#------------------------------------------------------------------------------
#$Date: 2022-05-05 01:59:53 +0300 (Thu, 05 May 2022) $
#$Revision: 274901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/01/7710195.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_7710195
loop_
_publ_author_name
'Dunaj, Tobias'
'Dollberg, Kevin'
'von Hänisch, Carsten'
_publ_section_title
;
 Binary interpnictogen compounds bearing diaryl bismuth fragments bound to
 all lighter pnictogens
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00472K
_journal_year                    2022
_chemical_formula_moiety         'C26 H40 Bi P'
_chemical_formula_sum            'C26 H40 Bi P'
_chemical_formula_weight         592.53
_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     dual
_audit_creation_date             2021-03-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-02-11 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.938(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.2923(13)
_cell_length_b                   9.4485(5)
_cell_length_c                   31.273(2)
_cell_measurement_reflns_used    23579
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.914
_cell_measurement_theta_min      1.659
_cell_volume                     5072.2(6)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_detector_type            'STOE IPDS 2T'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            33120
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.914
_diffrn_reflns_theta_min         1.659
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_exptl_absorpt_coefficient_mu    7.024
_exptl_absorpt_correction_T_max  0.4210
_exptl_absorpt_correction_T_min  0.1800
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   'LANA 1.83.8.0 (STOE, 2020)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_description       needle
_exptl_crystal_F_000             2352
_exptl_crystal_size_rad          0.0492
_refine_diff_density_max         1.646
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         12063
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0361P)²+3.1493P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0695
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8976
_reflns_number_total             12063
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00472k2.cif
_cod_data_source_block           tdx045
_cod_original_cell_volume        5072.1(6)
_cod_database_code               7710195
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C22(H22), C12(H12), C15(H15), C25(H25), C27(H27), C10(H10), C20(H20)
2.b Idealised Me refined as rotating group:
 C42(H42A,H42B,H42C), C29(H29A,H29B,H29C), C43(H43A,H43B,H43C), C47(H47A,H47B,
 H47C), C40(H40A,H40B,H40C), C33(H33A,H33B,H33C), C37(H37A,H37B,H37C), C49(H49A,
 H49B,H49C), C48(H48A,H48B,H48C), C41(H41A,H41B,H41C), C32(H32A,H32B,H32C),
 C44(H44A,H44B,H44C), C31(H31A,H31B,H31C), C45(H45A,H45B,H45C), C50(H50A,H50B,
 H50C), C51(H51A,H51B,H51C), C30(H30A,H30B,H30C), C39(H39A,H39B,H39C), C52(H52A,
 H52B,H52C), C34(H34A,H34B,H34C), C46(H46A,H46B,H46C), C35(H35A,H35B,H35C),
 C36(H36A,H36B,H36C), C38(H38A,H38B,H38C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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 0.73770(2) 0.04286(2) 0.42129(2) 0.01787(4) Uani 1 1 d . . . . .
Bi2 Bi 0.80103(2) 1.03674(2) 0.24050(2) 0.02068(4) Uani 1 1 d . . . . .
P1 P 0.74772(6) -0.08662(11) 0.49773(3) 0.0180(2) Uani 1 1 d . . . . .
P2 P 0.70970(6) 1.17292(12) 0.17818(3) 0.0209(2) Uani 1 1 d . . . . .
C1 C 0.6361(2) 0.1943(4) 0.42405(13) 0.0205(8) Uani 1 1 d . . . . .
C17 C 0.8842(2) 0.3992(4) 0.38296(13) 0.0222(8) Uani 1 1 d . . . . .
H17 H 0.881773 0.450033 0.357359 0.027 Uiso 1 1 calc R . . . .
C42 C 0.5916(2) -0.1707(4) 0.45755(13) 0.0231(9) Uani 1 1 d . . . . .
H42A H 0.588670 -0.086801 0.440092 0.035 Uiso 1 1 calc GR . . . .
H42B H 0.540161 -0.196973 0.463234 0.035 Uiso 1 1 calc GR . . . .
H42C H 0.613887 -0.246246 0.442592 0.035 Uiso 1 1 calc GR . . . .
