#------------------------------------------------------------------------------
#$Date: 2021-07-05 21:11:31 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267231 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/80/7158067.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_7158067
loop_
_publ_author_name
'Magre, Marc'
'Kuziola, Jennifer'
'Nöthling, Nils'
'Cornella, Josep'
_publ_section_title
;
 Dibismuthanes in catalysis: from synthesis and characterization to redox
 behavior towards oxidative cleavage of 1,2-diols.
;
_journal_issue                   22
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              4922
_journal_page_last               4929
_journal_paper_doi               10.1039/d1ob00367d
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C36 H28 Bi2 O'
_chemical_formula_sum            'C36 H28 Bi2 O'
_chemical_formula_weight         894.54
_chemical_name_systematic
;
(oxybis(2,1-phenylene))bis(diphenylbismuthane)
;
_chemical_properties_physical    none
_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
_atom_sites_solution_secondary   difmap
_audit_block_code                KUJ-KA-190-01
_audit_creation_date             2020-10-02
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2021-02-19 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.997(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0777(7)
_cell_length_b                   17.8599(11)
_cell_length_c                   15.0585(9)
_cell_measurement_reflns_used    9287
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.8966
_cell_measurement_theta_min      2.5028
_cell_volume                     2975.2(3)
_computing_cell_refinement       'SAINT software (Bruker AXS, 2004)'
_computing_data_collection       'APEX3 (Bruker AXS, 2005-2017)'
_computing_data_reduction        'SAINT software (Bruker AXS, 2004)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact GbR, 1997-2014)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (G. M. Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (G. M. Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 66.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker-AXS Kappa Mach3 APEX-II'
_diffrn_measurement_method       'CCD φ- and ω-scans'
_diffrn_radiation_monochromator  'Incoatec Helios mirrors'
_diffrn_radiation_source         1\mS
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            116047
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.337
_diffrn_reflns_theta_min         1.770
_diffrn_source_current           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.840
_exptl_absorpt_correction_T_max  0.85677
_exptl_absorpt_correction_T_min  0.60899
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2012)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.997
_exptl_crystal_description       needle
_exptl_crystal_F_000             1672
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent:  diethylether, pentane'
_exptl_crystal_size_max          0.056
_exptl_crystal_size_mid          0.041
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.932
_refine_diff_density_min         -1.241
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         12473
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0187
_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)+(0.0082P)²+3.2267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0330
_refine_ls_wR_factor_ref         0.0344
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10883
_reflns_number_total             12473
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob00367d2.cif
_cod_data_source_block           13443sadabs
_cod_depositor_comments
'Adding full bibliography for 7158061--7158068.cif.'
_cod_database_code               7158067
_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_max   0.798
_shelx_estimated_absorpt_t_min   0.557
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
;
_olex2_submission_special_instructions 'No special instructions were received'
_shelx_shelxl_version_number     2018/3
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 0.52498(2) 0.36895(2) 0.38431(2) 0.01319(2) Uani 1 1 d . . . . .
Bi2 Bi 0.99693(2) 0.41459(2) 0.31949(2) 0.01414(2) Uani 1 1 d . . . . .
O1 O 0.80205(12) 0.32365(8) 0.41955(9) 0.0178(3) Uani 1 1 d . . . . .
C1 C 0.63546(16) 0.34067(10) 0.51047(11) 0.0129(3) Uani 1 1 d . . . . .
C2 C 0.75736(17) 0.32553(10) 0.50477(12) 0.0145(3) Uani 1 1 d . . . . .
C3 C 0.83489(18) 0.31749(11) 0.58012(13) 0.0187(4) Uani 1 1 d . . . . .
H3 H 0.918153 0.306819 0.574484 0.022 Uiso 1 1 calc R U . . .
C4 C 0.78839(18) 0.32533(11) 0.66381(13) 0.0189(4) Uani 1 1 d . . . . .
H4 H 0.840218 0.320323 0.715746 0.023 Uiso 1 1 calc R U . . .
C5 C 0.66647(18) 0.34046(11) 0.67143(12) 0.0185(4) Uani 1 1 d . . . . .
H5 H 0.634737 0.345599 0.728514 0.022 Uiso 1 1 calc R U . . .
C6 C 0.59085(17) 0.34808(11) 0.59525(12) 0.0166(3) Uani 1 1 d . . . . .
H6 H 0.507497 0.358491 0.600898 0.020 Uiso 1 1 calc R U . . .
C7 C 0.98076(16) 0.29190(10) 0.34823(11) 0.0134(3) Uani 1 1 d . . . . .
C8 C 0.88768(17) 0.26932(11) 0.40049(12) 0.0155(3) Uani 1 1 d . . . . .
