# Supplementary Information (SI) for Chemical Science.
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 2428091'
loop_
_audit_author_name
_audit_author_address
'Jian Xu'
;Technical University of Berlin
Germany
;
_audit_update_record             
;
2025-03-01 deposited with the CCDC.	2025-05-19 downloaded from the CCDC.
;
_audit_creation_date             2024-07-17
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H56 B10 Bi N4 Si2, I, 2[C6H6]'
_chemical_formula_sum            'C44 H68 B10 Bi I N4 Si2'
_chemical_formula_weight         1153.18
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.0111 8.9310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   13.6332(2)
_cell_length_b                   18.0507(3)
_cell_length_c                   21.0915(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.2830(10)
_cell_angle_gamma                90
_cell_volume                     5168.33(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10878
_cell_measurement_temperature    110.07(12)
_cell_measurement_theta_max      72.4760
_cell_measurement_theta_min      2.4070
_shelx_estimated_absorpt_T_max   0.794
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    12.077
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20747
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.510
_diffrn_reflns_theta_min         3.228
_diffrn_ambient_temperature      110.07(12)
_diffrn_detector_area_resol_mean 10.5435
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     10.00  98.00   1.00    7.00    --   41.62-125.00 120.00   88
  2  ω    -31.00  50.00   1.00    7.00    --   41.62 -57.00-120.00   81
  3  ω      6.00  58.00   1.00    7.00    --   41.62-125.00-150.00   52
  4  ω    100.00 139.00   1.00    8.00    --  103.63  77.00 -90.00   39
  5  ω     90.00 136.00   1.00    8.00    --  103.63 -77.00-180.00   46
  6  ω     30.00  72.00   1.00    8.00    --  103.63 -77.00-180.00   42
  7  ω     83.00 150.00   1.00    8.00    --  103.63  45.00-120.00   67
  8  ω     82.00 122.00   1.00    8.00    --  103.63  77.00 -30.00   40
  9  ω     95.00 148.00   1.00    8.00    --  103.63 111.00 150.00   53
 10  ω     51.00 127.00   1.00    8.00    --  103.63 -61.00 -30.00   76
 11  ω     99.00 147.00   1.00    8.00    --  103.63 111.00 -90.00   48
 12  ω     44.00  70.00   1.00    8.00    --  103.63 -15.00  90.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9260
_reflns_number_total             9991
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.126
_refine_diff_density_min         -1.769
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         9991
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0397P)²+16.9393P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0818
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C28(H28), C24(H24), C27(H27), C10(H10), C25(H25), C26(H26), C13(H13),
 C11(H11), C12(H12)
1.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C30(H30A,H30B,
 H30C), C32(H32A,H32B,H32C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C31(H31A,
 H31B,H31C), C19(H19A,H19B,H19C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C5(H5A,H5B,
 H5C)
1.c Boron cage BH refined with riding coordinates:
 B6(H6), B3(H3), B5(H5), B1(H1), B2(H2), B10(H10A), B7(H7), B9(H9A), B4(H4),
 B8(H8)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.54538(2) 0.10020(2) 0.48507(2) 0.01832(5) Uani 1 1 d . . . . .
I1 I 0.29836(2) 0.03853(2) 0.41404(2) 0.03068(8) Uani 1 1 d . . . . .
Si2 Si 0.69629(7) 0.18135(5) 0.52390(4) 0.01289(18) Uani 1 1 d . . . . .
Si1 Si 0.48315(7) 0.23012(5) 0.44734(4) 0.01488(19) Uani 1 1 d . . . . .
N2 N 0.4083(2) 0.25160(16) 0.37312(14) 0.0140(6) Uani 1 1 d . . . . .
N3 N 0.7592(2) 0.18214(16) 0.60448(14) 0.0142(6) Uani 1 1 d . . . . .
N4 N 0.8250(2) 0.15741(16) 0.51783(14) 0.0145(6) Uani 1 1 d . . . . .
N1 N 0.3659(2) 0.26873(19) 0.46778(14) 0.0190(6) Uani 1 1 d . . . . .
C22 C 0.8428(3) 0.16049(18) 0.58166(17) 0.0138(7) Uani 1 1 d . . . . .
C7 C 0.3337(3) 0.27250(19) 0.40578(17) 0.0157(7) Uani 1 1 d . . . . .
C17 C 0.3912(3) 0.3142(2) 0.26714(18) 0.0224(8) Uani 1 1 d . . . . .
H17A H 0.3256 0.3328 0.2744 0.034 Uiso 1 1 calc R U . . .
H17B H 0.3949 0.3062 0.2215 0.034 Uiso 1 1 calc R U . . .
H17C H 0.4411 0.3506 0.2828 0.034 Uiso 1 1 calc R U . . .
C23 C 0.9389(3) 0.1490(2) 0.61913(17) 0.0173(7) Uani 1 1 d . . . . .
C15 C 0.3346(3) 0.1833(2) 0.27818(19) 0.0239(8) Uani 1 1 d . . . . .
H15A H 0.3421 0.1389 0.3049 0.036 Uiso 1 1 calc R U . . .
H15B H 0.3451 0.1703 0.2342 0.036 Uiso 1 1 calc R U . . .
H15C H 0.2681 0.2035 0.2796 0.036 Uiso 1 1 calc R U . . .
C9 C 0.1561(3) 0.2516(2) 0.36648(19) 0.0253(8) Uani 1 1 d . . . . .
H9 H 0.1654 0.1995 0.3698 0.030 Uiso 1 1 calc R U . . .
