#------------------------------------------------------------------------------
#$Date: 2022-05-05 01:59:53 +0300 (Thu, 05 May 2022) $
#$Revision: 274901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/01/7710192.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_7710192
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         'C25 H40 As Bi Si'
_chemical_formula_sum            'C25 H40 As Bi Si'
_chemical_formula_weight         652.56
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Light-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     dual
_audit_creation_date             2021-10-11
_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                 98.745(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1538(3)
_cell_length_b                   8.4878(2)
_cell_length_c                   31.1727(10)
_cell_measurement_reflns_used    39217
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.03
_cell_volume                     2655.34(13)
_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    'XT (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 0.990
_diffrn_measured_fraction_theta_max 0.977
_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  0.0280
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            15324
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.976
_diffrn_reflns_theta_min         2.029
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.930
_exptl_absorpt_correction_T_max  0.0148
_exptl_absorpt_correction_T_min  0.0081
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   'LANA 1.83.8.0 (STOE, 2020)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_rad          0.1739
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         6248
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0342P)²+3.7667P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0669
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5369
_reflns_number_total             6248
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00472k2.cif
_cod_data_source_block           pcrx99
_cod_database_code               7710192
_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. Restrained distances
 Si1A-C21A \\sim Si1A-C22A \\sim Si1A-C20A
 with sigma of 0.02
 C23A-C3A \\sim C25A-C3A \\sim C3A-C24A
 with sigma of 0.02
 Si1B-C23B \\sim Si1B-C25B \\sim Si1B-C24B
 with sigma of 0.02
 C3B-C21B \\sim C3B-C22B \\sim C3B-C20B
 with sigma of 0.02
 As1B-C3B \\sim As1A-C3A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C3B) \\sim Ueq, Uanis(C3A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.02
Uanis(C21A) = Uanis(C22A) = Uanis(C20A)
Uanis(C23A) = Uanis(C25A) = Uanis(C24A)
Uanis(C23B) = Uanis(C25B) = Uanis(C24B)
Uanis(C21B) = Uanis(C22B) = Uanis(C20B)
4. Others
 Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C20B)=Sof(H20A)=Sof(H20B)=
 Sof(H20C)=Sof(C23B)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C25B)=Sof(H25A)=
 Sof(H25B)=Sof(H25C)=Sof(C22B)=Sof(H22A)=Sof(H22B)=Sof(H22C)=Sof(C21B)=
 Sof(H21A)=Sof(H21B)=Sof(H21C)=Sof(C3B)=Sof(Si1B)=Sof(As1B)=1-FVAR(1)
 Sof(Si1A)=Sof(C3A)=Sof(As1A)=Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=
 Sof(C20A)=Sof(H20D)=Sof(H20E)=Sof(H20F)=Sof(C22A)=Sof(H22D)=Sof(H22E)=
 Sof(H22F)=Sof(C23A)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C25A)=Sof(H25D)=
 Sof(H25E)=Sof(H25F)=Sof(C24B)=Sof(H24D)=Sof(H24E)=Sof(H24F)=FVAR(1)
5.a Me refined with riding coordinates:
 C21B(H21A,H21B,H21C)
5.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C5(H5), C10(H10), C12(H12)
5.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C24A(H24A,H24B,
 H24C), C20B(H20A,H20B,H20C), C14(H14A,H14B,H14C), C23B(H23A,H23B,H23C),
 C25B(H25A,H25B,H25C), C22B(H22A,H22B,H22C), C18(H18A,H18B,H18C), C15(H15A,H15B,
 H15C), C21A(H21D,H21E,H21F), C20A(H20D,H20E,H20F), C22A(H22D,H22E,H22F),
 C23A(H23D,H23E,H23F), C25A(H25D,H25E,H25F), C24B(H24D,H24E,H24F)
;
_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 0.38892(2) 0.37857(2) 0.63812(2) 0.02318(5) Uani 1 1 d . . . . .