C14 C 0.8868(2) 0.2528(4) 0.46035(13) 0.0184(8) Uani 1 1 d . . . . .
C22 C 0.8623(3) 0.6945(5) 0.14693(15) 0.0318(10) Uani 1 1 d . . . . .
H22 H 0.835036 0.636716 0.126262 0.038 Uiso 1 1 calc R . . . .
C8 C 0.6873(2) 1.3341(5) 0.21154(14) 0.0253(9) Uani 1 1 d . . . . .
C11 C 0.5151(2) 0.3975(5) 0.41773(14) 0.0248(9) Uani 1 1 d . . . . .
C12 C 0.5160(2) 0.2887(5) 0.38779(14) 0.0256(9) Uani 1 1 d . . . . .
H12 H 0.475103 0.282507 0.365620 0.031 Uiso 1 1 calc R . . . .
C5 C 0.8612(2) 0.8782(4) 0.20072(13) 0.0234(8) Uani 1 1 d . . . . .
C16 C 0.9438(2) 0.4285(4) 0.41584(13) 0.0218(8) Uani 1 1 d . . . . .
C28 C 0.6450(3) 0.8475(5) 0.26179(13) 0.0259(9) Uani 1 1 d . . . . .
C19 C 0.9433(3) 0.8749(5) 0.20720(15) 0.0307(10) Uani 1 1 d . . . . .
C29 C 0.6971(2) 0.3133(4) 0.49376(13) 0.0220(8) Uani 1 1 d . . . . .
H29A H 0.713287 0.220471 0.503639 0.033 Uiso 1 1 calc GR . . . .
H29B H 0.676527 0.363581 0.516554 0.033 Uiso 1 1 calc GR . . . .
H29C H 0.740944 0.363824 0.485322 0.033 Uiso 1 1 calc GR . . . .
C43 C 0.6061(2) -0.0171(4) 0.52278(15) 0.0272(9) Uani 1 1 d . . . . .
H43A H 0.638450 0.005677 0.548995 0.041 Uiso 1 1 calc GR . . . .
H43B H 0.555147 -0.043562 0.529260 0.041 Uiso 1 1 calc GR . . . .
H43C H 0.601945 0.063836 0.504098 0.041 Uiso 1 1 calc GR . . . .
C6 C 0.7251(2) 0.8693(4) 0.26976(12) 0.0215(8) Uani 1 1 d . . . . .
C47 C 0.8665(2) 1.2565(5) 0.15958(14) 0.0281(10) Uani 1 1 d . . . . .
H47A H 0.866354 1.334509 0.179237 0.042 Uiso 1 1 calc GR . . . .
H47B H 0.897221 1.280411 0.137041 0.042 Uiso 1 1 calc GR . . . .
H47C H 0.888254 1.174640 0.174750 0.042 Uiso 1 1 calc GR . . . .
C15 C 0.9428(2) 0.3569(4) 0.45423(13) 0.0212(8) Uani 1 1 d . . . . .
H15 H 0.980642 0.378311 0.477036 0.025 Uiso 1 1 calc R . . . .
C3 C 0.6425(2) -0.1419(4) 0.50017(13) 0.0207(8) Uani 1 1 d . . . . .
C40 C 0.5914(2) 0.9221(5) 0.22742(15) 0.0318(10) Uani 1 1 d . . . . .
H40A H 0.555143 0.979487 0.240691 0.048 Uiso 1 1 calc GR . . . .
H40B H 0.563377 0.853303 0.209007 0.048 Uiso 1 1 calc GR . . . .
H40C H 0.621476 0.981106 0.210669 0.048 Uiso 1 1 calc GR . . . .
C33 C 1.0062(2) 0.5335(5) 0.40875(15) 0.0283(9) Uani 1 1 d . . . . .
H33A H 1.042550 0.490701 0.391790 0.042 Uiso 1 1 calc GR . . . .
H33B H 1.032906 0.562324 0.436053 0.042 Uiso 1 1 calc GR . . . .
H33C H 0.982892 0.614712 0.393869 0.042 Uiso 1 1 calc GR . . . .
