# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bitcpe
_database_code_depnum_ccdc_archive 'CCDC 2443648'
loop_
_audit_author_name
_audit_author_address
'junpu yang'
;Xian Jiaotong University
China
;
_audit_update_record             
;
2025-04-14 deposited with the CCDC.	2025-05-16 downloaded from the CCDC.
;
_audit_creation_date             2025-04-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H23 Bi2 N O10'
_chemical_formula_sum            'C33 H23 Bi2 N O10'
_chemical_formula_weight         1011.48
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.032(4)
_cell_length_b                   12.390(4)
_cell_length_c                   14.370(4)
_cell_angle_alpha                85.718(11)
_cell_angle_beta                 73.575(10)
_cell_angle_gamma                70.606(12)
_cell_volume                     1776.7(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7779
_cell_measurement_temperature    293.00
_cell_measurement_theta_max      25.027
_cell_measurement_theta_min      2.035
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.944
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             948
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29083
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.035
_diffrn_ambient_temperature      293.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4679
_reflns_number_total             6229
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.698
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         6229
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0418
_refine_ls_restrained_S_all      1.013
_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)+(0.0626P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1080
_refine_special_details          ?
_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:
 C1(H1), C6(H6), C7(H7), C9(H9), C10(H10), C13(H13), C14(H14), C17(H17),
 C18(H18), C21(H21), C22(H22), C24(H24), C25(H25), C28(H28), C29(H29), C31(H31),
  C32(H32)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.40835(4) 0.14459(3) 1.03552(2) 0.02707(12) Uani 1 1 d . . . . .
Bi2 Bi 0.22749(4) -0.02095(3) 0.95219(2) 0.02548(12) Uani 1 1 d . . . . .
O1 O 0.4105(6) -0.0007(5) 0.9591(4) 0.0248(14) Uani 1 1 d . . . . .
O2 O 0.3434(8) 0.0786(7) 1.2087(5) 0.053(2) Uani 1 1 d . . . . .
O3 O 0.5400(8) 0.1912(6) 0.8981(4) 0.0416(19) Uani 1 1 d . . . . .
O4 O 0.7540(8) 0.1390(7) 0.9028(5) 0.049(2) Uani 1 1 d . . . . .
O5 O 0.9830(8) 0.0635(8) 0.1056(5) 0.060(3) Uani 1 1 d . . . . .
O6 O 1.1609(7) 0.1161(6) 0.0753(4) 0.0357(17) Uani 1 1 d . . . . .
O7 O 0.7315(10) 0.7522(8) 0.0777(6) 0.065(3) Uani 1 1 d . . . . .
O8 O 0.8063(9) 0.8650(7) 0.1426(5) 0.051(2) Uani 1 1 d . . . . .
O9 O 0.3555(9) 0.8983(8) 0.7859(5) 0.052(2) Uani 1 1 d . . . . .
O10 O 0.4453(9) 0.7805(7) 0.8884(5) 0.050(2) Uani 1 1 d . . . . .
N1 N 0.3747(11) -0.0027(8) 1.3478(6) 0.050(3) Uani 1 1 d . . . . .
C1 C 0.4108(12) 0.0093(10) 1.2544(7) 0.042(3) Uani 1 1 d . . . . .
H1 H 0.494121 -0.038430 1.219908 0.051 Uiso 1 1 calc R U . . .
C2 C 0.4604(18) -0.0855(13) 1.3975(9) 0.087(5) Uani 1 1 d . . . . .
H2A H 0.423230 -0.145616 1.420652 0.130 Uiso 1 1 calc R U . . .
H2B H 0.467330 -0.048807 1.451338 0.130 Uiso 1 1 calc R U . . .
H2C H 0.547534 -0.117247 1.353419 0.130 Uiso 1 1 calc R U . . .
C3 C 0.2486(19) 0.0675(17) 1.4082(10) 0.123(8) Uani 1 1 d . . . . .
H3A H 0.232192 0.145624 1.388564 0.185 Uiso 1 1 calc R U . . .
H3B H 0.251083 0.062079 1.474683 0.185 Uiso 1 1 calc R U . . .
H3C H 0.178502 0.041530 1.401657 0.185 Uiso 1 1 calc R U . . .