Si1A Si 0.0365(6) 0.4352(6) 0.59053(14) 0.0219(14) Uani 0.601(5) 1 d D . P A 1
C3A C 0.2044(16) 0.766(3) 0.6351(7) 0.018(4) Uani 0.601(5) 1 d D U P A 1
C8 C 0.6220(4) 0.6459(4) 0.64631(12) 0.0242(7) Uani 1 1 d . . . . .
C2 C 0.5195(3) 0.2716(4) 0.59179(13) 0.0232(7) Uani 1 1 d . . . . .
C17 C 0.6612(4) 0.1680(5) 0.66054(13) 0.0298(8) Uani 1 1 d . . . . .
H17A H 0.684660 0.271996 0.673080 0.045 Uiso 1 1 calc GR . . . .
H17B H 0.736901 0.096215 0.667799 0.045 Uiso 1 1 calc GR . . . .
H17C H 0.584088 0.126519 0.672363 0.045 Uiso 1 1 calc GR . . . .
C16 C 0.5917(4) 0.6632(5) 0.59799(13) 0.0303(8) Uani 1 1 d . . . . .
H16A H 0.639850 0.754400 0.588884 0.045 Uiso 1 1 calc GR . . . .
H16B H 0.495716 0.678721 0.589345 0.045 Uiso 1 1 calc GR . . . .
H16C H 0.619779 0.567867 0.584123 0.045 Uiso 1 1 calc GR . . . .
C7 C 0.7274(4) 0.7325(5) 0.66850(14) 0.0293(8) Uani 1 1 d . . . . .
H7 H 0.775220 0.801790 0.652533 0.035 Uiso 1 1 calc R . . . .
C9 C 0.6273(4) 0.1822(4) 0.61197(13) 0.0243(7) Uani 1 1 d . . . . .
C5 C 0.6917(4) 0.6231(5) 0.73591(13) 0.0321(9) Uani 1 1 d . . . . .
H5 H 0.715356 0.615258 0.766517 0.038 Uiso 1 1 calc R . . . .
C11 C 0.6840(4) 0.1070(4) 0.54149(14) 0.0276(8) Uani 1 1 d . . . . .
C1 C 0.5496(4) 0.5454(4) 0.67008(12) 0.0231(7) Uani 1 1 d . . . . .
C19 C 0.3804(4) 0.3715(5) 0.52169(14) 0.0326(9) Uani 1 1 d . . . . .
H19A H 0.297137 0.345459 0.532393 0.049 Uiso 1 1 calc GR . . . .
H19B H 0.371712 0.346215 0.490709 0.049 Uiso 1 1 calc GR . . . .
H19C H 0.399099 0.484135 0.525941 0.049 Uiso 1 1 calc GR . . . .
C10 C 0.7077(4) 0.1025(4) 0.58618(14) 0.0272(8) Uani 1 1 d . . . . .
H10 H 0.781392 0.043107 0.600079 0.033 Uiso 1 1 calc R . . . .
C12 C 0.5749(4) 0.1951(4) 0.52208(13) 0.0266(8) Uani 1 1 d . . . . .
H12 H 0.555748 0.199297 0.491312 0.032 Uiso 1 1 calc R . . . .
C13 C 0.4934(4) 0.2767(4) 0.54642(13) 0.0244(7) Uani 1 1 d . . . . .
C24A C 0.311(2) 0.889(3) 0.6308(9) 0.0339(14) Uani 0.399(5) 1 d D . P A 1
H24A H 0.398601 0.838464 0.634527 0.051 Uiso 0.399(5) 1 calc GR . P A 1
H24B H 0.309859 0.970377 0.653137 0.051 Uiso 0.399(5) 1 calc GR . P A 1
H24C H 0.292912 0.937965 0.602020 0.051 Uiso 0.399(5) 1 calc GR . P A 1
C4 C 0.5840(4) 0.5354(5) 0.71517(13) 0.0284(8) Uani 1 1 d . . . . .