C18 C 0.8280(2) 0.2962(4) 0.38727(13) 0.0207(8) Uani 1 1 d . . . . .
C9 C 0.6349(2) 0.3005(4) 0.45564(13) 0.0193(8) Uani 1 1 d . . . . .
C25 C 0.7309(3) 0.6900(4) 0.32539(13) 0.0259(9) Uani 1 1 d . . . . .
H25 H 0.760177 0.636050 0.346349 0.031 Uiso 1 1 calc R . . . .
C7 C 0.7828(2) 1.2244(4) 0.14000(13) 0.0217(8) Uani 1 1 d . . . . .
C26 C 0.6513(3) 0.6697(5) 0.31842(13) 0.0274(9) Uani 1 1 d . . . . .
C37 C 0.7333(3) 0.7798(5) 0.16298(14) 0.0299(10) Uani 1 1 d . . . . .
H37A H 0.717968 0.729252 0.136691 0.045 Uiso 1 1 calc GR . . . .
H37B H 0.712857 0.874306 0.160524 0.045 Uiso 1 1 calc GR . . . .
H37C H 0.713309 0.732215 0.186436 0.045 Uiso 1 1 calc GR . . . .
C4 C 0.8044(2) -0.2464(4) 0.48145(14) 0.0227(9) Uani 1 1 d . . . . .
C49 C 0.7497(3) 1.3507(5) 0.11291(14) 0.0319(10) Uani 1 1 d . . . . .
H49A H 0.697012 1.330715 0.101084 0.048 Uiso 1 1 calc GR . . . .
H49B H 0.780743 1.366932 0.089918 0.048 Uiso 1 1 calc GR . . . .
H49C H 0.750696 1.433440 0.130773 0.048 Uiso 1 1 calc GR . . . .
C13 C 0.5757(2) 0.1884(4) 0.38968(13) 0.0227(9) Uani 1 1 d . . . . .
C2 C 0.8291(2) 0.2207(4) 0.42639(12) 0.0182(8) Uani 1 1 d . . . . .
C23 C 0.8208(3) 0.7856(5) 0.17124(14) 0.0276(9) Uani 1 1 d . . . . .
C48 C 0.7844(3) 1.0985(5) 0.10895(13) 0.0263(9) Uani 1 1 d . . . . .
H48A H 0.806152 1.017395 0.124506 0.040 Uiso 1 1 calc GR . . . .
H48B H 0.815796 1.122239 0.086660 0.040 Uiso 1 1 calc GR . . . .
H48C H 0.732338 1.077436 0.096288 0.040 Uiso 1 1 calc GR . . . .
C27 C 0.6097(3) 0.7481(5) 0.28603(14) 0.0279(10) Uani 1 1 d . . . . .
H27 H 0.556290 0.733881 0.280235 0.033 Uiso 1 1 calc R . . . .
C41 C 0.6418(3) -0.2711(5) 0.52933(14) 0.0275(9) Uani 1 1 d . . . . .
H41A H 0.659175 -0.352522 0.514808 0.041 Uiso 1 1 calc GR . . . .
H41B H 0.589854 -0.287015 0.536128 0.041 Uiso 1 1 calc GR . . . .
H41C H 0.676002 -0.255020 0.555427 0.041 Uiso 1 1 calc GR . . . .
C32 C 0.8928(2) 0.1842(5) 0.50411(12) 0.0245(9) Uani 1 1 d . . . . .
H32A H 0.940342 0.131044 0.509004 0.037 Uiso 1 1 calc GR . . . .
H32B H 0.849265 0.121844 0.505367 0.037 Uiso 1 1 calc GR . . . .
H32C H 0.892518 0.255894 0.525833 0.037 Uiso 1 1 calc GR . . . .
C44 C 0.8801(2) -0.1894(5) 0.46615(15) 0.0299(10) Uani 1 1 d . . . . .
H44A H 0.867490 -0.135493 0.440214 0.045 Uiso 1 1 calc GR . . . .
H44B H 0.913117 -0.267236 0.460620 0.045 Uiso 1 1 calc GR . . . .