C9 C 0.8772(2) 0.19640(12) 0.42970(14) 0.0236(4) Uani 1 1 d . . . . .
H9 H 0.812515 0.182228 0.465178 0.028 Uiso 1 1 calc R U . . .
C10 C 0.9628(2) 0.14414(12) 0.40628(16) 0.0277(5) Uani 1 1 d . . . . .
H10 H 0.957269 0.093929 0.426480 0.033 Uiso 1 1 calc R U . . .
C11 C 1.0564(2) 0.16470(12) 0.35364(14) 0.0232(4) Uani 1 1 d . . . . .
H11 H 1.114341 0.128604 0.337554 0.028 Uiso 1 1 calc R U . . .
C12 C 1.06520(17) 0.23812(11) 0.32453(12) 0.0173(4) Uani 1 1 d . . . . .
H12 H 1.129096 0.252007 0.288188 0.021 Uiso 1 1 calc R U . . .
C13 C 0.47146(17) 0.25142(10) 0.34570(11) 0.0147(3) Uani 1 1 d . . . . .
C14 C 0.49873(18) 0.18842(11) 0.39798(12) 0.0179(4) Uani 1 1 d . . . . .
H14 H 0.548016 0.193387 0.451207 0.022 Uiso 1 1 calc R U . . .
C15 C 0.4539(2) 0.11827(11) 0.37236(13) 0.0213(4) Uani 1 1 d . . . . .
H15 H 0.472336 0.075752 0.408479 0.026 Uiso 1 1 calc R U . . .
C16 C 0.38240(19) 0.11020(12) 0.29424(13) 0.0205(4) Uani 1 1 d . . . . .
H16 H 0.352275 0.062336 0.276711 0.025 Uiso 1 1 calc R U . . .
C17 C 0.35551(18) 0.17260(12) 0.24222(13) 0.0208(4) Uani 1 1 d . . . . .
H17 H 0.306559 0.167451 0.188863 0.025 Uiso 1 1 calc R U . . .
C18 C 0.39966(17) 0.24266(12) 0.26757(12) 0.0178(4) Uani 1 1 d . . . . .
H18 H 0.380722 0.285014 0.231301 0.021 Uiso 1 1 calc R U . . .
C19 C 0.35553(16) 0.38575(10) 0.45928(12) 0.0140(3) Uani 1 1 d . . . . .
C20 C 0.27870(17) 0.32694(10) 0.47847(12) 0.0161(3) Uani 1 1 d . . . . .
H20 H 0.296663 0.277654 0.459443 0.019 Uiso 1 1 calc R U . . .
C21 C 0.17567(17) 0.33986(11) 0.52539(13) 0.0173(4) Uani 1 1 d . . . . .
H21 H 0.123764 0.299353 0.538146 0.021 Uiso 1 1 calc R U . . .
C22 C 0.14840(18) 0.41153(11) 0.55359(13) 0.0199(4) Uani 1 1 d . . . . .
H22 H 0.078325 0.420196 0.585879 0.024 Uiso 1 1 calc R U . . .
C23 C 0.2242(2) 0.47038(11) 0.53430(15) 0.0235(4) Uani 1 1 d . . . . .
H23 H 0.205951 0.519617 0.553362 0.028 Uiso 1 1 calc R U . . .
C24 C 0.32712(18) 0.45758(11) 0.48700(14) 0.0204(4) Uani 1 1 d . . . . .
H24 H 0.378272 0.498292 0.473600 0.024 Uiso 1 1 calc R U . . .
C25 C 0.85672(17) 0.41375(10) 0.20595(12) 0.0156(3) Uani 1 1 d . . . . .
C26 C 0.75583(18) 0.36739(11) 0.20206(13) 0.0188(4) Uani 1 1 d . . . . .
H26 H 0.745372 0.331745 0.247853 0.023 Uiso 1 1 calc R U . . .
C27 C 0.6698(2) 0.37287(12) 0.13132(14) 0.0241(4) Uani 1 1 d . . . . .
H27 H 0.601359 0.340777 0.128629 0.029 Uiso 1 1 calc R U . . .
C28 C 0.6847(2) 0.42535(12) 0.06494(14) 0.0262(5) Uani 1 1 d . . . . .
H28 H 0.625300 0.429904 0.017447 0.031 Uiso 1 1 calc R U . . .
C29 C 0.7854(2) 0.47104(12) 0.06742(15) 0.0264(5) Uani 1 1 d . . . . .
H29 H 0.795975 0.506305 0.021246 0.032 Uiso 1 1 calc R U . . .
C30 C 0.8708(2) 0.46518(11) 0.13759(14) 0.0223(4) Uani 1 1 d . . . . .
H30 H 0.940040 0.496657 0.139164 0.027 Uiso 1 1 calc R U . . .