C20B C 0.0071(15) 0.416(2) 0.6373(6) 0.044(3) Uani 0.399(5) 1 d D . P A 2
H20A H 0.007930 0.517051 0.652411 0.066 Uiso 0.399(5) 1 calc GR . P A 2
H20B H 0.070062 0.343468 0.654235 0.066 Uiso 0.399(5) 1 calc GR . P A 2
H20C H -0.082724 0.370649 0.633966 0.066 Uiso 0.399(5) 1 calc GR . P A 2
C6 C 0.7649(4) 0.7214(5) 0.71288(14) 0.0324(9) Uani 1 1 d . . . . .
C14 C 0.5103(4) 0.4313(6) 0.74241(14) 0.0353(9) Uani 1 1 d . . . . .
H14A H 0.523593 0.320690 0.735092 0.053 Uiso 1 1 calc GR . . . .
H14B H 0.415001 0.456331 0.736737 0.053 Uiso 1 1 calc GR . . . .
H14C H 0.544115 0.448806 0.773190 0.053 Uiso 1 1 calc GR . . . .
C23B C 0.0465(14) 0.8806(15) 0.6274(5) 0.0327(17) Uani 0.399(5) 1 d D . P A 2
H23A H -0.027686 0.815205 0.633835 0.049 Uiso 0.399(5) 1 calc GR . P A 2
H23B H 0.033183 0.906654 0.596457 0.049 Uiso 0.399(5) 1 calc GR . P A 2
H23C H 0.050019 0.977932 0.644509 0.049 Uiso 0.399(5) 1 calc GR . P A 2
C25B C 0.2186(15) 0.7128(17) 0.6980(4) 0.0327(17) Uani 0.399(5) 1 d D . P A 2
H25A H 0.200155 0.803116 0.715745 0.049 Uiso 0.399(5) 1 calc GR . P A 2
H25B H 0.309274 0.674653 0.707808 0.049 Uiso 0.399(5) 1 calc GR . P A 2
H25C H 0.154705 0.628386 0.700925 0.049 Uiso 0.399(5) 1 calc GR . P A 2
C22B C -0.0737(13) 0.528(2) 0.5626(6) 0.044(3) Uani 0.399(5) 1 d D . P A 2
H22A H -0.152805 0.460615 0.560596 0.066 Uiso 0.399(5) 1 calc GR . P A 2
H22B H -0.053148 0.548653 0.533413 0.066 Uiso 0.399(5) 1 calc GR . P A 2
H22C H -0.091037 0.627926 0.576491 0.066 Uiso 0.399(5) 1 calc GR . P A 2
C18 C 0.7703(4) 0.0205(5) 0.51405(15) 0.0361(10) Uani 1 1 d . . . . .
H18A H 0.830855 0.095146 0.503072 0.054 Uiso 1 1 calc GR . . . .
H18B H 0.713899 -0.029853 0.489570 0.054 Uiso 1 1 calc GR . . . .
H18C H 0.822381 -0.060100 0.531658 0.054 Uiso 1 1 calc GR . . . .
C21B C 0.066(2) 0.271(2) 0.5705(8) 0.044(3) Uani 0.399(5) 1 d D . P A 2
H21A H 0.092173 0.282781 0.541678 0.066 Uiso 0.399(5) 1 calc R . P A 2
H21B H 0.134822 0.212435 0.589399 0.066 Uiso 0.399(5) 1 calc R . P A 2
H21C H -0.018789 0.214507 0.568023 0.066 Uiso 0.399(5) 1 calc R . P A 2
C15 C 0.8798(5) 0.8183(6) 0.73614(17) 0.0466(12) Uani 1 1 d . . . . .
H15A H 0.929315 0.865578 0.714749 0.070 Uiso 1 1 calc GR . . . .
H15B H 0.939360 0.750034 0.755685 0.070 Uiso 1 1 calc GR . . . .
H15C H 0.844880 0.901748 0.752990 0.070 Uiso 1 1 calc GR . . . .
