?
C44 C43 C49 123.2(8) . . ?
C42 C43 C49 119.4(8) . . ?
C39 C44 C43 121.0(8) . . ?
C39 C44 H44 119.5 . . ?
C43 C44 H44 119.5 . . ?
C46 C45 C48 110.3(9) . . ?
C46 C45 C41 109.0(8) . . ?
C48 C45 C41 111.0(8) . . ?
C46 C45 C47 108.0(9) . . ?
C48 C45 C47 107.5(8) . . ?
C41 C45 C47 111.0(7) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C43 C49 C51 112.0(7) . . ?
C43 C49 C50 109.2(7) . . ?
C51 C49 C50 108.6(8) . . ?
C43 C49 C52 110.2(7) . . ?
C51 C49 C52 107.3(8) . . ?
C50 C49 C52 109.4(7) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C58 C53 C54 107.9(7) . . ?
C58 C53 P1 119.1(6) . . ?
C54 C53 P1 110.6(6) . . ?
C58 C53 H53 106.1 . . ?
C54 C53 H53 106.1 . . ?
P1 C53 H53 106.1 . . ?
C55 C54 C53 109.9(7) . . ?
C55 C54 H54A 109.7 . . ?
C53 C54 H54A 109.7 . . ?
C55 C54 H54B 109.7 . . ?
C53 C54 H54B 109.7 . . ?
H54A C54 H54B 108.2 . . ?
C56 C55 C54 112.7(8) . . ?
C56 C55 H55A 109.1 . . ?
C54 C55 H55A 109.1 . . ?
C56 C55 H55B 109.1 . . ?
C54 C55 H55B 109.1 . . ?
H55A C55 H55B 107.8 . . ?
C55 C56 C57 110.2(7) . . ?
C55 C56 H56A 109.6 . . ?
C57 C56 H56A 109.6 . . ?
C55 C56 H56B 109.6 . . ?
C57 C56 H56B 109.6 . . ?
H56A C56 H56B 108.1 . . ?
C56 C57 C58 110.4(8) . . ?
C56 C57 H57A 109.6 . . ?
C58 C57 H57A 109.6 . . ?
C56 C57 H57B 109.6 . . ?
C58 C57 H57B 109.6 . . ?
H57A C57 H57B 108.1 . . ?
C53 C58 C57 110.3(7) . . ?
C53 C58 H58A 109.6 . . ?
C57 C58 H58A 109.6 . . ?
C53 C58 H58B 109.6 . . ?
C57 C58 H58B 109.6 . . ?
H58A C58 H58B 108.1 . . ?
C60 C59 C64 110.9(11) . . ?
C60 C59 P1 119.1(10) . . ?
C64 C59 P1 110.7(10) . . ?
C60 C59 H59 104.9 . . ?
C64 C59 H59 104.9 . . ?
P1 C59 H59 104.9 . . ?
C59 C60 C61 112.3(12) . . ?
C59 C60 H60A 109.1 . . ?
C61 C60 H60A 109.1 . . ?
C59 C60 H60B 109.1 . . ?
C61 C60 H60B 109.1 . . ?
H60A C60 H60B 107.9 . . ?
C62 C61 C60 112.7(12) . . ?
C62 C61 H61A 109.0 . . ?
C60 C61 H61A 109.0 . . ?
C62 C61 H61B 109.0 . . ?
C60 C61 H61B 109.0 . . ?
H61A C61 H61B 107.8 . . ?
C63 C62 C61 110.4(13) . . ?
C63 C62 H62A 109.6 . . ?
C61 C62 H62A 109.6 . . ?
C63 C62 H62B 109.6 . . ?
C61 C62 H62B 109.6 . . ?
H62A C62 H62B 108.1 . . ?
C62 C63 C64 114.1(12) . . ?
C62 C63 H63A 108.7 . . ?
C64 C63 H63A 108.7 . . ?
C62 C63 H63B 108.7 . . ?
C64 C63 H63B 108.7 . . ?
H63A C63 H63B 107.6 . . ?
C63 C64 C59 110.3(12) . . ?
C63 C64 H64A 109.6 . . ?
C59 C64 H64A 109.6 . . ?
C63 C64 H64B 109.6 . . ?
C59 C64 H64B 109.6 . . ?
H64A C64 H64B 108.1 . . ?