H44C H 0.906636 -0.129894 0.488087 0.045 Uiso 1 1 calc GR . . . .
C31 C 0.5728(3) 0.0771(5) 0.35484(14) 0.0306(10) Uani 1 1 d . . . . .
H31A H 0.619755 0.081151 0.341323 0.046 Uiso 1 1 calc GR . . . .
H31B H 0.528754 0.094201 0.333714 0.046 Uiso 1 1 calc GR . . . .
H31C H 0.568111 -0.014873 0.367330 0.046 Uiso 1 1 calc GR . . . .
C45 C 0.8302(3) -0.3360(5) 0.52209(14) 0.0290(10) Uani 1 1 d . . . . .
H45A H 0.860274 -0.278249 0.543233 0.044 Uiso 1 1 calc GR . . . .
H45B H 0.861389 -0.414128 0.514547 0.044 Uiso 1 1 calc GR . . . .
H45C H 0.785055 -0.371162 0.533714 0.044 Uiso 1 1 calc GR . . . .
C50 C 0.7555(3) 1.4280(5) 0.22840(15) 0.0303(10) Uani 1 1 d . . . . .
H50A H 0.795247 1.371599 0.244326 0.046 Uiso 1 1 calc GR . . . .
H50B H 0.738145 1.499345 0.246902 0.046 Uiso 1 1 calc GR . . . .
H50C H 0.776236 1.472361 0.204621 0.046 Uiso 1 1 calc GR . . . .
C10 C 0.5746(2) 0.3999(4) 0.45164(13) 0.0214(8) Uani 1 1 d . . . . .
H10 H 0.574369 0.470088 0.472468 0.026 Uiso 1 1 calc R . . . .
C51 C 0.6469(2) 1.2785(5) 0.24944(14) 0.0300(10) Uani 1 1 d . . . . .
H51A H 0.601099 1.226428 0.238548 0.045 Uiso 1 1 calc GR . . . .
H51B H 0.632587 1.356845 0.266373 0.045 Uiso 1 1 calc GR . . . .
H51C H 0.681996 1.217575 0.267061 0.045 Uiso 1 1 calc GR . . . .
C30 C 0.4529(3) 0.5096(5) 0.41284(17) 0.0349(11) Uani 1 1 d . . . . .
H30A H 0.470699 0.589179 0.397657 0.052 Uiso 1 1 calc GR . . . .
H30B H 0.441717 0.539296 0.440807 0.052 Uiso 1 1 calc GR . . . .
H30C H 0.406489 0.471789 0.396944 0.052 Uiso 1 1 calc GR . . . .
C39 C 0.6105(3) 0.5655(5) 0.34495(16) 0.0370(11) Uani 1 1 d . . . . .
H39A H 0.600281 0.479488 0.328949 0.056 Uiso 1 1 calc GR . . . .
H39B H 0.562256 0.605626 0.351407 0.056 Uiso 1 1 calc GR . . . .
H39C H 0.643184 0.545554 0.371311 0.056 Uiso 1 1 calc GR . . . .
C24 C 0.7690(3) 0.7884(5) 0.30217(13) 0.0255(9) Uani 1 1 d . . . . .
C52 C 0.6252(3) 1.4243(5) 0.18385(16) 0.0375(12) Uani 1 1 d . . . . .
H52A H 0.648291 1.467488 0.160657 0.056 Uiso 1 1 calc GR . . . .
H52B H 0.606172 1.496528 0.201449 0.056 Uiso 1 1 calc GR . . . .
H52C H 0.582835 1.364646 0.172302 0.056 Uiso 1 1 calc GR . . . .
C20 C 0.9819(3) 0.7775(5) 0.18336(16) 0.0364(12) Uani 1 1 d . . . . .
H20 H 1.035951 0.772443 0.188237 0.044 Uiso 1 1 calc R . . . .
C34 C 0.7683(2) 0.2690(5) 0.34890(13) 0.0262(9) Uani 1 1 d . . . . .
H34A H 0.774296 0.337555 0.326874 0.039 Uiso 1 1 calc GR . . . .
H34B H 0.716971 0.276600 0.357450 0.039 Uiso 1 1 calc GR . . . .