C14 C 0.4100(3) 0.2410(2) 0.30269(16) 0.0149(7) Uani 1 1 d . . . . .
C28 C 0.9962(3) 0.2111(2) 0.63436(19) 0.0236(8) Uani 1 1 d . . . . .
H28 H 0.9731 0.2589 0.6214 0.028 Uiso 1 1 calc R U . . .
C2 C 0.6889(3) 0.2842(2) 0.49786(17) 0.0164(7) Uani 1 1 d . . . . .
C18 C 0.7326(3) 0.1847(2) 0.67217(16) 0.0166(7) Uani 1 1 d . . . . .
C16 C 0.5127(3) 0.2121(2) 0.29295(17) 0.0200(8) Uani 1 1 d . . . . .
H16A H 0.5618 0.2500 0.3065 0.030 Uiso 1 1 calc R U . . .
H16B H 0.5165 0.2008 0.2478 0.030 Uiso 1 1 calc R U . . .
H16C H 0.5258 0.1671 0.3183 0.030 Uiso 1 1 calc R U . . .
C30 C 0.8782(3) 0.0389(2) 0.4749(2) 0.0252(9) Uani 1 1 d . . . . .
H30A H 0.8091 0.0235 0.4685 0.038 Uiso 1 1 calc R U . . .
H30B H 0.9064 0.0229 0.5171 0.038 Uiso 1 1 calc R U . . .
H30C H 0.9150 0.0161 0.4422 0.038 Uiso 1 1 calc R U . . .
C24 C 0.9714(3) 0.0783(2) 0.63848(19) 0.0224(8) Uani 1 1 d . . . . .
H24 H 0.9317 0.0359 0.6284 0.027 Uiso 1 1 calc R U . . .
C8 C 0.2348(3) 0.2992(2) 0.38039(17) 0.0178(7) Uani 1 1 d . . . . .
C1 C 0.5794(3) 0.3089(2) 0.45956(17) 0.0164(7) Uani 1 1 d . . . . .
C27 C 1.0879(3) 0.2031(3) 0.6688(2) 0.0320(10) Uani 1 1 d . . . . .
H27 H 1.1274 0.2454 0.6796 0.038 Uiso 1 1 calc R U . . .
C32 C 0.8394(3) 0.1472(2) 0.40437(18) 0.0251(8) Uani 1 1 d . . . . .
H32A H 0.8730 0.1217 0.3715 0.038 Uiso 1 1 calc R U . . .
H32B H 0.8469 0.2008 0.3997 0.038 Uiso 1 1 calc R U . . .
H32C H 0.7693 0.1343 0.3998 0.038 Uiso 1 1 calc R U . . .
C10 C 0.0639(3) 0.2803(3) 0.3477(2) 0.0388(11) Uani 1 1 d . . . . .
H10 H 0.0097 0.2477 0.3386 0.047 Uiso 1 1 calc R U . . .
C20 C 0.7812(4) 0.1228(3) 0.7126(2) 0.0341(10) Uani 1 1 d . . . . .
H20A H 0.7688 0.0752 0.6909 0.051 Uiso 1 1 calc R U . . .
H20B H 0.7539 0.1216 0.7540 0.051 Uiso 1 1 calc R U . . .
H20C H 0.8524 0.1316 0.7190 0.051 Uiso 1 1 calc R U . . .
C3 C 0.3084(3) 0.2701(2) 0.52515(18) 0.0230(8) Uani 1 1 d . . . . .
C25 C 1.0630(3) 0.0714(3) 0.6728(2) 0.0301(9) Uani 1 1 d . . . . .
H25 H 1.0862 0.0239 0.6865 0.036 Uiso 1 1 calc R U . . .
C21 C 0.6215(3) 0.1732(3) 0.66831(19) 0.0264(9) Uani 1 1 d . . . . .
H21A H 0.5886 0.2128 0.6427 0.040 Uiso 1 1 calc R U . . .
H21B H 0.5997 0.1742 0.7113 0.040 Uiso 1 1 calc R U . . .
H21C H 0.6049 0.1252 0.6485 0.040 Uiso 1 1 calc R U . . .
C29 C 0.8848(3) 0.1233(2) 0.46998(18) 0.0196(8) Uani 1 1 d . . . . .
C31 C 0.9921(3) 0.1496(3) 0.4784(2) 0.0257(9) Uani 1 1 d . . . . .
H31A H 1.0240 0.1306 0.5187 0.039 Uiso 1 1 calc R U . . .
H31B H 0.9939 0.2039 0.4789 0.039 Uiso 1 1 calc R U . . .
H31C H 1.0271 0.1313 0.4430 0.039 Uiso 1 1 calc R U . . .
C26 C 1.1210(3) 0.1335(3) 0.6871(2) 0.0365(11) Uani 1 1 d . . . . .
H26 H 1.1841 0.1280 0.7098 0.044 Uiso 1 1 calc R U . . .
C13 C 0.2216(3) 0.3753(2) 0.3736(2) 0.0327(10) Uani 1 1 d . . . . .
H13 H 0.2759 0.4080 0.3819 0.039 Uiso 1 1 calc R U . . .
C19 C 0.7597(4) 0.2595(3) 0.7020(2) 0.0355(11) Uani 1 1 d . . . . .
H19A H 0.8311 0.2669 0.7031 0.053 Uiso 1 1 calc R U . . .
H19B H 0.7400 0.2609 0.7455 0.053 Uiso 1 1 calc R U . . .
