#------------------------------------------------------------------------------
#$Date: 2020-12-09 03:48:06 +0200 (Wed, 09 Dec 2020) $
#$Revision: 259664 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/75/7127500.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_7127500
loop_
_publ_author_name
'Shimada, Shigeru'
'Wang, Xiang-Bo'
'Tanaka, Masato'
_publ_section_title
;
 Oxidative addition of Bi-C bonds to Pt(0): reaction of
 Pt(PEt₃)₃ with cyclic organobismuth compounds.
;
_journal_issue                   96
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              15216
_journal_page_last               15219
_journal_paper_doi               10.1039/d0cc07408j
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C36 H56 Bi N P2 Pt'
_chemical_formula_sum            'C36 H56 Bi N P2 Pt'
_chemical_formula_weight         968.86
_chemical_properties_physical    Air-sensitive,Heat-sensitive,Oxygen-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2019-08-29
_audit_creation_method           'by CrystalStructure 4.3'
_audit_update_record
;
2020-03-19 deposited with the CCDC.	2020-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 115.9600(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.0184(6)
_cell_length_b                   12.0638(4)
_cell_length_c                   19.2753(6)
_cell_measurement_reflns_used    9947
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.41
_cell_measurement_theta_min      2.35
_cell_volume                     3767.1(2)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20992
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.057
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.459
_exptl_absorpt_correction_T_max  0.588
_exptl_absorpt_correction_T_min  0.344
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick 1996
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1880.00
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.87
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     370
_refine_ls_number_reflns         8526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0182
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0100P)²+1.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0352
_refine_ls_wR_factor_ref         0.0364
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7380
_reflns_number_total             8526
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0cc07408j2.cif
_cod_data_source_block           Bi-Pt-Ph
_cod_database_code               7127500
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +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_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
Bi1 Bi 0.22594(2) 0.05537(2) 0.18128(2) 0.02246(3) Uani 1 1 d . . . . .
Pt1 Pt 0.18675(2) 0.19380(2) 0.05603(2) 0.01968(3) Uani 1 1 d . . . . .
P1 P 0.10015(4) 0.29653(6) -0.05116(4) 0.02244(15) Uani 1 1 d . . . . .
P2 P 0.29114(5) 0.15278(6) 0.02132(4) 0.02639(16) Uani 1 1 d . . . . .
N1 N 0.33252(14) -0.09690(19) 0.31181(12) 0.0265(5) Uani 1 1 d . . . . .
C1 C 0.27011(17) -0.0991(2) 0.14212(15) 0.0241(6) Uani 1 1 d . . . . .
C2 C 0.22413(18) -0.1318(2) 0.06615(16) 0.0302(7) Uani 1 1 d . . . . .
H2 H 0.180662 -0.085419 0.032491 0.036 Uiso 1 1 calc R U . . .
C3 C 0.2399(2) -0.2306(3) 0.03791(17) 0.0393(8) Uani 1 1 d . . . . .
H3 H 0.206893 -0.251923 -0.014064 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3037(2) -0.2969(3) 0.08571(19) 0.0416(8) Uani 1 1 d . . . . .
H4 H 0.316023 -0.363326 0.066442 0.050 Uiso 1 1 calc R U . . .
C5 C 0.34988(19) -0.2670(2) 0.16196(17) 0.0343(7) Uani 1 1 d . . . . .
H5 H 0.393685 -0.313519 0.194952 0.041 Uiso 1 1 calc R U . . .
C6 C 0.33285(17) -0.1694(2) 0.19089(15) 0.0261(6) Uani 1 1 d . . . . .
C7 C 0.38278(17) -0.1407(2) 0.27538(15) 0.0283(6) Uani 1 1 d . . . . .
H7A H 0.411875 -0.208092 0.303499 0.034 Uiso 1 1 calc R U . . .
H7B H 0.425092 -0.085070 0.280079 0.034 Uiso 1 1 calc R U . . .
C8 C 0.3794(2) -0.0156(3) 0.37097(16) 0.0373(7) Uani 1 1 d . . . . .
H8A H 0.432612 -0.049236 0.406601 0.045 Uiso 1 1 calc R U . . .
H8B H 0.348419 0.001663 0.401265 0.045 Uiso 1 1 calc R U . . .
C9 C 0.39677(18) 0.0922(2) 0.33988(16) 0.0307(7) Uani 1 1 d . . . . .
C10 C 0.46487(19) 0.1534(3) 0.39034(17) 0.0394(8) Uani 1 1 d . . . . .