C4 C 0.6627(11) 0.1802(8) 0.8622(6) 0.032(2) Uani 1 1 d . . . . .
C5 C 0.7028(10) 0.2259(9) 0.7617(6) 0.032(2) Uani 1 1 d . . . . .
C6 C 0.8348(12) 0.1999(10) 0.7086(7) 0.047(3) Uani 1 1 d . . . . .
H6 H 0.902237 0.151554 0.733640 0.056 Uiso 1 1 calc R U . . .
C7 C 0.8661(11) 0.2464(10) 0.6177(7) 0.042(3) Uani 1 1 d . . . . .
H7 H 0.954547 0.224111 0.580195 0.051 Uiso 1 1 calc R U . . .
C8 C 0.7708(11) 0.3237(8) 0.5820(6) 0.030(2) Uani 1 1 d . . . . .
C9 C 0.6367(11) 0.3477(9) 0.6337(6) 0.039(3) Uani 1 1 d . . . . .
H9 H 0.570546 0.397952 0.608532 0.047 Uiso 1 1 calc R U . . .
C10 C 0.6006(11) 0.2970(10) 0.7233(6) 0.038(3) Uani 1 1 d . . . . .
H10 H 0.511241 0.310142 0.756412 0.046 Uiso 1 1 calc R U . . .
C11 C 0.8090(11) 0.3821(9) 0.4875(6) 0.037(3) Uani 1 1 d . . . . .
C12 C 0.8828(10) 0.3050(9) 0.3971(6) 0.033(2) Uani 1 1 d . . . . .
C13 C 0.8383(12) 0.2205(11) 0.3811(7) 0.051(3) Uani 1 1 d . . . . .
H13 H 0.769782 0.204699 0.428845 0.061 Uiso 1 1 calc R U . . .
C14 C 0.8911(11) 0.1585(10) 0.2972(7) 0.042(3) Uani 1 1 d . . . . .
H14 H 0.857364 0.101734 0.288093 0.051 Uiso 1 1 calc R U . . .
C15 C 0.9940(10) 0.1775(9) 0.2249(6) 0.031(2) Uani 1 1 d . . . . .
C16 C 1.0479(10) 0.1142(9) 0.1286(6) 0.032(2) Uani 1 1 d . . . . .
C17 C 1.0451(10) 0.2597(8) 0.2428(6) 0.031(2) Uani 1 1 d . . . . .
H17 H 1.116496 0.272393 0.196001 0.038 Uiso 1 1 calc R U . . .
C18 C 0.9936(11) 0.3220(8) 0.3269(7) 0.034(2) Uani 1 1 d . . . . .
H18 H 1.030745 0.375301 0.338176 0.040 Uiso 1 1 calc R U . . .
C19 C 0.7693(10) 0.4956(9) 0.4815(6) 0.034(2) Uani 1 1 d . . . . .
C20 C 0.6871(11) 0.5737(8) 0.5668(6) 0.034(2) Uani 1 1 d . . . . .
C21 C 0.5758(12) 0.6649(10) 0.5579(7) 0.049(3) Uani 1 1 d . . . . .
H21 H 0.554581 0.675307 0.498942 0.059 Uiso 1 1 calc R U . . .
C22 C 0.4977(12) 0.7388(11) 0.6329(7) 0.051(3) Uani 1 1 d . . . . .
H22 H 0.422966 0.798004 0.625497 0.061 Uiso 1 1 calc R U . . .
C23 C 0.5301(11) 0.7254(9) 0.7214(7) 0.037(2) Uani 1 1 d . . . . .
C24 C 0.6380(11) 0.6395(9) 0.7313(6) 0.040(3) Uani 1 1 d . . . . .
H24 H 0.658191 0.630238 0.790621 0.048 Uiso 1 1 calc R U . . .
C25 C 0.7198(12) 0.5645(10) 0.6553(7) 0.041(3) Uani 1 1 d . . . . .
H25 H 0.796478 0.507938 0.662747 0.050 Uiso 1 1 calc R U . . .
C26 C 0.4335(12) 0.8103(10) 0.8036(6) 0.038(3) Uani 1 1 d . . . . .
C27 C 0.7905(10) 0.5591(8) 0.3859(6) 0.031(2) Uani 1 1 d . . . . .