H19C H 0.7256 0.2989 0.6767 0.053 Uiso 1 1 calc R U . . .
C11 C 0.0498(4) 0.3554(3) 0.3421(2) 0.0453(14) Uani 1 1 d . . . . .
H11 H -0.0140 0.3745 0.3297 0.054 Uiso 1 1 calc R U . . .
B6 B 0.5970(3) 0.3745(2) 0.4031(2) 0.0219(9) Uani 1 1 d . . . . .
H6 H 0.5494 0.3799 0.3571 0.026 Uiso 1 1 calc R U . . .
B3 B 0.7398(3) 0.3569(2) 0.5410(2) 0.0215(9) Uani 1 1 d . . . . .
H3 H 0.7874 0.3504 0.5869 0.026 Uiso 1 1 calc R U . . .
B5 B 0.5528(4) 0.3996(2) 0.4764(2) 0.0244(10) Uani 1 1 d . . . . .
H5 H 0.4764 0.4215 0.4791 0.029 Uiso 1 1 calc R U . . .
B1 B 0.6808(3) 0.2996(2) 0.4172(2) 0.0187(8) Uani 1 1 d . . . . .
H1 H 0.6884 0.2547 0.3814 0.022 Uiso 1 1 calc R U . . .
B2 B 0.6110(3) 0.3396(2) 0.5359(2) 0.0202(9) Uani 1 1 d . . . . .
H2 H 0.5729 0.3210 0.5779 0.024 Uiso 1 1 calc R U . . .
C12 C 0.1284(4) 0.4032(3) 0.3546(3) 0.0462(14) Uani 1 1 d . . . . .
H12 H 0.1188 0.4551 0.3502 0.055 Uiso 1 1 calc R U . . .
B10 B 0.6552(4) 0.4313(2) 0.5278(2) 0.0259(10) Uani 1 1 d . . . . .
H10A H 0.6464 0.4746 0.5649 0.031 Uiso 1 1 calc R U . . .
B7 B 0.7260(4) 0.3910(3) 0.4078(2) 0.0239(9) Uani 1 1 d . . . . .
H7 H 0.7640 0.4074 0.3650 0.029 Uiso 1 1 calc R U . . .
B9 B 0.7616(4) 0.4268(3) 0.4861(2) 0.0263(10) Uani 1 1 d . . . . .
H9A H 0.8232 0.4675 0.4953 0.032 Uiso 1 1 calc R U . . .
B4 B 0.7835(3) 0.3328(3) 0.4683(2) 0.0223(9) Uani 1 1 d . . . . .
H4 H 0.8597 0.3106 0.4657 0.027 Uiso 1 1 calc R U . . .
B8 B 0.6467(4) 0.4530(2) 0.4452(2) 0.0253(10) Uani 1 1 d . . . . .
H8 H 0.6328 0.5108 0.4272 0.030 Uiso 1 1 calc R U . . .
C4 C 0.3791(4) 0.2833(4) 0.5824(3) 0.0545(15) Uani 1 1 d . . . . .
H4A H 0.4110 0.3315 0.5786 0.082 Uiso 1 1 calc R U . . .
H4B H 0.4291 0.2442 0.5856 0.082 Uiso 1 1 calc R U . . .
H4C H 0.3434 0.2829 0.6207 0.082 Uiso 1 1 calc R U . . .
C6 C 0.2319(5) 0.3348(4) 0.5219(3) 0.0545(15) Uani 1 1 d . . . . .
H6A H 0.2045 0.3396 0.5630 0.082 Uiso 1 1 calc R U . . .
H6B H 0.1787 0.3243 0.4886 0.082 Uiso 1 1 calc R U . . .
H6C H 0.2646 0.3812 0.5119 0.082 Uiso 1 1 calc R U . . .
C5 C 0.2552(5) 0.1985(4) 0.5285(3) 0.0608(18) Uani 1 1 d . . . . .
H5A H 0.3026 0.1589 0.5404 0.091 Uiso 1 1 calc R U . . .
H5B H 0.2205 0.1874 0.4868 0.091 Uiso 1 1 calc R U . . .
H5C H 0.2076 0.2020 0.5604 0.091 Uiso 1 1 calc R U . . .


_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 Si2 2.5958(9) . ?
Bi1 Si1 2.5940(10) . ?
Si2 N3 1.832(3) . ?
Si2 N4 1.823(3) . ?
Si2 C22 2.274(4) . ?
Si2 C2 1.937(4) . ?
Si1 N2 1.830(3) . ?
Si1 N1 1.832(3) . ?
Si1 C7 2.276(4) . ?
Si1 C1 1.937(4) . ?
N2 C7 1.335(5) . ?
N2 C14 1.500(4) . ?
N3 C22 1.336(4) . ?
N3 C18 1.506(4) . ?
N4 C22 1.347(5) . ?
N4 C29 1.488(4) . ?
N1 C7 1.342(5) . ?
N1 C3 1.501(5) . ?
C22 C23 1.480(5) . ?
C7 C8 1.484(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C14 1.530(5) . ?
C23 C28 1.387(5) . ?
C23 C24 1.399(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C14 1.520(5) . ?
C9 H9 0.9500 . ?
C9 C8 1.386(6) . ?
C9 C10 1.383(6) . ?
C14 C16 1.525(5) . ?
C28 H28 0.9500 . ?
C28 C27 1.395(6) . ?
C2 C1 1.691(5) . ?
C2 B3 1.707(5) . ?