H10 H 0.499828 0.123274 0.439431 0.047 Uiso 1 1 calc R U . . .
C11 C 0.4825(2) 0.2564(3) 0.37057(19) 0.0436(8) Uani 1 1 d . . . . .
H11 H 0.528705 0.297169 0.405924 0.052 Uiso 1 1 calc R U . . .
C12 C 0.4326(2) 0.2998(3) 0.29919(18) 0.0409(8) Uani 1 1 d . . . . .
H12 H 0.443968 0.371023 0.285145 0.049 Uiso 1 1 calc R U . . .
C13 C 0.36565(18) 0.2391(2) 0.24772(17) 0.0324(7) Uani 1 1 d . . . . .
H13 H 0.332075 0.269449 0.198319 0.039 Uiso 1 1 calc R U . . .
C14 C 0.34629(17) 0.1349(2) 0.26651(15) 0.0267(6) Uani 1 1 d . . . . .
C15 C 0.29073(18) -0.1812(3) 0.33954(16) 0.0329(7) Uani 1 1 d . . . . .
C16 C 0.2435(2) -0.2644(3) 0.27541(19) 0.0503(9) Uani 1 1 d . . . . .
H16A H 0.216477 -0.319094 0.294247 0.060 Uiso 1 1 calc R U . . .
H16B H 0.201793 -0.225191 0.230907 0.060 Uiso 1 1 calc R U . . .
H16C H 0.282123 -0.302156 0.259981 0.060 Uiso 1 1 calc R U . . .
C17 C 0.3510(2) -0.2458(3) 0.41053(17) 0.0435(8) Uani 1 1 d . . . . .
H17A H 0.320227 -0.299495 0.425988 0.052 Uiso 1 1 calc R U . . .
H17B H 0.391077 -0.284965 0.397844 0.052 Uiso 1 1 calc R U . . .
H17C H 0.380065 -0.194028 0.453072 0.052 Uiso 1 1 calc R U . . .
C18 C 0.2267(2) -0.1225(3) 0.3583(2) 0.0541(10) Uani 1 1 d . . . . .
H18A H 0.198859 -0.176875 0.376555 0.065 Uiso 1 1 calc R U . . .
H18B H 0.254167 -0.066964 0.398597 0.065 Uiso 1 1 calc R U . . .
H18C H 0.185976 -0.085945 0.311809 0.065 Uiso 1 1 calc R U . . .
C19 C 0.10635(16) 0.2370(2) 0.10164(15) 0.0241(6) Uani 1 1 d . . . . .
C20 C 0.03095(17) 0.1840(2) 0.08489(15) 0.0280(6) Uani 1 1 d . . . . .
H20 H 0.014853 0.123105 0.050179 0.034 Uiso 1 1 calc R U . . .
C21 C -0.02079(18) 0.2171(3) 0.11700(17) 0.0351(7) Uani 1 1 d . . . . .
H21 H -0.071486 0.179385 0.103684 0.042 Uiso 1 1 calc R U . . .
C22 C 0.0008(2) 0.3047(3) 0.16825(17) 0.0385(8) Uani 1 1 d . . . . .
H22 H -0.034857 0.328039 0.189930 0.046 Uiso 1 1 calc R U . . .
C23 C 0.0752(2) 0.3579(2) 0.18751(16) 0.0342(7) Uani 1 1 d . . . . .
H23 H 0.091181 0.417524 0.223271 0.041 Uiso 1 1 calc R U . . .
C24 C 0.12643(18) 0.3246(2) 0.15498(15) 0.0275(6) Uani 1 1 d . . . . .
H24 H 0.177248 0.362525 0.169234 0.033 Uiso 1 1 calc R U . . .
C25 C 0.00223(18) 0.2229(2) -0.10185(16) 0.0343(7) Uani 1 1 d . . . . .
H25A H -0.026001 0.219418 -0.067911 0.041 Uiso 1 1 calc R U . . .
H25B H -0.033433 0.265786 -0.148390 0.041 Uiso 1 1 calc R U . . .
C26 C 0.0117(2) 0.1057(3) -0.12612(19) 0.0486(9) Uani 1 1 d . . . . .
H26A H -0.042845 0.071269 -0.152818 0.058 Uiso 1 1 calc R U . . .
H26B H 0.038305 0.108370 -0.160869 0.058 Uiso 1 1 calc R U . . .
H26C H 0.045744 0.061950 -0.080300 0.058 Uiso 1 1 calc R U . . .
C27 C 0.06549(18) 0.4279(2) -0.02869(16) 0.0285(6) Uani 1 1 d . . . . .