C60B C59B C64B 108.7(16) . . ?
C60B C59B P1 120.9(14) . . ?
C64B C59B P1 109.6(13) . . ?
C60B C59B H59B 105.5 . . ?
C64B C59B H59B 105.5 . . ?
P1 C59B H59B 105.5 . . ?
C59B C60B C61B 112.5(15) . . ?
C59B C60B H60C 109.1 . . ?
C61B C60B H60C 109.1 . . ?
C59B C60B H60D 109.1 . . ?
C61B C60B H60D 109.1 . . ?
H60C C60B H60D 107.8 . . ?
C62B C61B C60B 112.3(16) . . ?
C62B C61B H61C 109.1 . . ?
C60B C61B H61C 109.1 . . ?
C62B C61B H61D 109.1 . . ?
C60B C61B H61D 109.1 . . ?
H61C C61B H61D 107.9 . . ?
C63B C62B C61B 111.3(16) . . ?
C63B C62B H62C 109.4 . . ?
C61B C62B H62C 109.4 . . ?
C63B C62B H62D 109.4 . . ?
C61B C62B H62D 109.4 . . ?
H62C C62B H62D 108.0 . . ?
C62B C63B C64B 111.8(15) . . ?
C62B C63B H63C 109.2 . . ?
C64B C63B H63C 109.2 . . ?
C62B C63B H63D 109.2 . . ?
C64B C63B H63D 109.2 . . ?
H63C C63B H63D 107.9 . . ?
C63B C64B C59B 109.7(16) . . ?
C63B C64B H64C 109.7 . . ?
C59B C64B H64C 109.7 . . ?
C63B C64B H64D 109.7 . . ?
C59B C64B H64D 109.7 . . ?
H64C C64B H64D 108.2 . . ?
C70 C65 C66 110.8(9) . . ?
C70 C65 P1 109.9(7) . . ?
C66 C65 P1 121.2(8) . . ?
C70 C65 H65 104.4 . . ?
C66 C65 H65 104.4 . . ?
P1 C65 H65 104.4 . . ?
C67 C66 C65 108.8(10) . . ?
C67 C66 H66A 109.9 . . ?
C65 C66 H66A 109.9 . . ?
C67 C66 H66B 109.9 . . ?
C65 C66 H66B 109.9 . . ?
H66A C66 H66B 108.3 . . ?
C68 C67 C66 113.1(10) . . ?
C68 C67 H67A 108.9 . . ?
C66 C67 H67A 108.9 . . ?
C68 C67 H67B 108.9 . . ?
C66 C67 H67B 108.9 . . ?
H67A C67 H67B 107.8 . . ?
C67 C68 C69 112.0(11) . . ?
C67 C68 H68A 109.2 . . ?
C69 C68 H68A 109.2 . . ?
C67 C68 H68B 109.2 . . ?
C69 C68 H68B 109.2 . . ?
H68A C68 H68B 107.9 . . ?
C68 C69 C70 110.2(10) . . ?
C68 C69 H69A 109.6 . . ?
C70 C69 H69A 109.6 . . ?
C68 C69 H69B 109.6 . . ?
C70 C69 H69B 109.6 . . ?
H69A C69 H69B 108.1 . . ?
C65 C70 C69 112.0(9) . . ?
C65 C70 H70A 109.2 . . ?
C69 C70 H70A 109.2 . . ?
C65 C70 H70B 109.2 . . ?
C69 C70 H70B 109.2 . . ?
H70A C70 H70B 107.9 . . ?
C72 C71 C76 108.7(8) . . ?
C72 C71 P2 109.9(6) . . ?
C76 C71 P2 119.9(7) . . ?
C72 C71 H71 105.8 . . ?
C76 C71 H71 105.8 . . ?
P2 C71 H71 105.8 . . ?
C73 C72 C71 111.9(9) . . ?
C73 C72 H72A 109.2 . . ?
C71 C72 H72A 109.2 . . ?
C73 C72 H72B 109.2 . . ?
C71 C72 H72B 109.2 . . ?
H72A C72 H72B 107.9 . . ?
C74 C73 C72 111.8(10) . . ?
C74 C73 H73A 109.3 . . ?
C72 C73 H73A 109.3 . . ?
C74 C73 H73B 109.3 . . ?
C72 C73 H73B 109.3 . . ?