H34C H 0.775584 0.175689 0.337949 0.039 Uiso 1 1 calc GR . . . .
C46 C 0.7631(3) -0.3422(4) 0.44612(14) 0.0257(9) Uani 1 1 d . . . . .
H46A H 0.718659 -0.385687 0.456390 0.039 Uiso 1 1 calc GR . . . .
H46B H 0.798399 -0.414215 0.438849 0.039 Uiso 1 1 calc GR . . . .
H46C H 0.746301 -0.286473 0.421031 0.039 Uiso 1 1 calc GR . . . .
C35 C 0.9918(3) 0.9713(6) 0.23837(16) 0.0380(12) Uani 1 1 d . . . . .
H35A H 0.981160 1.068130 0.230404 0.057 Uiso 1 1 calc GR . . . .
H35B H 1.046030 0.951708 0.237528 0.057 Uiso 1 1 calc GR . . . .
H35C H 0.978862 0.955324 0.266990 0.057 Uiso 1 1 calc GR . . . .
C36 C 0.9862(3) 0.5879(5) 0.1266(2) 0.0518(16) Uani 1 1 d . . . . .
H36A H 1.005005 0.508928 0.144218 0.078 Uiso 1 1 calc GR . . . .
H36B H 1.029373 0.636265 0.116624 0.078 Uiso 1 1 calc GR . . . .
H36C H 0.951635 0.554508 0.102376 0.078 Uiso 1 1 calc GR . . . .
C21 C 0.9428(3) 0.6886(5) 0.15289(17) 0.0377(12) Uani 1 1 d . . . . .
C38 C 0.8557(3) 0.8022(5) 0.31279(16) 0.0366(11) Uani 1 1 d . . . . .
H38A H 0.880828 0.769427 0.288891 0.055 Uiso 1 1 calc GR . . . .
H38B H 0.872795 0.746359 0.337800 0.055 Uiso 1 1 calc GR . . . .
H38C H 0.868918 0.899636 0.318468 0.055 Uiso 1 1 calc GR . . . .
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'
Bi Bi -4.1077 10.2566 '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'
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 P1 102.77(10) . . ?
C1 Bi1 C2 93.71(14) . . ?
C2 Bi1 P1 107.63(10) . . ?
C5 Bi2 P2 100.73(10) . . ?
C5 Bi2 C6 94.88(14) . . ?
C6 Bi2 P2 107.62(10) . . ?
C3 P1 Bi1 101.68(13) . . ?
C3 P1 C4 108.62(18) . . ?
C4 P1 Bi1 95.95(13) . . ?
C8 P2 Bi2 97.23(13) . . ?
C7 P2 Bi2 101.58(13) . . ?
C7 P2 C8 109.43(19) . . ?
C9 C1 Bi1 123.5(3) . . ?
C13 C1 Bi1 116.8(3) . . ?
C13 C1 C9 119.4(4) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C18 C17 C16 122.0(4) . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C3 C42 H42A 109.5 . . ?
C3 C42 H42B 109.5 . . ?
C3 C42 H42C 109.5 . . ?
C15 C14 C32 116.8(3) . . ?
C2 C14 C15 119.1(4) . . ?
C2 C14 C32 124.1(3) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C21 C22 C23 121.6(5) . . ?
C50 C8 P2 117.0(3) . . ?
C50 C8 C51 109.7(4) . . ?
C50 C8 C52 109.2(4) . . ?
C51 C8 P2 106.8(3) . . ?
C51 C8 C52 105.7(4) . . ?
C52 C8 P2 107.8(3) . . ?
C12 C11 C30 121.1(4) . . ?
C10 C11 C12 117.4(4) . . ?
C10 C11 C30 121.5(4) . . ?
C11 C12 H12 118.7 . . ?
C11 C12 C13 122.7(4) . . ?
C13 C12 H12 118.7 . . ?
C19 C5 Bi2 117.0(3) . . ?
C23 C5 Bi2 123.2(3) . . ?
C23 C5 C19 119.7(4) . . ?
C17 C16 C33 120.2(4) . . ?
C15 C16 C17 117.3(4) . . ?