H27A H 0.022378 0.459712 -0.076821 0.034 Uiso 1 1 calc R U . . .
H27B H 0.040123 0.413765 0.006810 0.034 Uiso 1 1 calc R U . . .
C28 C 0.1346(2) 0.5126(2) 0.00820(18) 0.0398(8) Uani 1 1 d . . . . .
H28A H 0.112134 0.580997 0.018813 0.048 Uiso 1 1 calc R U . . .
H28B H 0.176972 0.482543 0.056593 0.048 Uiso 1 1 calc R U . . .
H28C H 0.159212 0.528528 -0.027107 0.048 Uiso 1 1 calc R U . . .
C29 C 0.12754(18) 0.3337(2) -0.12943(15) 0.0289(6) Uani 1 1 d . . . . .
H29A H 0.180352 0.374911 -0.106645 0.035 Uiso 1 1 calc R U . . .
H29B H 0.137417 0.264251 -0.151491 0.035 Uiso 1 1 calc R U . . .
C30 C 0.0651(2) 0.4028(2) -0.19537(16) 0.0360(7) Uani 1 1 d . . . . .
H30A H 0.086431 0.417251 -0.233367 0.043 Uiso 1 1 calc R U . . .
H30B H 0.012865 0.362195 -0.220078 0.043 Uiso 1 1 calc R U . . .
H30C H 0.055956 0.473261 -0.175067 0.043 Uiso 1 1 calc R U . . .
C31 C 0.2580(2) 0.0660(3) -0.06604(18) 0.0415(8) Uani 1 1 d . . . . .
H31A H 0.267524 -0.012325 -0.048965 0.050 Uiso 1 1 calc R U . . .
H31B H 0.197570 0.075491 -0.095847 0.050 Uiso 1 1 calc R U . . .
C32 C 0.2960(3) 0.0831(3) -0.1212(2) 0.0649(11) Uani 1 1 d . . . . .
H32A H 0.271731 0.030658 -0.164170 0.078 Uiso 1 1 calc R U . . .
H32B H 0.285369 0.159074 -0.141204 0.078 Uiso 1 1 calc R U . . .
H32C H 0.355745 0.070729 -0.094039 0.078 Uiso 1 1 calc R U . . .
C33 C 0.38383(18) 0.0832(2) 0.09246(18) 0.0362(7) Uani 1 1 d . . . . .
H33A H 0.406422 0.129227 0.139745 0.043 Uiso 1 1 calc R U . . .
H33B H 0.366335 0.011893 0.106059 0.043 Uiso 1 1 calc R U . . .
C34 C 0.4535(2) 0.0591(3) 0.0710(2) 0.0593(11) Uani 1 1 d . . . . .
H34A H 0.498545 0.021999 0.114163 0.071 Uiso 1 1 calc R U . . .
H34B H 0.433394 0.010833 0.025488 0.071 Uiso 1 1 calc R U . . .
H34C H 0.473676 0.128737 0.059338 0.071 Uiso 1 1 calc R U . . .
C35 C 0.33746(19) 0.2759(2) -0.00062(18) 0.0367(7) Uani 1 1 d . . . . .
H35A H 0.386046 0.252607 -0.008265 0.044 Uiso 1 1 calc R U . . .
H35B H 0.296888 0.309012 -0.049558 0.044 Uiso 1 1 calc R U . . .
C36 C 0.3642(2) 0.3636(3) 0.0625(2) 0.0513(9) Uani 1 1 d . . . . .
H36A H 0.388303 0.426815 0.047682 0.062 Uiso 1 1 calc R U . . .
H36B H 0.316210 0.388402 0.069599 0.062 Uiso 1 1 calc R U . . .
H36C H 0.405423 0.331961 0.110918 0.062 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Bi Bi -4.1077 10.2566
;
International Tables for Crystallography
(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 Bi1 C14 102.86(10) . . ?
C1 Bi1 Pt1 101.40(6) . . ?
C14 Bi1 Pt1 100.02(7) . . ?
C19 Pt1 P2 172.03(8) . . ?
C19 Pt1 P1 85.45(7) . . ?
P2 Pt1 P1 99.88(3) . . ?
C19 Pt1 Bi1 74.87(7) . . ?
P2 Pt1 Bi1 101.230(18) . . ?
P1 Pt1 Bi1 156.027(18) . . ?
C27 P1 C25 101.43(14) . . ?
C27 P1 C29 103.07(13) . . ?
C25 P1 C29 102.88(14) . . ?
C27 P1 Pt1 114.71(9) . . ?