C28 C 0.8395(12) 0.6475(10) 0.3799(7) 0.045(3) Uani 1 1 d . . . . .
H28 H 0.871849 0.662102 0.429125 0.054 Uiso 1 1 calc R U . . .
C29 C 0.8399(12) 0.7192(10) 0.2939(8) 0.050(3) Uani 1 1 d . . . . .
H29 H 0.872628 0.780414 0.287242 0.060 Uiso 1 1 calc R U . . .
C30 C 0.7911(12) 0.6939(10) 0.2237(6) 0.041(3) Uani 1 1 d . . . . .
C31 C 0.7492(13) 0.6038(11) 0.2305(7) 0.050(3) Uani 1 1 d . . . . .
H31 H 0.720609 0.586059 0.180395 0.060 Uiso 1 1 calc R U . . .
C32 C 0.7481(11) 0.5374(10) 0.3106(6) 0.040(3) Uani 1 1 d . . . . .
H32 H 0.717525 0.475295 0.314203 0.047 Uiso 1 1 calc R U . . .
C33 C 0.7760(13) 0.7812(12) 0.1418(8) 0.052(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Bi1 3.5404(13) 2_657 ?
Bi1 O1 2.167(6) . ?
Bi1 O1 2.209(6) 2_657 ?
Bi1 O2 2.540(7) . ?
Bi1 O3 2.260(6) . ?
Bi1 O7 2.542(8) 2_666 ?
Bi1 O10 2.609(8) 2_667 ?
Bi2 O1 2.146(6) . ?
Bi2 O4 2.472(6) 2_657 ?
Bi2 O6 2.332(6) 1_456 ?
Bi2 O8 2.268(7) 2_666 ?
Bi2 O9 2.492(7) 1_545 ?
O2 C1 1.221(13) . ?
O3 C4 1.269(13) . ?
O4 C4 1.250(12) . ?
O5 C16 1.216(12) . ?
O6 C16 1.272(11) . ?
O7 C33 1.281(14) . ?
O8 C33 1.193(14) . ?
O9 C26 1.205(13) . ?
O10 C26 1.276(12) . ?
N1 C1 1.300(12) . ?
N1 C2 1.443(16) . ?
N1 C3 1.439(18) . ?
C1 H1 0.9300 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.511(12) . ?
C5 C6 1.380(15) . ?
C5 C10 1.404(14) . ?
C6 H6 0.9300 . ?
C6 C7 1.386(13) . ?
C7 H7 0.9300 . ?
C7 C8 1.360(14) . ?
C8 C9 1.396(14) . ?
C8 C11 1.509(12) . ?
C9 H9 0.9300 . ?
C9 C10 1.402(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.527(12) . ?
C11 C19 1.332(14) . ?
C12 C13 1.354(15) . ?
C12 C18 1.414(13) . ?
C13 H13 0.9300 . ?
C13 C14 1.352(13) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(13) . ?
C15 C16 1.507(12) . ?
C15 C17 1.387(14) . ?
C17 H17 0.9300 . ?
C17 C18 1.355(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.492(13) . ?
C19 C27 1.530(12) . ?
C20 C21 1.395(15) . ?
C20 C25 1.404(13) . ?
C21 H21 0.9300 . ?
C21 C22 1.356(14) . ?
C22 H22 0.9300 . ?
C22 C23 1.401(14) . ?
C23 C24 1.342(15) . ?
C23 C26 1.538(14) . ?
C24 H24 0.9300 . ?
C24 C25 1.381(14) . ?
C25 H25 0.9300 . ?
C27 C28 1.361(14) . ?
C27 C32 1.369(13) . ?
C28 H28 0.9300 . ?
C28 C29 1.467(15) . ?
C29 H29 0.9300 . ?
C29 C30 1.369(15) . ?
C30 C31 1.330(16) . ?
C30 C33 1.544(15) . ?
C31 H31 0.9300 . ?
C31 C32 1.364(14) . ?
C32 H32 0.9300 . ?

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
O1 Bi1 Bi1 36.39(16) . 2_657 ?
O1 Bi1 Bi1 35.60(15) 2_657 2_657 ?
O1 Bi1 O1 72.0(2) . 2_657 ?
O1 Bi1 O2 78.1(2) 2_657 . ?