C31 C 1.14771(17) 0.40599(10) 0.22528(12) 0.0153(3) Uani 1 1 d . . . . .
C32 C 1.13934(18) 0.36320(11) 0.14773(13) 0.0184(4) Uani 1 1 d . . . . .
H32 H 1.069569 0.333412 0.134820 0.022 Uiso 1 1 calc R U . . .
C33 C 1.2326(2) 0.36378(12) 0.08897(14) 0.0242(4) Uani 1 1 d . . . . .
H33 H 1.226371 0.334437 0.036312 0.029 Uiso 1 1 calc R U . . .
C34 C 1.3346(2) 0.40735(14) 0.10764(15) 0.0278(5) Uani 1 1 d . . . . .
H34 H 1.398322 0.407535 0.067839 0.033 Uiso 1 1 calc R U . . .
C35 C 1.3436(2) 0.45052(14) 0.18403(15) 0.0287(5) Uani 1 1 d . . . . .
H35 H 1.413490 0.480320 0.196617 0.034 Uiso 1 1 calc R U . . .
C36 C 1.25012(19) 0.45018(12) 0.24247(14) 0.0216(4) Uani 1 1 d . . . . .
H36 H 1.256170 0.480321 0.294497 0.026 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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 0.00 1.00 0.0100
0.00 -1.00 1.00 0.0050
0.00 1.00 -1.00 0.0100
-1.00 -1.00 -1.00 0.0150
0.00 -1.00 -1.00 0.0050
0.00 1.00 1.00 0.0150
-1.00 1.00 1.00 0.0250
1.00 0.00 0.00 0.0200
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
C13 Bi1 C1 97.61(6) . . ?
C13 Bi1 C19 92.20(7) . . ?
C19 Bi1 C1 92.13(6) . . ?
C7 Bi2 C25 94.66(7) . . ?
C7 Bi2 C31 97.14(7) . . ?
C25 Bi2 C31 91.50(7) . . ?
C8 O1 C2 118.78(14) . . ?
C2 C1 Bi1 118.57(12) . . ?
C2 C1 C6 117.86(16) . . ?
C6 C1 Bi1 122.94(13) . . ?
C1 C2 O1 117.03(16) . . ?
C1 C2 C3 122.08(17) . . ?
C3 C2 O1 120.75(16) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 118.99(18) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.12(18) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.83(18) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 119.4 . . ?
C5 C6 C1 121.13(18) . . ?
C5 C6 H6 119.4 . . ?
C8 C7 Bi2 117.52(13) . . ?
C8 C7 C12 118.09(17) . . ?
C12 C7 Bi2 124.06(13) . . ?
C7 C8 O1 116.54(16) . . ?
C9 C8 O1 121.33(17) . . ?
C9 C8 C7 122.10(17) . . ?
C8 C9 H9 120.6 . . ?
C8 C9 C10 118.84(19) . . ?
C10 C9 H9 120.6 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.53(19) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.85(18) . . ?
C12 C11 H11 120.1 . . ?
C7 C12 H12 119.7 . . ?
C11 C12 C7 120.59(18) . . ?
C11 C12 H12 119.7 . . ?
C14 C13 Bi1 124.02(13) . . ?
C18 C13 Bi1 116.99(14) . . ?
C18 C13 C14 118.83(18) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.28(17) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.39(19) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.3 . . ?
C17 C16 C15 119.39(19) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.45(18) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 119.7 . . ?
C17 C18 C13 120.66(18) . . ?
C17 C18 H18 119.7 . . ?
C20 C19 Bi1 122.43(13) . . ?
C24 C19 Bi1 118.65(14) . . ?
C24 C19 C20 118.92(17) . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.44(17) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.38(18) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.47(18) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.22(18) . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 120.57(19) . . ?
C19 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 Bi2 123.91(14) . . ?
C26 C25 C30 118.84(18) . . ?
C30 C25 Bi2 117.20(14) . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.39(19) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.7(2) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.43(19) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.6(2) . . ?
C30 C29 H29 120.2 . . ?
C25 C30 H30 119.5 . . ?
C29 C30 C25 120.9(2) . . ?
C29 C30 H30 119.5 . . ?
C32 C31 Bi2 123.08(14) . . ?
C32 C31 C36 118.90(18) . . ?
C36 C31 Bi2 117.84(14) . . ?
C31 C32 H32 119.7 . . ?
C31 C32 C33 120.53(19) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 120.1 . . ?
C34 C33 C32 119.8(2) . . ?
C34 C33 H33 120.1 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(2) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 120.1 . . ?
C34 C35 C36 119.9(2) . . ?
C36 C35 H35 120.1 . . ?