C3B C 0.049(3) 0.442(3) 0.5908(6) 0.016(7) Uani 0.399(5) 1 d D U P A 2
Si1B Si 0.2031(7) 0.7725(14) 0.6415(3) 0.0228(17) Uani 0.399(5) 1 d D . P A 2
As1A As 0.2274(5) 0.6024(4) 0.59129(16) 0.0212(4) Uani 0.601(5) 1 d D . P A 1
As1B As 0.2119(8) 0.5692(6) 0.5885(3) 0.0237(7) Uani 0.399(5) 1 d D . P A 2
C21A C 0.0755(15) 0.2458(14) 0.5660(5) 0.0324(13) Uani 0.601(5) 1 d D . P A 1
H21D H 0.087960 0.263318 0.535761 0.049 Uiso 0.601(5) 1 calc GR . P A 1
H21E H 0.001774 0.171896 0.566792 0.049 Uiso 0.601(5) 1 calc GR . P A 1
H21F H 0.157328 0.201921 0.582293 0.049 Uiso 0.601(5) 1 calc GR . P A 1
C20A C -0.0151(10) 0.3932(13) 0.6434(3) 0.0324(13) Uani 0.601(5) 1 d D . P A 1
H20D H 0.062171 0.357832 0.663814 0.049 Uiso 0.601(5) 1 calc GR . P A 1
H20E H -0.083161 0.310354 0.639903 0.049 Uiso 0.601(5) 1 calc GR . P A 1
H20F H -0.051898 0.488902 0.654520 0.049 Uiso 0.601(5) 1 calc GR . P A 1
C22A C -0.1058(8) 0.5216(12) 0.5538(3) 0.0324(13) Uani 0.601(5) 1 d D . P A 1
H22D H -0.132761 0.620492 0.566151 0.049 Uiso 0.601(5) 1 calc GR . P A 1
H22E H -0.180784 0.447593 0.550348 0.049 Uiso 0.601(5) 1 calc GR . P A 1
H22F H -0.079213 0.542379 0.525375 0.049 Uiso 0.601(5) 1 calc GR . P A 1
C23A C 0.0653(10) 0.8424(10) 0.6214(3) 0.0339(14) Uani 0.601(5) 1 d D . P A 1
H23D H 0.057320 0.936532 0.639044 0.051 Uiso 0.601(5) 1 calc GR . P A 1
H23E H -0.004204 0.766632 0.625838 0.051 Uiso 0.601(5) 1 calc GR . P A 1
H23F H 0.054980 0.871995 0.590697 0.051 Uiso 0.601(5) 1 calc GR . P A 1
C25A C 0.2185(10) 0.7100(11) 0.6829(3) 0.0339(14) Uani 0.601(5) 1 d D . P A 1
H25D H 0.306964 0.663704 0.691515 0.051 Uiso 0.601(5) 1 calc GR . P A 1
H25E H 0.150067 0.630779 0.685685 0.051 Uiso 0.601(5) 1 calc GR . P A 1
H25F H 0.207299 0.799890 0.701778 0.051 Uiso 0.601(5) 1 calc GR . P A 1
C24B C 0.3313(11) 0.9085(15) 0.6337(5) 0.0327(17) Uani 0.601(5) 1 d D . P A 2
H24D H 0.326296 0.931579 0.602736 0.049 Uiso 0.601(5) 1 calc GR . P A 2
H24E H 0.418482 0.862541 0.644737 0.049 Uiso 0.601(5) 1 calc GR . P A 2
H24F H 0.319678 1.006218 0.649504 0.049 Uiso 0.601(5) 1 calc GR . P A 2
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'
As As 0.0499 2.0058 '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'
Si Si 0.0817 0.0704 '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
C2 Bi1 As1A 106.98(14) . . ?
C2 Bi1 As1B 105.8(2) . . ?
C1 Bi1 C2 94.46(13) . . ?
C1 Bi1 As1A 97.56(12) . . ?
C1 Bi1 As1B 104.29(14) . . ?
C21A Si1A As1A 107.2(6) . . ?
C21A Si1A C22A 106.5(7) . . ?
C20A Si1A As1A 116.5(4) . . ?
C20A Si1A C21A 108.1(7) . . ?
C20A Si1A C22A 109.2(6) . . ?