C15 C16 C33 122.5(4) . . ?
C6 C28 C40 124.8(4) . . ?
C6 C28 C27 119.6(4) . . ?
C27 C28 C40 115.6(4) . . ?
C5 C19 C35 123.3(4) . . ?
C20 C19 C5 118.2(5) . . ?
C20 C19 C35 118.4(4) . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C9 C29 H29A 109.5 . . ?
C9 C29 H29B 109.5 . . ?
C9 C29 H29C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C3 C43 H43A 109.5 . . ?
C3 C43 H43B 109.5 . . ?
C3 C43 H43C 109.5 . . ?
C28 C6 Bi2 129.0(3) . . ?
C28 C6 C24 119.0(4) . . ?
C24 C6 Bi2 111.8(3) . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C7 C47 H47A 109.5 . . ?
C7 C47 H47B 109.5 . . ?
C7 C47 H47C 109.5 . . ?
C14 C15 H15 118.6 . . ?
C16 C15 C14 122.8(4) . . ?
C16 C15 H15 118.6 . . ?
C42 C3 P1 117.8(3) . . ?
C42 C3 C43 108.0(3) . . ?
C43 C3 P1 104.7(3) . . ?
C41 C3 P1 108.7(3) . . ?
C41 C3 C42 109.5(3) . . ?
C41 C3 C43 107.7(3) . . ?
C28 C40 H40A 109.5 . . ?
C28 C40 H40B 109.5 . . ?
C28 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C16 C33 H33A 109.5 . . ?
C16 C33 H33B 109.5 . . ?
C16 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C17 C18 C2 120.0(4) . . ?
C17 C18 C34 117.4(4) . . ?
C2 C18 C34 122.6(4) . . ?
C1 C9 C29 122.7(4) . . ?
C10 C9 C1 119.3(4) . . ?
C10 C9 C29 118.0(4) . . ?
C26 C25 H25 118.8 . . ?
C26 C25 C24 122.4(4) . . ?
C24 C25 H25 118.8 . . ?
C47 C7 P2 117.8(3) . . ?
C47 C7 C49 109.8(3) . . ?
C47 C7 C48 108.5(3) . . ?
C49 C7 P2 108.3(3) . . ?
C49 C7 C48 106.7(3) . . ?
C48 C7 P2 105.2(3) . . ?
C25 C26 C27 117.4(4) . . ?
C25 C26 C39 121.7(4) . . ?
C27 C26 C39 120.9(4) . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C23 C37 H37A 109.5 . . ?
C23 C37 H37B 109.5 . . ?
C23 C37 H37C 109.5 . . ?
C44 C4 P1 106.8(3) . . ?
C44 C4 C45 106.0(3) . . ?
C45 C4 P1 108.7(3) . . ?
C46 C4 P1 116.7(3) . . ?
C46 C4 C44 108.7(4) . . ?
C46 C4 C45 109.4(3) . . ?
C7 C49 H49A 109.5 . . ?
C7 C49 H49B 109.5 . . ?
C7 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C1 C13 C31 122.4(4) . . ?
C12 C13 C1 118.8(4) . . ?
C12 C13 C31 118.8(4) . . ?
C14 C2 Bi1 129.2(3) . . ?
C14 C2 C18 118.7(4) . . ?
C18 C2 Bi1 111.8(3) . . ?
C22 C23 C37 117.0(4) . . ?
C5 C23 C22 119.7(4) . . ?
C5 C23 C37 123.3(4) . . ?
C7 C48 H48A 109.5 . . ?
C7 C48 H48B 109.5 . . ?
C7 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C28 C27 H27 118.8 . . ?
C26 C27 C28 122.4(4) . . ?
C26 C27 H27 118.8 . . ?
C3 C41 H41A 109.5 . . ?
C3 C41 H41B 109.5 . . ?
C3 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C14 C32 H32A 109.5 . . ?
C14 C32 H32B 109.5 . . ?
C14 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C4 C44 H44A 109.5 . . ?
C4 C44 H44B 109.5 . . ?
C4 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C13 C31 H31A 109.5 . . ?