H73A C73 H73B 107.9 . . ?
C75 C74 C73 110.6(9) . . ?
C75 C74 H74A 109.5 . . ?
C73 C74 H74A 109.5 . . ?
C75 C74 H74B 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 108.1 . . ?
C74 C75 C76 113.8(10) . . ?
C74 C75 H75A 108.8 . . ?
C76 C75 H75A 108.8 . . ?
C74 C75 H75B 108.8 . . ?
C76 C75 H75B 108.8 . . ?
H75A C75 H75B 107.7 . . ?
C75 C76 C71 108.8(8) . . ?
C75 C76 H76A 109.9 . . ?
C71 C76 H76A 109.9 . . ?
C75 C76 H76B 109.9 . . ?
C71 C76 H76B 109.9 . . ?
H76A C76 H76B 108.3 . . ?
C78 C77 C82 103.5(8) . . ?
C78 C77 P2 111.5(7) . . ?
C82 C77 P2 114.5(7) . . ?
C78 C77 H77 109.0 . . ?
C82 C77 H77 109.0 . . ?
P2 C77 H77 109.0 . . ?
C77 C78 C79 111.2(8) . . ?
C77 C78 H78A 109.4 . . ?
C79 C78 H78A 109.4 . . ?
C77 C78 H78B 109.4 . . ?
C79 C78 H78B 109.4 . . ?
H78A C78 H78B 108.0 . . ?
C80 C79 C78 102.8(9) . . ?
C80 C79 H79A 111.2 . . ?
C78 C79 H79A 111.2 . . ?
C80 C79 H79B 111.2 . . ?
C78 C79 H79B 111.2 . . ?
H79A C79 H79B 109.1 . . ?
C81 C80 C79 113.7(9) . . ?
C81 C80 H80A 108.8 . . ?
C79 C80 H80A 108.8 . . ?
C81 C80 H80B 108.8 . . ?
C79 C80 H80B 108.8 . . ?
H80A C80 H80B 107.7 . . ?
C80 C81 C82 109.4(9) . . ?
C80 C81 H81A 109.8 . . ?
C82 C81 H81A 109.8 . . ?
C80 C81 H81B 109.8 . . ?
C82 C81 H81B 109.8 . . ?
H81A C81 H81B 108.2 . . ?
C77 C82 C81 110.3(8) . . ?
C77 C82 H82A 109.6 . . ?
C81 C82 H82A 109.6 . . ?
C77 C82 H82B 109.6 . . ?
C81 C82 H82B 109.6 . . ?
H82A C82 H82B 108.1 . . ?
C84 C83 C88 110.6(7) . . ?
C84 C83 P2 118.7(7) . . ?
C88 C83 P2 115.1(6) . . ?
C84 C83 H83 103.4 . . ?
C88 C83 H83 103.4 . . ?
P2 C83 H83 103.4 . . ?
C85 C84 C83 109.2(9) . . ?
C85 C84 H84A 109.8 . . ?
C83 C84 H84A 109.8 . . ?
C85 C84 H84B 109.8 . . ?
C83 C84 H84B 109.8 . . ?
H84A C84 H84B 108.3 . . ?
C84 C85 C86 112.6(9) . . ?
C84 C85 H85A 109.1 . . ?
C86 C85 H85A 109.1 . . ?
C84 C85 H85B 109.1 . . ?
C86 C85 H85B 109.1 . . ?
H85A C85 H85B 107.8 . . ?
C87 C86 C85 111.4(8) . . ?
C87 C86 H86A 109.4 . . ?
C85 C86 H86A 109.4 . . ?
C87 C86 H86B 109.4 . . ?
C85 C86 H86B 109.4 . . ?
H86A C86 H86B 108.0 . . ?
C88 C87 C86 111.2(8) . . ?
C88 C87 H87A 109.4 . . ?
C86 C87 H87A 109.4 . . ?
C88 C87 H87B 109.4 . . ?
C86 C87 H87B 109.4 . . ?
H87A C87 H87B 108.0 . . ?
C87 C88 C83 110.6(8) . . ?
C87 C88 H88A 109.5 . . ?
C83 C88 H88A 109.5 . . ?
C87 C88 H88B 109.5 . . ?
C83 C88 H88B 109.5 . . ?
H88A C88 H88B 108.1 . . ?