C22A Si1A As1A 109.0(4) . . ?
C24A C3A As1A 105.0(15) . . ?
C24A C3A C23A 108.7(17) . . ?
C24A C3A C25A 109.5(18) . . ?
C23A C3A As1A 107.3(12) . . ?
C25A C3A As1A 116.1(14) . . ?
C25A C3A C23A 109.9(14) . . ?
C7 C8 C16 118.2(4) . . ?
C7 C8 C1 118.8(4) . . ?
C1 C8 C16 123.0(3) . . ?
C9 C2 Bi1 114.8(3) . . ?
C13 C2 Bi1 125.9(3) . . ?
C13 C2 C9 119.1(3) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C9 C17 H17A 109.5 . . ?
C9 C17 H17B 109.5 . . ?
C9 C17 H17C 109.5 . . ?
C8 C16 H16A 109.5 . . ?
C8 C16 H16B 109.5 . . ?
C8 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8 C7 H7 118.8 . . ?
C6 C7 C8 122.4(4) . . ?
C6 C7 H7 118.8 . . ?
C2 C9 C17 122.6(3) . . ?
C2 C9 C10 119.1(4) . . ?
C10 C9 C17 118.2(3) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C6 C5 C4 121.6(4) . . ?
C10 C11 C12 117.3(4) . . ?
C10 C11 C18 122.2(4) . . ?
C12 C11 C18 120.5(4) . . ?
C8 C1 Bi1 123.0(3) . . ?
C4 C1 Bi1 117.1(3) . . ?
C4 C1 C8 119.7(4) . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
C9 C10 H10 118.7 . . ?
C11 C10 C9 122.6(4) . . ?
C11 C10 H10 118.7 . . ?
C11 C12 H12 119.0 . . ?
C13 C12 C11 122.0(4) . . ?
C13 C12 H12 119.0 . . ?
C2 C13 C19 122.9(3) . . ?
C12 C13 C2 120.0(3) . . ?
C12 C13 C19 117.1(4) . . ?
C3A C24A H24A 109.5 . . ?
C3A C24A H24B 109.5 . . ?
C3A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C5 C4 C1 119.4(4) . . ?
C5 C4 C14 118.3(4) . . ?
C1 C4 C14 122.3(4) . . ?
H20A C20B H20B 109.5 . . ?
H20A C20B H20C 109.5 . . ?
H20B C20B H20C 109.5 . . ?
C3B C20B H20A 109.5 . . ?
C3B C20B H20B 109.5 . . ?
C3B C20B H20C 109.5 . . ?
C7 C6 C5 118.1(4) . . ?
C7 C6 C15 121.1(4) . . ?
C5 C6 C15 120.8(4) . . ?
C4 C14 H14A 109.5 . . ?
C4 C14 H14B 109.5 . . ?
C4 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H23A C23B H23B 109.5 . . ?
H23A C23B H23C 109.5 . . ?
H23B C23B H23C 109.5 . . ?
Si1B C23B H23A 109.5 . . ?
Si1B C23B H23B 109.5 . . ?
Si1B C23B H23C 109.5 . . ?
H25A C25B H25B 109.5 . . ?
H25A C25B H25C 109.5 . . ?
H25B C25B H25C 109.5 . . ?
Si1B C25B H25A 109.5 . . ?
Si1B C25B H25B 109.5 . . ?
Si1B C25B H25C 109.5 . . ?
H22A C22B H22B 109.5 . . ?
H22A C22B H22C 109.5 . . ?
H22B C22B H22C 109.5 . . ?
C3B C22B H22A 109.5 . . ?
C3B C22B H22B 109.5 . . ?
C3B C22B H22C 109.5 . . ?
C11 C18 H18A 109.5 . . ?
C11 C18 H18B 109.5 . . ?
C11 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
H21A C21B H21B 109.5 . . ?
H21A C21B H21C 109.5 . . ?
H21B C21B H21C 109.5 . . ?
C3B C21B H21A 109.5 . . ?
C3B C21B H21B 109.5 . . ?