C31 C36 H36 119.7 . . ?
C35 C36 C31 120.6(2) . . ?
C35 C36 H36 119.7 . . ?
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 2.2624(17) . ?
Bi1 C13 2.2494(19) . ?
Bi1 C19 2.2605(18) . ?
Bi2 C7 2.2426(18) . ?
Bi2 C25 2.2491(18) . ?
Bi2 C31 2.2525(19) . ?
O1 C2 1.400(2) . ?
O1 C8 1.397(2) . ?
C1 C2 1.384(3) . ?
C1 C6 1.399(2) . ?
C2 C3 1.394(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.393(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.388(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.391(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.389(3) . ?
C7 C12 1.400(3) . ?
C8 C9 1.381(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.390(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.397(3) . ?
C13 C18 1.394(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.395(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.390(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(3) . ?
C19 C24 1.390(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.395(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(3) . ?
C25 C30 1.395(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.395(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.386(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.380(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.385(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.395(3) . ?
C31 C36 1.395(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.395(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.388(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.384(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.394(3) . ?
C36 H36 0.9500 . ?
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
Bi1 C1 C2 O1 -4.4(2) . . . . ?
Bi1 C1 C2 C3 171.28(14) . . . . ?
Bi1 C1 C6 C5 -170.72(15) . . . . ?
Bi1 C13 C14 C15 174.92(15) . . . . ?
Bi1 C13 C18 C17 -175.42(14) . . . . ?
Bi1 C19 C20 C21 179.56(14) . . . . ?
Bi1 C19 C24 C23 -179.28(16) . . . . ?
Bi2 C7 C8 O1 9.1(2) . . . . ?
Bi2 C7 C8 C9 -173.18(16) . . . . ?
Bi2 C7 C12 C11 172.42(15) . . . . ?
Bi2 C25 C26 C27 176.81(15) . . . . ?
Bi2 C25 C30 C29 -176.69(16) . . . . ?
Bi2 C31 C32 C33 175.86(14) . . . . ?
Bi2 C31 C36 C35 -176.45(15) . . . . ?
O1 C2 C3 C4 175.18(17) . . . . ?
O1 C8 C9 C10 177.9(2) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C2 O1 C8 C7 -140.59(17) . . . . ?
C2 O1 C8 C9 41.7(3) . . . . ?
C2 C1 C6 C5 0.0(3) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C3 C4 C5 C6 -0.3(3) . . . . ?
C4 C5 C6 C1 0.1(3) . . . . ?
C6 C1 C2 O1 -175.53(16) . . . . ?
C6 C1 C2 C3 0.2(3) . . . . ?
C7 C8 C9 C10 0.3(3) . . . . ?
C8 O1 C2 C1 -140.75(17) . . . . ?
C8 O1 C2 C3 43.5(3) . . . . ?
C8 C7 C12 C11 -0.8(3) . . . . ?
C8 C9 C10 C11 -0.7(4) . . . . ?
C9 C10 C11 C12 0.4(4) . . . . ?
C10 C11 C12 C7 0.4(3) . . . . ?
C12 C7 C8 O1 -177.23(16) . . . . ?
C12 C7 C8 C9 0.5(3) . . . . ?
C13 C14 C15 C16 0.5(3) . . . . ?
C14 C13 C18 C17 0.3(3) . . . . ?
C14 C15 C16 C17 -0.3(3) . . . . ?
C15 C16 C17 C18 0.1(3) . . . . ?
C16 C17 C18 C13 -0.1(3) . . . . ?
C18 C13 C14 C15 -0.4(3) . . . . ?
C19 C20 C21 C22 0.0(3) . . . . ?
C20 C19 C24 C23 0.8(3) . . . . ?
C20 C21 C22 C23 0.4(3) . . . . ?
C21 C22 C23 C24 -0.1(3) . . . . ?
C22 C23 C24 C19 -0.5(3) . . . . ?
C24 C19 C20 C21 -0.6(3) . . . . ?
C25 C26 C27 C28 -0.5(3) . . . . ?
C26 C25 C30 C29 0.9(3) . . . . ?
C26 C27 C28 C29 1.4(3) . . . . ?
C27 C28 C29 C30 -1.1(3) . . . . ?
C28 C29 C30 C25 0.0(3) . . . . ?
C30 C25 C26 C27 -0.6(3) . . . . ?
C31 C32 C33 C34 -0.1(3) . . . . ?
C32 C31 C36 C35 -1.2(3) . . . . ?
C32 C33 C34 C35 -0.4(3) . . . . ?
C33 C34 C35 C36 0.1(3) . . . . ?
C34 C35 C36 C31 0.7(3) . . . . ?
C36 C31 C32 C33 0.9(3) . . . . ?