C25 P1 Pt1 109.32(9) . . ?
C29 P1 Pt1 122.85(9) . . ?
C33 P2 C35 100.66(14) . . ?
C33 P2 C31 104.32(15) . . ?
C35 P2 C31 104.27(15) . . ?
C33 P2 Pt1 118.15(10) . . ?
C35 P2 Pt1 113.72(11) . . ?
C31 P2 Pt1 113.97(11) . . ?
C8 N1 C7 110.4(2) . . ?
C8 N1 C15 112.8(2) . . ?
C7 N1 C15 116.0(2) . . ?
C2 C1 C6 118.1(3) . . ?
C2 C1 Bi1 116.6(2) . . ?
C6 C1 Bi1 124.77(19) . . ?
C1 C2 C3 121.8(3) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 119.9(3) . . ?
C5 C6 C7 119.4(2) . . ?
C1 C6 C7 120.6(2) . . ?
N1 C7 C6 113.3(2) . . ?
N1 C7 H7A 108.9 . . ?
C6 C7 H7A 108.9 . . ?
N1 C7 H7B 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
N1 C8 C9 114.5(2) . . ?
N1 C8 H8A 108.6 . . ?
C9 C8 H8A 108.6 . . ?
N1 C8 H8B 108.6 . . ?
C9 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
C10 C9 C14 119.5(3) . . ?
C10 C9 C8 116.6(3) . . ?
C14 C9 C8 123.9(3) . . ?
C11 C10 C9 121.6(3) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C12 C11 C10 119.4(3) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C11 C12 C13 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C14 121.9(3) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C9 117.9(3) . . ?
C13 C14 Bi1 117.34(19) . . ?
C9 C14 Bi1 124.3(2) . . ?
N1 C15 C18 108.7(3) . . ?
N1 C15 C16 110.2(2) . . ?
C18 C15 C16 106.6(3) . . ?
N1 C15 C17 113.1(2) . . ?
C18 C15 C17 109.7(3) . . ?
C16 C15 C17 108.3(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 115.0(3) . . ?
C20 C19 Pt1 125.1(2) . . ?
C24 C19 Pt1 119.8(2) . . ?
C21 C20 C19 122.6(3) . . ?
C21 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.0(3) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C24 120.3(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 122.7(3) . . ?
C23 C24 H24 118.7 . . ?
C19 C24 H24 118.7 . . ?
C26 C25 P1 113.8(2) . . ?
C26 C25 H25A 108.8 . . ?
P1 C25 H25A 108.8 . . ?
C26 C25 H25B 108.8 . . ?
P1 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 P1 113.4(2) . . ?
C28 C27 H27A 108.9 . . ?
P1 C27 H27A 108.9 . . ?
C28 C27 H27B 108.9 . . ?
P1 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
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 . . ?
C30 C29 P1 116.9(2) . . ?
C30 C29 H29A 108.1 . . ?
P1 C29 H29A 108.1 . . ?
C30 C29 H29B 108.1 . . ?
P1 C29 H29B 108.1 . . ?
H29A C29 H29B 107.3 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P2 119.9(3) . . ?
C32 C31 H31A 107.3 . . ?
P2 C31 H31A 107.3 . . ?
C32 C31 H31B 107.3 . . ?
P2 C31 H31B 107.3 . . ?
H31A C31 H31B 106.9 . . ?
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 . . ?
C34 C33 P2 118.4(2) . . ?
C34 C33 H33A 107.7 . . ?
P2 C33 H33A 107.7 . . ?
C34 C33 H33B 107.7 . . ?
P2 C33 H33B 107.7 . . ?
H33A C33 H33B 107.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P2 113.2(2) . . ?
C36 C35 H35A 108.9 . . ?
P2 C35 H35A 108.9 . . ?
C36 C35 H35B 108.9 . . ?
P2 C35 H35B 108.9 . . ?
H35A C35 H35B 107.8 . . ?
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 . . ?
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
Bi1 C1 2.281(3) . ?
Bi1 C14 2.281(3) . ?
Bi1 Pt1 2.76100(15) . ?
Pt1 C19 2.064(3) . ?
Pt1 P2 2.3091(7) . ?
Pt1 P1 2.3275(7) . ?
P1 C27 1.824(3) . ?
P1 C25 1.829(3) . ?
P1 C29 1.836(3) . ?
P2 C33 1.836(3) . ?
P2 C35 1.841(3) . ?
P2 C31 1.846(3) . ?
N1 C8 1.460(4) . ?
N1 C7 1.466(3) . ?
N1 C15 1.497(4) . ?