O1 Bi1 O2 99.2(3) . . ?
O1 Bi1 O3 85.1(2) 2_657 . ?
O1 Bi1 O3 89.4(2) . . ?
O1 Bi1 O7 79.9(3) . 2_666 ?
O1 Bi1 O7 142.5(2) 2_657 2_666 ?
O1 Bi1 O10 71.5(2) 2_657 2_667 ?
O1 Bi1 O10 142.8(2) . 2_667 ?
O2 Bi1 Bi1 88.3(2) . 2_657 ?
O2 Bi1 O7 131.7(3) . 2_666 ?
O2 Bi1 O10 79.9(3) . 2_667 ?
O3 Bi1 Bi1 86.6(2) . 2_657 ?
O3 Bi1 O2 157.6(3) . . ?
O3 Bi1 O7 70.0(3) . 2_666 ?
O3 Bi1 O10 80.9(2) . 2_667 ?
O7 Bi1 Bi1 112.8(2) 2_666 2_657 ?
O7 Bi1 O10 128.2(3) 2_666 2_667 ?
O10 Bi1 Bi1 106.86(19) 2_667 2_657 ?
O1 Bi2 O4 84.5(2) . 2_657 ?
O1 Bi2 O6 75.7(2) . 1_456 ?
O1 Bi2 O8 89.3(3) . 2_666 ?
O1 Bi2 O9 85.3(2) . 1_545 ?
O4 Bi2 O9 121.1(3) 2_657 1_545 ?
O6 Bi2 O4 77.3(3) 1_456 2_657 ?
O6 Bi2 O9 152.5(3) 1_456 1_545 ?
O8 Bi2 O4 160.3(3) 2_666 2_657 ?
O8 Bi2 O6 83.0(3) 2_666 1_456 ?
O8 Bi2 O9 76.8(3) 2_666 1_545 ?
Bi1 O1 Bi1 108.0(2) . 2_657 ?
Bi2 O1 Bi1 120.8(3) . . ?
Bi2 O1 Bi1 124.1(3) . 2_657 ?
C1 O2 Bi1 130.1(7) . . ?
C4 O3 Bi1 138.0(6) . . ?
C4 O4 Bi2 133.5(7) . 2_657 ?
C16 O6 Bi2 106.5(6) . 1_654 ?
C33 O7 Bi1 136.3(8) . 2_666 ?
C33 O8 Bi2 129.4(8) . 2_666 ?
C26 O9 Bi2 101.5(6) . 1_565 ?
C26 O10 Bi1 120.6(6) . 2_667 ?
C1 N1 C2 121.9(11) . . ?
C1 N1 C3 122.1(11) . . ?
C3 N1 C2 116.0(11) . . ?
O2 C1 N1 124.8(12) . . ?
O2 C1 H1 117.6 . . ?
N1 C1 H1 117.6 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O3 C4 C5 117.2(9) . . ?
O4 C4 O3 126.7(9) . . ?
O4 C4 C5 116.1(10) . . ?
C6 C5 C4 121.9(9) . . ?
C6 C5 C10 120.3(8) . . ?
C10 C5 C4 117.8(9) . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.5(10) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 H7 119.2 . . ?
C8 C7 C6 121.7(10) . . ?
C8 C7 H7 119.2 . . ?
C7 C8 C9 119.0(8) . . ?
C7 C8 C11 120.6(9) . . ?
C9 C8 C11 120.4(9) . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.7(9) . . ?
C10 C9 H9 119.7 . . ?
C5 C10 H10 120.8 . . ?
C9 C10 C5 118.4(10) . . ?
C9 C10 H10 120.8 . . ?
C8 C11 C12 116.8(9) . . ?
C19 C11 C8 121.6(9) . . ?
C19 C11 C12 121.3(8) . . ?
C13 C12 C11 119.5(9) . . ?
C13 C12 C18 118.4(8) . . ?
C18 C12 C11 122.1(9) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 C12 121.5(10) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 H14 119.3 . . ?
C13 C14 C15 121.4(10) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 C16 121.9(9) . . ?
C14 C15 C17 117.5(8) . . ?
C17 C15 C16 120.6(8) . . ?
O5 C16 O6 123.2(8) . . ?
O5 C16 C15 119.2(9) . . ?