C13 C31 H31B 109.5 . . ?
C13 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C4 C45 H45A 109.5 . . ?
C4 C45 H45B 109.5 . . ?
C4 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C8 C50 H50A 109.5 . . ?
C8 C50 H50B 109.5 . . ?
C8 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C11 C10 C9 122.3(4) . . ?
C11 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C8 C51 H51A 109.5 . . ?
C8 C51 H51B 109.5 . . ?
C8 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C11 C30 H30A 109.5 . . ?
C11 C30 H30B 109.5 . . ?
C11 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C39 H39A 109.5 . . ?
C26 C39 H39B 109.5 . . ?
C26 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C6 C24 C38 123.1(4) . . ?
C25 C24 C6 119.2(4) . . ?
C25 C24 C38 117.7(4) . . ?
C8 C52 H52A 109.5 . . ?
C8 C52 H52B 109.5 . . ?
C8 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C19 C20 H20 118.6 . . ?
C21 C20 C19 122.7(4) . . ?
C21 C20 H20 118.6 . . ?
C18 C34 H34A 109.5 . . ?
C18 C34 H34B 109.5 . . ?
C18 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C4 C46 H46A 109.5 . . ?
C4 C46 H46B 109.5 . . ?
C4 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C19 C35 H35A 109.5 . . ?
C19 C35 H35B 109.5 . . ?
C19 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C21 C36 H36A 109.5 . . ?
C21 C36 H36B 109.5 . . ?
C21 C36 H36C 109.5 . . ?
C22 C21 C20 117.9(4) . . ?
C22 C21 C36 120.6(5) . . ?
C20 C21 C36 121.5(5) . . ?
C24 C38 H38A 109.5 . . ?
C24 C38 H38B 109.5 . . ?
C24 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 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 P1 2.6723(10) . ?
Bi1 C1 2.275(4) . ?
Bi1 C2 2.299(4) . ?
Bi2 P2 2.6841(10) . ?
Bi2 C5 2.278(4) . ?
Bi2 C6 2.314(4) . ?
P1 C3 1.903(4) . ?
P1 C4 1.903(4) . ?
P2 C8 1.912(4) . ?
P2 C7 1.904(4) . ?
C1 C9 1.410(6) . ?
C1 C13 1.407(5) . ?
C17 H17 0.9300 . ?
C17 C16 1.393(6) . ?
C17 C18 1.393(6) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C42 C3 1.531(5) . ?
C14 C15 1.409(5) . ?
C14 C2 1.400(5) . ?
C14 C32 1.506(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.402(6) . ?
C22 C21 1.383(7) . ?
C8 C50 1.519(6) . ?
C8 C51 1.539(6) . ?
C8 C52 1.550(6) . ?
C11 C12 1.391(6) . ?
C11 C10 1.385(6) . ?
C11 C30 1.505(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.399(6) . ?
C5 C19 1.410(6) . ?
C5 C23 1.396(6) . ?
C16 C15 1.380(6) . ?
C16 C33 1.501(6) . ?
C28 C6 1.393(6) . ?
C28 C40 1.507(6) . ?
C28 C27 1.393(6) . ?
C19 C20 1.403(7) . ?
C19 C35 1.511(7) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29 C9 1.511(5) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C43 C3 1.547(5) . ?
C6 C24 1.415(6) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C47 C7 1.532(6) . ?
C15 H15 0.9300 . ?
C3 C41 1.525(6) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C18 C2 1.414(5) . ?
C18 C34 1.508(5) . ?
C9 C10 1.398(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.381(6) . ?
C25 C24 1.393(6) . ?
C7 C49 1.534(6) . ?
C7 C48 1.537(6) . ?
C26 C27 1.384(6) . ?
C26 C39 1.515(6) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C37 C23 1.505(6) . ?
C4 C44 1.543(6) . ?
C4 C45 1.547(6) . ?
C4 C46 1.536(6) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C13 C31 1.511(6) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C27 H27 0.9300 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C10 H10 0.9300 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C24 C38 1.501(6) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C20 H20 0.9300 . ?
C20 C21 1.384(7) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C21 1.514(7) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