C2 B1 1.716(5) . ?
C2 B2 1.710(5) . ?
C2 B4 1.722(6) . ?
C18 C20 1.521(5) . ?
C18 C21 1.523(5) . ?
C18 C19 1.521(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 C29 1.531(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.390(6) . ?
C8 C13 1.390(6) . ?
C1 B6 1.712(5) . ?
C1 B5 1.720(6) . ?
C1 B1 1.721(6) . ?
C1 B2 1.719(5) . ?
C27 H27 0.9500 . ?
C27 C26 1.377(7) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32 C29 1.525(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.373(8) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C3 C4 1.493(7) . ?
C3 C6 1.565(7) . ?
C3 C5 1.487(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C29 C31 1.534(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C26 H26 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.391(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C12 1.382(8) . ?
B6 H6 1.1200 . ?
B6 B5 1.769(7) . ?
B6 B1 1.779(6) . ?
B6 B7 1.777(7) . ?
B6 B8 1.773(6) . ?
B3 H3 1.1200 . ?
B3 B2 1.777(6) . ?
B3 B10 1.774(6) . ?
B3 B9 1.757(6) . ?
B3 B4 1.751(7) . ?
B5 H5 1.1200 . ?
B5 B2 1.788(6) . ?
B5 B10 1.782(7) . ?
B5 B8 1.777(7) . ?
B1 H1 1.1200 . ?
B1 B7 1.780(6) . ?
B1 B4 1.790(6) . ?
B2 H2 1.1200 . ?
B2 B10 1.775(6) . ?
C12 H12 0.9500 . ?
B10 H10A 1.1200 . ?
B10 B9 1.766(7) . ?
B10 B8 1.781(7) . ?
B7 H7 1.1200 . ?
B7 B9 1.798(7) . ?
B7 B4 1.779(6) . ?
B7 B8 1.789(7) . ?
B9 H9A 1.1200 . ?
B9 B4 1.769(7) . ?
B9 B8 1.781(7) . ?
B4 H4 1.1200 . ?
B8 H8 1.1200 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?

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
Si1 Bi1 Si2 79.28(3) . . ?
N3 Si2 Bi1 125.94(10) . . ?
N3 Si2 C22 35.99(13) . . ?
N3 Si2 C2 105.25(15) . . ?
N4 Si2 Bi1 125.74(10) . . ?
N4 Si2 N3 72.27(13) . . ?
N4 Si2 C22 36.33(13) . . ?
N4 Si2 C2 103.43(15) . . ?
C22 Si2 Bi1 135.03(9) . . ?
C2 Si2 Bi1 115.65(11) . . ?
C2 Si2 C22 109.31(14) . . ?
N2 Si1 Bi1 126.51(10) . . ?
N2 Si1 N1 71.99(14) . . ?
N2 Si1 C7 35.92(13) . . ?
N2 Si1 C1 106.01(15) . . ?
N1 Si1 Bi1 122.66(11) . . ?
N1 Si1 C7 36.15(13) . . ?
N1 Si1 C1 106.54(16) . . ?
C7 Si1 Bi1 132.70(10) . . ?
C1 Si1 Bi1 115.14(11) . . ?
C1 Si1 C7 112.10(14) . . ?
C7 N2 Si1 90.6(2) . . ?
C7 N2 C14 129.0(3) . . ?
C14 N2 Si1 139.7(2) . . ?
C22 N3 Si2 90.3(2) . . ?
C22 N3 C18 129.7(3) . . ?
C18 N3 Si2 138.3(2) . . ?
C22 N4 Si2 90.4(2) . . ?
C22 N4 C29 129.4(3) . . ?
C29 N4 Si2 137.4(2) . . ?
C7 N1 Si1 90.2(2) . . ?
C7 N1 C3 129.5(3) . . ?
C3 N1 Si1 136.7(3) . . ?
N3 C22 Si2 53.68(18) . . ?
N3 C22 N4 106.9(3) . . ?
N3 C22 C23 126.2(3) . . ?
N4 C22 Si2 53.31(17) . . ?
N4 C22 C23 126.7(3) . . ?
C23 C22 Si2 178.5(3) . . ?
N2 C7 Si1 53.51(18) . . ?
N2 C7 N1 107.0(3) . . ?
N2 C7 C8 128.0(3) . . ?
N1 C7 Si1 53.61(18) . . ?
N1 C7 C8 124.9(3) . . ?
C8 C7 Si1 178.3(3) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
C28 C23 C22 117.5(3) . . ?
C28 C23 C24 120.8(4) . . ?
C24 C23 C22 121.6(3) . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C10 C9 C8 119.6(4) . . ?
N2 C14 C17 111.0(3) . . ?
N2 C14 C15 110.7(3) . . ?
N2 C14 C16 106.0(3) . . ?
C15 C14 C17 110.3(3) . . ?
C15 C14 C16 108.7(3) . . ?
C16 C14 C17 110.1(3) . . ?
C23 C28 H28 120.2 . . ?
C23 C28 C27 119.7(4) . . ?
C27 C28 H28 120.2 . . ?
C1 C2 Si2 114.1(2) . . ?
C1 C2 B3 110.5(3) . . ?
C1 C2 B1 60.7(2) . . ?
C1 C2 B2 60.7(2) . . ?
C1 C2 B4 110.5(3) . . ?
B3 C2 Si2 125.3(3) . . ?
B3 C2 B1 113.0(3) . . ?
B3 C2 B2 62.6(3) . . ?
B3 C2 B4 61.4(3) . . ?