O6 C16 C15 117.6(9) . . ?
C15 C17 H17 119.2 . . ?
C18 C17 C15 121.7(9) . . ?
C18 C17 H17 119.2 . . ?
C12 C18 H18 120.3 . . ?
C17 C18 C12 119.3(9) . . ?
C17 C18 H18 120.3 . . ?
C11 C19 C20 123.0(8) . . ?
C11 C19 C27 123.8(9) . . ?
C20 C19 C27 113.0(8) . . ?
C21 C20 C19 119.2(8) . . ?
C21 C20 C25 117.3(9) . . ?
C25 C20 C19 123.3(10) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 C20 121.8(10) . . ?
C22 C21 H21 119.1 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(12) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C26 116.2(10) . . ?
C24 C23 C22 119.7(10) . . ?
C24 C23 C26 124.1(9) . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.4(9) . . ?
C25 C24 H24 119.3 . . ?
C20 C25 H25 120.0 . . ?
C24 C25 C20 120.0(11) . . ?
C24 C25 H25 120.0 . . ?
O9 C26 O10 124.5(10) . . ?
O9 C26 C23 120.6(9) . . ?
O10 C26 C23 114.9(10) . . ?
C28 C27 C19 118.7(9) . . ?
C28 C27 C32 119.4(9) . . ?
C32 C27 C19 121.6(10) . . ?
C27 C28 H28 120.8 . . ?
C27 C28 C29 118.3(9) . . ?
C29 C28 H28 120.8 . . ?
C28 C29 H29 120.8 . . ?
C30 C29 C28 118.4(10) . . ?
C30 C29 H29 120.8 . . ?
C29 C30 C33 116.2(11) . . ?
C31 C30 C29 121.4(10) . . ?
C31 C30 C33 122.2(10) . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.3(11) . . ?
C32 C31 H31 119.9 . . ?
C27 C32 H32 118.9 . . ?
C31 C32 C27 122.2(11) . . ?
C31 C32 H32 118.9 . . ?
O7 C33 C30 113.3(11) . . ?
O8 C33 O7 126.9(11) . . ?
O8 C33 C30 119.7(11) . . ?

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 O2 C1 N1 166.3(8) . . . . ?
Bi1 O3 C4 O4 -4.5(17) . . . . ?
Bi1 O3 C4 C5 178.5(7) . . . . ?
Bi1 O7 C33 O8 -31(2) 2_666 . . . ?
Bi1 O7 C33 C30 149.8(9) 2_666 . . . ?
Bi1 O10 C26 O9 -83.2(13) 2_667 . . . ?
Bi1 O10 C26 C23 95.5(9) 2_667 . . . ?
Bi2 O4 C4 O3 16.1(16) 2_657 . . . ?
Bi2 O4 C4 C5 -166.9(7) 2_657 . . . ?
Bi2 O6 C16 O5 -11.3(13) 1_654 . . . ?
Bi2 O6 C16 C15 168.1(7) 1_654 . . . ?
Bi2 O8 C33 O7 10(2) 2_666 . . . ?
Bi2 O8 C33 C30 -170.9(7) 2_666 . . . ?
Bi2 O9 C26 O10 -5.3(13) 1_565 . . . ?
Bi2 O9 C26 C23 176.1(8) 1_565 . . . ?
O3 C4 C5 C6 -167.6(10) . . . . ?
O3 C4 C5 C10 12.6(14) . . . . ?
O4 C4 C5 C6 15.0(15) . . . . ?
O4 C4 C5 C10 -164.8(9) . . . . ?
C2 N1 C1 O2 -179.2(13) . . . . ?
C3 N1 C1 O2 -1(2) . . . . ?
C4 C5 C6 C7 -178.5(10) . . . . ?
C4 C5 C10 C9 174.8(9) . . . . ?
C5 C6 C7 C8 4.8(18) . . . . ?
C6 C5 C10 C9 -5.0(16) . . . . ?
C6 C7 C8 C9 -6.8(16) . . . . ?
C6 C7 C8 C11 173.7(10) . . . . ?
C7 C8 C9 C10 2.8(15) . . . . ?
C7 C8 C11 C12 60.9(13) . . . . ?
C7 C8 C11 C19 -125.3(12) . . . . ?