C3B C21B H21C 109.5 . . ?
C6 C15 H15A 109.5 . . ?
C6 C15 H15B 109.5 . . ?
C6 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C20B C3B C22B 105.5(17) . . ?
C20B C3B C21B 107(2) . . ?
C20B C3B As1B 116.7(15) . . ?
C22B C3B C21B 109(2) . . ?
C22B C3B As1B 108.5(14) . . ?
C21B C3B As1B 110.0(17) . . ?
C23B Si1B As1B 108.5(6) . . ?
C25B Si1B C23B 108.4(9) . . ?
C25B Si1B As1B 117.4(7) . . ?
C24B Si1B C23B 105.6(9) . . ?
C24B Si1B C25B 110.8(10) . . ?
C24B Si1B As1B 105.5(7) . . ?
Si1A As1A Bi1 90.70(16) . . ?
C3A As1A Bi1 103.9(4) . . ?
C3A As1A Si1A 104.0(6) . . ?
C3B As1B Bi1 97.8(6) . . ?
C3B As1B Si1B 104.5(7) . . ?
Si1B As1B Bi1 97.3(3) . . ?
Si1A C21A H21D 109.5 . . ?
Si1A C21A H21E 109.5 . . ?
Si1A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
Si1A C20A H20D 109.5 . . ?
Si1A C20A H20E 109.5 . . ?
Si1A C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
Si1A C22A H22D 109.5 . . ?
Si1A C22A H22E 109.5 . . ?
Si1A C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
C3A C23A H23D 109.5 . . ?
C3A C23A H23E 109.5 . . ?
C3A C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C3A C25A H25D 109.5 . . ?
C3A C25A H25E 109.5 . . ?
C3A C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
Si1B C24B H24D 109.5 . . ?
Si1B C24B H24E 109.5 . . ?
Si1B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 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 C2 2.291(4) . ?
Bi1 C1 2.273(4) . ?
Bi1 As1A 2.776(5) . ?
Bi1 As1B 2.719(8) . ?
Si1A As1A 2.399(8) . ?
Si1A C21A 1.849(9) . ?
Si1A C20A 1.837(9) . ?
Si1A C22A 1.854(9) . ?
C3A C24A 1.523(17) . ?
C3A As1A 1.99(3) . ?
C3A C23A 1.552(16) . ?
C3A C25A 1.551(16) . ?
C8 C16 1.498(5) . ?
C8 C7 1.392(6) . ?
C8 C1 1.408(5) . ?
C2 C9 1.400(5) . ?
C2 C13 1.399(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C9 1.506(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C7 H7 0.9500 . ?
C7 C6 1.381(6) . ?
C9 C10 1.404(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.398(6) . ?
C5 C6 1.388(6) . ?
C11 C10 1.378(6) . ?
C11 C12 1.396(5) . ?
C11 C18 1.506(6) . ?
C1 C4 1.398(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 C13 1.513(5) . ?
C10 H10 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.390(5) . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C4 C14 1.502(6) . ?
C20B H20A 0.9800 . ?
C20B H20B 0.9800 . ?
C20B H20C 0.9800 . ?
C20B C3B 1.590(19) . ?
C6 C15 1.518(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C23B H23A 0.9800 . ?
C23B H23B 0.9800 . ?
C23B H23C 0.9800 . ?
C23B Si1B 1.831(13) . ?
C25B H25A 0.9800 . ?
C25B H25B 0.9800 . ?
C25B H25C 0.9800 . ?
C25B Si1B 1.816(13) . ?
C22B H22A 0.9800 . ?
C22B H22B 0.9800 . ?
C22B H22C 0.9800 . ?
C22B C3B 1.593(19) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C21B H21A 0.9800 . ?
C21B H21B 0.9800 . ?
C21B H21C 0.9800 . ?
C21B C3B 1.596(19) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C3B As1B 1.98(3) . ?
Si1B As1B 2.400(15) . ?
Si1B C24B 1.784(10) . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C25A H25D 0.9800 . ?
C25A H25E 0.9800 . ?
C25A H25F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