B1 C2 Si2 115.6(2) . . ?
B1 C2 B4 62.7(2) . . ?
B2 C2 Si2 116.4(2) . . ?
B2 C2 B1 112.6(3) . . ?
B2 C2 B4 113.0(3) . . ?
B4 C2 Si2 124.7(3) . . ?
N3 C18 C20 112.2(3) . . ?
N3 C18 C21 105.7(3) . . ?
N3 C18 C19 110.4(3) . . ?
C20 C18 C21 108.1(3) . . ?
C20 C18 C19 110.1(4) . . ?
C19 C18 C21 110.2(3) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
C23 C24 H24 120.7 . . ?
C25 C24 C23 118.7(4) . . ?
C25 C24 H24 120.7 . . ?
C9 C8 C7 122.3(3) . . ?
C9 C8 C13 120.0(4) . . ?
C13 C8 C7 117.6(4) . . ?
C2 C1 Si1 115.3(2) . . ?
C2 C1 B6 109.9(3) . . ?
C2 C1 B5 110.3(3) . . ?
C2 C1 B1 60.4(2) . . ?
C2 C1 B2 60.2(2) . . ?
B6 C1 Si1 123.5(3) . . ?
B6 C1 B5 62.0(3) . . ?
B6 C1 B1 62.4(2) . . ?
B6 C1 B2 113.0(3) . . ?
B5 C1 Si1 125.0(3) . . ?
B5 C1 B1 113.3(3) . . ?
B1 C1 Si1 115.2(2) . . ?
B2 C1 Si1 118.0(2) . . ?
B2 C1 B5 62.6(2) . . ?
B2 C1 B1 111.9(3) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 C28 119.7(4) . . ?
C26 C27 H27 120.1 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.7(5) . . ?
C11 C10 H10 119.6 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C3 C6 111.8(4) . . ?
C4 C3 N1 108.0(3) . . ?
C4 C3 C6 107.1(4) . . ?
C5 C3 N1 108.5(4) . . ?
C5 C3 C4 112.4(5) . . ?
C5 C3 C6 109.0(4) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.4(4) . . ?
C26 C25 H25 119.8 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N4 C29 C30 109.1(3) . . ?
N4 C29 C32 107.3(3) . . ?
N4 C29 C31 111.7(3) . . ?
C30 C29 C31 111.2(3) . . ?
C32 C29 C30 108.8(3) . . ?
C32 C29 C31 108.7(3) . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C26 C25 120.6(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C8 C13 H13 120.2 . . ?
C8 C13 C12 119.6(5) . . ?
C12 C13 H13 120.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(4) . . ?
C12 C11 H11 120.0 . . ?
C1 B6 H6 123.8 . . ?
C1 B6 B5 59.2(2) . . ?
C1 B6 B1 59.1(2) . . ?
C1 B6 B7 106.1(3) . . ?
C1 B6 B8 106.0(3) . . ?
B5 B6 H6 121.2 . . ?
B5 B6 B1 108.3(3) . . ?
B5 B6 B7 108.9(3) . . ?
B5 B6 B8 60.2(3) . . ?
B1 B6 H6 121.5 . . ?
B7 B6 H6 121.6 . . ?
B7 B6 B1 60.1(3) . . ?
B8 B6 H6 121.9 . . ?
B8 B6 B1 108.3(3) . . ?
B8 B6 B7 60.5(3) . . ?
C2 B3 H3 123.6 . . ?
C2 B3 B2 58.8(2) . . ?
C2 B3 B10 105.7(3) . . ?
C2 B3 B9 106.5(3) . . ?
C2 B3 B4 59.7(2) . . ?
B2 B3 H3 121.6 . . ?
B10 B3 H3 122.1 . . ?
B10 B3 B2 60.0(3) . . ?
B9 B3 H3 121.8 . . ?
B9 B3 B2 108.2(3) . . ?
B9 B3 B10 60.0(3) . . ?
B4 B3 H3 120.9 . . ?
B4 B3 B2 108.4(3) . . ?
B4 B3 B10 108.6(3) . . ?
B4 B3 B9 60.6(3) . . ?
C1 B5 B6 58.7(2) . . ?
C1 B5 H5 124.2 . . ?
C1 B5 B2 58.6(2) . . ?
C1 B5 B10 105.2(3) . . ?
C1 B5 B8 105.5(3) . . ?
B6 B5 H5 121.9 . . ?
B6 B5 B2 107.1(3) . . ?
B6 B5 B10 107.7(3) . . ?
B6 B5 B8 60.0(3) . . ?
B2 B5 H5 122.2 . . ?
B10 B5 H5 122.4 . . ?
B10 B5 B2 59.6(3) . . ?
B8 B5 H5 122.2 . . ?
B8 B5 B2 107.5(3) . . ?
B8 B5 B10 60.0(3) . . ?
C2 B1 C1 58.9(2) . . ?
C2 B1 B6 105.7(3) . . ?
C2 B1 H1 123.5 . . ?
C2 B1 B7 105.6(3) . . ?
C2 B1 B4 58.8(2) . . ?
C1 B1 B6 58.5(2) . . ?
C1 B1 H1 123.4 . . ?
C1 B1 B7 105.6(3) . . ?
C1 B1 B4 106.0(3) . . ?
B6 B1 H1 122.4 . . ?
B6 B1 B7 59.9(3) . . ?
B6 B1 B4 107.5(3) . . ?
B7 B1 H1 122.7 . . ?