C8 C9 C10 C5 3.0(16) . . . . ?
C8 C11 C12 C13 45.4(15) . . . . ?
C8 C11 C12 C18 -137.3(10) . . . . ?
C8 C11 C19 C20 1.2(17) . . . . ?
C8 C11 C19 C27 -172.3(10) . . . . ?
C9 C8 C11 C12 -118.7(11) . . . . ?
C9 C8 C11 C19 55.1(14) . . . . ?
C10 C5 C6 C7 1.3(17) . . . . ?
C11 C8 C9 C10 -177.7(10) . . . . ?
C11 C12 C13 C14 172.6(11) . . . . ?
C11 C12 C18 C17 -172.3(9) . . . . ?
C11 C19 C20 C21 -133.2(12) . . . . ?
C11 C19 C20 C25 50.4(16) . . . . ?
C11 C19 C27 C28 -133.1(12) . . . . ?
C11 C19 C27 C32 54.1(15) . . . . ?
C12 C11 C19 C20 174.7(10) . . . . ?
C12 C11 C19 C27 1.2(17) . . . . ?
C12 C13 C14 C15 1(2) . . . . ?
C13 C12 C18 C17 5.0(16) . . . . ?
C13 C14 C15 C16 -176.0(11) . . . . ?
C13 C14 C15 C17 2.5(17) . . . . ?
C14 C15 C16 O5 15.6(16) . . . . ?
C14 C15 C16 O6 -163.8(10) . . . . ?
C14 C15 C17 C18 -2.1(16) . . . . ?
C15 C17 C18 C12 -1.6(15) . . . . ?
C16 C15 C17 C18 176.5(9) . . . . ?
C17 C15 C16 O5 -162.9(11) . . . . ?
C17 C15 C16 O6 17.7(14) . . . . ?
C18 C12 C13 C14 -4.7(18) . . . . ?
C19 C11 C12 C13 -128.3(12) . . . . ?
C19 C11 C12 C18 48.9(15) . . . . ?
C19 C20 C21 C22 -179.8(11) . . . . ?
C19 C20 C25 C24 -179.4(10) . . . . ?
C19 C27 C28 C29 -170.6(10) . . . . ?
C19 C27 C32 C31 170.6(10) . . . . ?
C20 C19 C27 C28 52.8(14) . . . . ?
C20 C19 C27 C32 -120.0(11) . . . . ?
C20 C21 C22 C23 1(2) . . . . ?
C21 C20 C25 C24 4.2(16) . . . . ?
C21 C22 C23 C24 -0.1(18) . . . . ?
C21 C22 C23 C26 -177.9(11) . . . . ?
C22 C23 C24 C25 1.1(18) . . . . ?
C22 C23 C26 O9 -17.6(16) . . . . ?
C22 C23 C26 O10 163.6(10) . . . . ?
C23 C24 C25 C20 -3.2(18) . . . . ?
C24 C23 C26 O9 164.6(11) . . . . ?
C24 C23 C26 O10 -14.2(16) . . . . ?
C25 C20 C21 C22 -3.3(18) . . . . ?
C26 C23 C24 C25 178.7(10) . . . . ?
C27 C19 C20 C21 40.9(14) . . . . ?
C27 C19 C20 C25 -135.4(10) . . . . ?
C27 C28 C29 C30 0.0(17) . . . . ?
C28 C27 C32 C31 -2.1(17) . . . . ?
C28 C29 C30 C31 -2.8(18) . . . . ?
C28 C29 C30 C33 172.0(10) . . . . ?
C29 C30 C31 C32 3.2(18) . . . . ?
C29 C30 C33 O7 179.2(11) . . . . ?
C29 C30 C33 O8 -0.1(17) . . . . ?
C30 C31 C32 C27 -0.7(18) . . . . ?
C31 C30 C33 O7 -6.1(17) . . . . ?
C31 C30 C33 O8 174.7(12) . . . . ?
C32 C27 C28 C29 2.4(16) . . . . ?
C33 C30 C31 C32 -171.3(11) . . . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 18 -1 ' '
2 -0.056 0.500 0.000 324 75 ' '
3 0.231 0.031 0.623 23 -1 ' '
4 0.769 -0.031 0.377 23 -1 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