C1 C2 1.387(4) . ?
C1 C6 1.396(4) . ?
C2 C3 1.390(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.372(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.516(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.520(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.397(4) . ?
C9 C14 1.403(4) . ?
C10 C11 1.377(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.375(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(4) . ?
C13 H13 0.9500 . ?
C15 C18 1.526(4) . ?
C15 C16 1.529(4) . ?
C15 C17 1.535(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
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 C20 1.405(4) . ?
C19 C24 1.407(4) . ?
C20 C21 1.384(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.523(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.524(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.524(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.511(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.512(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.523(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
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
C6 C1 C2 C3 -1.0(4) . . . . ?
Bi1 C1 C2 C3 -173.4(2) . . . . ?
C1 C2 C3 C4 -1.3(5) . . . . ?
C2 C3 C4 C5 2.0(5) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C4 C5 C6 C1 -1.9(5) . . . . ?
C4 C5 C6 C7 178.0(3) . . . . ?
C2 C1 C6 C5 2.5(4) . . . . ?
Bi1 C1 C6 C5 174.2(2) . . . . ?
C2 C1 C6 C7 -177.3(3) . . . . ?
Bi1 C1 C6 C7 -5.6(4) . . . . ?
C8 N1 C7 C6 -147.1(2) . . . . ?
C15 N1 C7 C6 83.0(3) . . . . ?
C5 C6 C7 N1 -137.8(3) . . . . ?
C1 C6 C7 N1 42.1(4) . . . . ?
C7 N1 C8 C9 69.2(3) . . . . ?
C15 N1 C8 C9 -159.2(2) . . . . ?
N1 C8 C9 C10 -156.2(3) . . . . ?
N1 C8 C9 C14 27.6(4) . . . . ?
C14 C9 C10 C11 1.8(5) . . . . ?
C8 C9 C10 C11 -174.6(3) . . . . ?
C9 C10 C11 C12 -0.8(5) . . . . ?
C10 C11 C12 C13 -0.5(5) . . . . ?
C11 C12 C13 C14 0.9(5) . . . . ?
C12 C13 C14 C9 0.1(4) . . . . ?
C12 C13 C14 Bi1 172.9(2) . . . . ?
C10 C9 C14 C13 -1.4(4) . . . . ?
C8 C9 C14 C13 174.7(3) . . . . ?
C10 C9 C14 Bi1 -173.7(2) . . . . ?
C8 C9 C14 Bi1 2.5(4) . . . . ?
C8 N1 C15 C18 64.1(3) . . . . ?
C7 N1 C15 C18 -167.2(2) . . . . ?
C8 N1 C15 C16 -179.5(2) . . . . ?
C7 N1 C15 C16 -50.7(3) . . . . ?
C8 N1 C15 C17 -58.0(3) . . . . ?
C7 N1 C15 C17 70.7(3) . . . . ?
C24 C19 C20 C21 1.5(4) . . . . ?
Pt1 C19 C20 C21 -179.6(2) . . . . ?
C19 C20 C21 C22 -0.6(4) . . . . ?
C20 C21 C22 C23 -0.7(4) . . . . ?
C21 C22 C23 C24 0.9(4) . . . . ?
C22 C23 C24 C19 0.1(4) . . . . ?
C20 C19 C24 C23 -1.2(4) . . . . ?
Pt1 C19 C24 C23 179.8(2) . . . . ?
C27 P1 C25 C26 -178.0(2) . . . . ?
C29 P1 C25 C26 75.6(2) . . . . ?
Pt1 P1 C25 C26 -56.5(2) . . . . ?
C25 P1 C27 C28 -174.7(2) . . . . ?
C29 P1 C27 C28 -68.4(2) . . . . ?
Pt1 P1 C27 C28 67.6(2) . . . . ?
C27 P1 C29 C30 -47.8(2) . . . . ?
C25 P1 C29 C30 57.4(2) . . . . ?
Pt1 P1 C29 C30 -179.11(17) . . . . ?
C33 P2 C31 C32 -84.5(3) . . . . ?
C35 P2 C31 C32 20.6(3) . . . . ?
Pt1 P2 C31 C32 145.2(3) . . . . ?
C35 P2 C33 C34 -53.9(3) . . . . ?
C31 P2 C33 C34 54.0(3) . . . . ?
Pt1 P2 C33 C34 -178.2(2) . . . . ?
C33 P2 C35 C36 -76.0(3) . . . . ?
C31 P2 C35 C36 176.1(2) . . . . ?
Pt1 P2 C35 C36 51.4(2) . . . . ?