B7 B1 B4 59.8(2) . . ?
B4 B1 H1 122.2 . . ?
C2 B2 C1 59.1(2) . . ?
C2 B2 B3 58.6(2) . . ?
C2 B2 B5 106.2(3) . . ?
C2 B2 H2 123.4 . . ?
C2 B2 B10 105.6(3) . . ?
C1 B2 B3 106.0(3) . . ?
C1 B2 B5 58.7(2) . . ?
C1 B2 H2 123.4 . . ?
C1 B2 B10 105.6(3) . . ?
B3 B2 B5 108.0(3) . . ?
B3 B2 H2 122.1 . . ?
B5 B2 H2 121.9 . . ?
B10 B2 B3 59.9(3) . . ?
B10 B2 B5 60.0(3) . . ?
B10 B2 H2 122.8 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 C13 120.0(5) . . ?
C11 C12 H12 120.0 . . ?
B3 B10 B5 108.3(3) . . ?
B3 B10 B2 60.1(2) . . ?
B3 B10 H10A 121.9 . . ?
B3 B10 B8 107.7(3) . . ?
B5 B10 H10A 121.4 . . ?
B2 B10 B5 60.3(3) . . ?
B2 B10 H10A 121.7 . . ?
B2 B10 B8 107.9(3) . . ?
B9 B10 B3 59.5(3) . . ?
B9 B10 B5 108.4(3) . . ?
B9 B10 B2 107.8(3) . . ?
B9 B10 H10A 121.7 . . ?
B9 B10 B8 60.3(3) . . ?
B8 B10 B5 59.8(3) . . ?
B8 B10 H10A 121.9 . . ?
B6 B7 B1 60.0(2) . . ?
B6 B7 H7 121.9 . . ?
B6 B7 B9 107.0(3) . . ?
B6 B7 B4 108.0(3) . . ?
B6 B7 B8 59.6(3) . . ?
B1 B7 H7 121.7 . . ?
B1 B7 B9 107.3(3) . . ?
B1 B7 B8 107.5(3) . . ?
B9 B7 H7 122.6 . . ?
B4 B7 B1 60.4(2) . . ?
B4 B7 H7 121.8 . . ?
B4 B7 B9 59.3(3) . . ?
B4 B7 B8 107.3(3) . . ?
B8 B7 H7 122.2 . . ?
B8 B7 B9 59.5(3) . . ?
B3 B9 B10 60.5(3) . . ?
B3 B9 B7 107.5(3) . . ?
B3 B9 H9A 121.8 . . ?
B3 B9 B4 59.6(3) . . ?
B3 B9 B8 108.4(3) . . ?
B10 B9 B7 108.1(3) . . ?
B10 B9 H9A 121.4 . . ?
B10 B9 B4 108.2(3) . . ?
B10 B9 B8 60.3(3) . . ?
B7 B9 H9A 122.0 . . ?
B4 B9 B7 59.8(3) . . ?
B4 B9 H9A 121.9 . . ?
B4 B9 B8 108.1(3) . . ?
B8 B9 B7 60.0(3) . . ?
B8 B9 H9A 121.5 . . ?
C2 B4 B3 58.9(2) . . ?
C2 B4 B1 58.5(2) . . ?
C2 B4 B7 105.4(3) . . ?
C2 B4 B9 105.4(3) . . ?
C2 B4 H4 124.4 . . ?
B3 B4 B1 107.5(3) . . ?
B3 B4 B7 108.6(3) . . ?
B3 B4 B9 59.9(3) . . ?
B3 B4 H4 121.6 . . ?
B1 B4 H4 121.9 . . ?
B7 B4 B1 59.8(2) . . ?
B7 B4 H4 121.7 . . ?
B9 B4 B1 108.1(3) . . ?
B9 B4 B7 60.9(3) . . ?
B9 B4 H4 121.9 . . ?
B6 B8 B5 59.8(3) . . ?
B6 B8 B10 107.6(3) . . ?
B6 B8 B7 59.9(3) . . ?
B6 B8 B9 108.0(3) . . ?
B6 B8 H8 122.0 . . ?
B5 B8 B10 60.1(3) . . ?
B5 B8 B7 108.0(3) . . ?
B5 B8 B9 107.9(3) . . ?
B5 B8 H8 121.7 . . ?
B10 B8 B7 107.8(3) . . ?
B10 B8 B9 59.5(3) . . ?
B10 B8 H8 122.1 . . ?
B7 B8 H8 121.6 . . ?
B9 B8 B7 60.5(3) . . ?
B9 B8 H8 121.7 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?

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 Si2 N3 C22 119.26(18) . . . . ?
Bi1 Si2 N3 C18 -45.8(4) . . . . ?
Bi1 Si2 N4 C22 -119.51(18) . . . . ?
Bi1 Si2 N4 C29 41.7(4) . . . . ?
Bi1 Si1 N2 C7 114.6(2) . . . . ?
Bi1 Si1 N2 C14 -54.9(4) . . . . ?
Bi1 Si1 N1 C7 -119.2(2) . . . . ?
Bi1 Si1 N1 C3 39.6(4) . . . . ?
Si2 N3 C22 N4 3.3(3) . . . . ?
Si2 N3 C22 C23 178.1(3) . . . . ?
Si2 N3 C18 C20 127.5(4) . . . . ?
Si2 N3 C18 C21 9.9(5) . . . . ?
Si2 N3 C18 C19 -109.3(4) . . . . ?
Si2 N4 C22 N3 -3.3(3) . . . . ?