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 C1 2.093(9) . ?
Pt1 C3 2.132(8) . ?
Pt1 P2 2.334(2) . ?
Pt1 P1 2.352(2) . ?
Br1 Si1 2.237(2) . ?
P1 C59B 1.77(2) . ?
P1 C53 1.860(9) . ?
P1 C65 1.862(10) . ?
P1 C59 1.929(16) . ?
P2 C77 1.856(9) . ?
P2 C71 1.859(9) . ?
P2 C83 1.862(9) . ?
Si1 N1 1.783(7) . ?
Si1 C2 1.846(9) . ?
Si1 C4 1.850(9) . ?
N1 C16 1.426(11) . ?
N1 C5 1.436(11) . ?
C1 C2 1.557(11) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.537(11) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.388(12) . ?
C5 C10 1.410(12) . ?
C6 C7 1.386(12) . ?
C6 C17 1.487(12) . ?
C7 C8 1.407(12) . ?
C7 H7 0.9500 . ?
C8 C9 1.359(13) . ?
C8 C31 1.523(12) . ?
C9 C10 1.396(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.433(12) . ?
C11 C12 1.379(12) . ?
C11 C16 1.417(11) . ?
C12 C13 1.384(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(12) . ?
C13 C35 1.523(12) . ?
C14 C15 1.395(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.399(12) . ?
C15 C39 1.482(11) . ?
C17 C18 1.381(12) . ?
C17 C22 1.385(12) . ?
C18 C19 1.387(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.380(13) . ?
C19 C23 1.534(13) . ?
C20 C21 1.390(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.378(12) . ?
C21 C27 1.525(13) . ?
C22 H22 0.9500 . ?
C23 C25 1.525(16) . ?
C23 C26 1.529(16) . ?
C23 C24 1.541(15) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.518(13) . ?
C27 C29 1.533(14) . ?
C27 C30 1.541(14) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.495(16) . ?
C31 C33 1.526(13) . ?
C31 C34 1.537(16) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.522(15) . ?
C35 C38 1.527(14) . ?
C35 C37 1.537(14) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.376(12) . ?
C39 C44 1.376(12) . ?
C40 C41 1.389(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.384(12) . ?
C41 C45 1.535(12) . ?
C42 C43 1.411(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.393(12) . ?
C43 C49 1.524(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.512(14) . ?
C45 C48 1.527(13) . ?
C45 C47 1.540(14) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.525(13) . ?
C49 C50 1.540(12) . ?
C49 C52 1.561(13) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C58 1.525(13) . ?
C53 C54 1.552(12) . ?
C53 H53 1.0000 . ?
C54 C55 1.529(12) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.507(13) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.534(14) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.548(12) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.518(16) . ?
C59 C64 1.561(17) . ?
C59 H59 1.0000 . ?
C60 C61 1.523(16) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.498(17) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.475(19) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.541(17) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C59B C60B 1.519(17) . ?
C59B C64B 1.564(18) . ?
C59B H59B 1.0000 . ?
C60B C61B 1.521(17) . ?
C60B H60C 0.9900 . ?
C60B H60D 0.9900 . ?
C61B C62B 1.498(18) . ?
C61B H61C 0.9900 . ?
C61B H61D 0.9900 . ?
C62B C63B 1.474(19) . ?
C62B H62C 0.9900 . ?
C62B H62D 0.9900 . ?
C63B C64B 1.538(18) . ?
C63B H63C 0.9900 . ?
C63B H63D 0.9900 . ?
C64B H64C 0.9900 . ?
C64B H64D 0.9900 . ?
C65 C70 1.531(16) . ?
C65 C66 1.537(15) . ?
C65 H65 1.0000 . ?
C66 C67 1.533(16) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.51(2) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 C69 1.521(16) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.532(14) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.531(14) . ?
C71 C76 1.549(11) . ?
C71 H71 1.0000 . ?
C72 C73 1.514(15) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.508(16) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.484(17) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.548(15) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.415(13) . ?
C77 C82 1.552(14) . ?
C77 H77 1.0000 . ?
C78 C79 1.619(13) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.511(17) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.512(16) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.554(13) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.535(12) . ?
C83 C88 1.534(12) . ?
C83 H83 1.0000 . ?
C84 C85 1.516(15) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.538(14) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.524(13) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.518(14) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