Si2 N4 C22 C23 -178.1(3) . . . . ?
Si2 N4 C29 C30 -83.5(4) . . . . ?
Si2 N4 C29 C32 34.2(5) . . . . ?
Si2 N4 C29 C31 153.1(3) . . . . ?
Si2 C2 C1 Si1 -1.2(3) . . . . ?
Si2 C2 C1 B6 -146.4(3) . . . . ?
Si2 C2 C1 B5 147.1(3) . . . . ?
Si2 C2 C1 B1 -107.0(3) . . . . ?
Si2 C2 C1 B2 107.9(3) . . . . ?
Si2 C2 B3 B2 -104.3(3) . . . . ?
Si2 C2 B3 B10 -143.2(3) . . . . ?
Si2 C2 B3 B9 154.1(3) . . . . ?
Si2 C2 B3 B4 114.2(3) . . . . ?
Si2 C2 B1 C1 104.5(3) . . . . ?
Si2 C2 B1 B6 141.1(3) . . . . ?
Si2 C2 B1 B7 -156.4(3) . . . . ?
Si2 C2 B1 B4 -117.6(3) . . . . ?
Si2 C2 B2 C1 -104.1(3) . . . . ?
Si2 C2 B2 B3 118.0(3) . . . . ?
Si2 C2 B2 B5 -140.5(3) . . . . ?
Si2 C2 B2 B10 156.8(3) . . . . ?
Si2 C2 B4 B3 -115.0(3) . . . . ?
Si2 C2 B4 B1 103.6(3) . . . . ?
Si2 C2 B4 B7 142.3(3) . . . . ?
Si2 C2 B4 B9 -154.3(3) . . . . ?
Si1 N2 C7 N1 4.3(3) . . . . ?
Si1 N2 C7 C8 -178.9(3) . . . . ?
Si1 N2 C14 C17 -129.5(3) . . . . ?
Si1 N2 C14 C15 107.6(4) . . . . ?
Si1 N2 C14 C16 -10.1(5) . . . . ?
Si1 N1 C7 N2 -4.2(3) . . . . ?
Si1 N1 C7 C8 178.8(3) . . . . ?
Si1 N1 C3 C4 41.9(6) . . . . ?
Si1 N1 C3 C6 159.5(4) . . . . ?
Si1 N1 C3 C5 -80.2(5) . . . . ?
Si1 C1 B6 B5 115.3(3) . . . . ?
Si1 C1 B6 B1 -103.3(3) . . . . ?
Si1 C1 B6 B7 -142.1(3) . . . . ?
Si1 C1 B6 B8 154.7(3) . . . . ?
Si1 C1 B5 B6 -113.0(3) . . . . ?
Si1 C1 B5 B2 106.4(3) . . . . ?
Si1 C1 B5 B10 145.3(3) . . . . ?
Si1 C1 B5 B8 -152.2(3) . . . . ?
Si1 C1 B1 C2 -106.1(3) . . . . ?
Si1 C1 B1 B6 116.3(3) . . . . ?
Si1 C1 B1 B7 154.9(2) . . . . ?
Si1 C1 B1 B4 -142.7(3) . . . . ?
Si1 C1 B2 C2 104.7(3) . . . . ?
Si1 C1 B2 B3 141.3(3) . . . . ?
Si1 C1 B2 B5 -117.1(3) . . . . ?
Si1 C1 B2 B10 -156.2(3) . . . . ?
N2 Si1 N1 C7 3.1(2) . . . . ?
N2 Si1 N1 C3 161.9(4) . . . . ?
N2 C7 C8 C9 89.9(5) . . . . ?
N2 C7 C8 C13 -93.2(5) . . . . ?
N3 Si2 N4 C22 2.4(2) . . . . ?
N3 Si2 N4 C29 163.6(4) . . . . ?
N3 C22 C23 C28 -81.0(5) . . . . ?
N3 C22 C23 C24 99.2(5) . . . . ?
N4 Si2 N3 C22 -2.5(2) . . . . ?
N4 Si2 N3 C18 -167.6(4) . . . . ?
N4 C22 C23 C28 92.8(4) . . . . ?
N4 C22 C23 C24 -87.0(5) . . . . ?
N1 Si1 N2 C7 -3.1(2) . . . . ?
N1 Si1 N2 C14 -172.6(4) . . . . ?
N1 C7 C8 C9 -93.8(5) . . . . ?
N1 C7 C8 C13 83.1(5) . . . . ?
C22 Si2 N3 C18 -165.1(5) . . . . ?
C22 Si2 N4 C29 161.2(5) . . . . ?
C22 N3 C18 C20 -33.0(5) . . . . ?
C22 N3 C18 C21 -150.6(4) . . . . ?
C22 N3 C18 C19 90.2(5) . . . . ?
C22 N4 C29 C30 71.8(5) . . . . ?
C22 N4 C29 C32 -170.6(3) . . . . ?
C22 N4 C29 C31 -51.6(5) . . . . ?
C22 C23 C28 C27 -179.1(4) . . . . ?
C22 C23 C24 C25 179.1(4) . . . . ?
C7 Si1 N2 C14 -169.5(5) . . . . ?
C7 Si1 N1 C3 158.8(5) . . . . ?
C7 N2 C14 C17 64.1(5) . . . . ?
C7 N2 C14 C15 -58.8(5) . . . . ?
C7 N2 C14 C16 -176.5(3) . . . . ?
C7 N1 C3 C4 -166.1(4) . . . . ?
C7 N1 C3 C6 -48.5(6) . . . . ?
C7 N1 C3 C5 71.7(6) . . . . ?
C7 C8 C13 C12 -175.1(4) . . . . ?
C23 C28 C27 C26 0.3(6) . . . . ?
C23 C24 C25 C26 -0.4(6) . . . . ?
C9 C8 C13 C12 1.9(7) . . . . ?
C9 C10 C11 C12 0.7(8) . . . . ?
C14 N2 C7 Si1 171.2(4) . . . . ?
C14 N2 C7 N1 175.5(3) . . . . ?
C14 N2 C7 C8 -7.7(6) . . . . ?
C28 C23 C24 C25 -0.7(6) . . . . ?
C28 C27 C26 C25 -1.4(7) . . . . ?
C2 Si2 N3 C22 -102.0(2) . . . . ?
C2 Si2 N3 C18 92.9(4) . . . . ?
C2 Si2 N4 C22 104.4(2) . . . . ?
C2 Si2 N4 C29 -94.4(4) . . . . ?
C2 C1 B6 B5 -103.0(3) . . . . ?
C2 C1 B6 B1 38.5(3) . . . . ?
C2 C1 B6 B7 -0.3(4) . . . . ?
C2 C1 B6 B8 -63.5(4) . . . . ?
C2 C1 B5 B6 102.4(3) . . . . ?
C2 C1 B5 B2 -38.1(3) . . . . ?
C2 C1 B5 B10 0.8(4) . . . . ?
C2 C1 B5 B8 63.2(4) . . . . ?
C2 C1 B1 B6 -137.7(3) . . . . ?
C2 C1 B1 B7 -99.1(3) . . . . ?
C2 C1 B1 B4 -36.7(3) . . . . ?
C2 C1 B2 B3 36.6(3) . . . . ?
C2 C1 B2 B5 138.2(3) . . . . ?
C2 C1 B2 B10 99.1(3) . . . . ?
C2 B3 B2 C1 -36.8(3) . . . . ?
C2 B3 B2 B5 -98.4(3) . . . . ?
C2 B3 B2 B10 -135.8(3) . . . . ?
C2 B3 B10 B5 0.7(4) . . . . ?
C2 B3 B10 B2 38.3(3) . . . . ?
C2 B3 B10 B9 -100.3(3) . . . . ?
C2 B3 B10 B8 -62.6(4) . . . . ?
C2 B3 B9 B10 99.0(3) . . . . ?
C2 B3 B9 B7 -2.3(4) . . . . ?
C2 B3 B9 B4 -39.5(3) . . . . ?
C2 B3 B9 B8 61.1(4) . . . . ?
C2 B3 B4 B1 33.9(3) . . . . ?
C2 B3 B4 B7 97.1(3) . . . . ?
C2 B3 B4 B9 135.1(3) . . . . ?
C2 B1 B7 B6 -99.4(3) . . . . ?
C2 B1 B7 B9 0.7(4) . . . . ?
C2 B1 B7 B4 38.3(3) . . . . ?
C2 B1 B7 B8 -62.1(4) . . . . ?
C2 B1 B4 B3 -34.0(3) . . . . ?
C2 B1 B4 B7 -135.8(3) . . . . ?
C2 B1 B4 B9 -97.3(3) . . . . ?
C2 B2 B10 B3 -38.1(3) . . . . ?
C2 B2 B10 B5 100.0(3) . . . . ?
C2 B2 B10 B9 -1.3(4) . . . . ?
C2 B2 B10 B8 62.3(4) . . . . ?
C18 N3 C22 Si2 167.2(4) . . . . ?
C18 N3 C22 N4 170.5(3) . . . . ?
C18 N3 C22 C23 -14.7(6) . . . . ?
C24 C23 C28 C27 0.7(6) . . . . ?
C24 C25 C26 C27 1.4(7) . . . . ?
C8 C9 C10 C11 0.7(7) . . . . ?
C8 C13 C12 C11 -0.5(8) . . . . ?
C1 Si1 N2 C7 -105.7(2) . . . . ?
C1 Si1 N2 C14 84.8(4) . . . . ?
C1 Si1 N1 C7 105.0(2) . . . . ?
C1 Si1 N1 C3 -96.2(4) . . . . ?
C1 C2 B3 B2 38.6(3) . . . . ?
C1 C2 B3 B10 -0.2(4) . . . . ?
C1 C2 B3 B9 -62.9(4) . . . . ?
C1 C2 B3 B4 -102.8(3) . . . . ?
C1 C2 B1 B6 36.6(3) . . . . ?
C1 C2 B1 B7 99.1(3) . . . . ?
C1 C2 B1 B4 137.8(3) . . . . ?
C1 C2 B2 B3 -137.9(3) . . . . ?
C1 C2 B2 B5 -36.4(3) . . . . ?
C1 C2 B2 B10 -99.1(3) . . . . ?
C1 C2 B4 B3 102.8(3) . . . . ?
C1 C2 B4 B1 -38.7(3) . . . . ?
C1 C2 B4 B7 0.1(4) . . . . ?
C1 C2 B4 B9 63.5(4) . . . . ?
C1 B6 B5 B2 34.6(3) . . . . ?
C1 B6 B5 B10 97.4(3) . . . . ?
C1 B6 B5 B8 135.3(3) . . . . ?
C1 B6 B1 C2 -36.8(3) . . . . ?
C1 B6 B1 B7 -136.0(3) . . . . ?
C1 B6 B1 B4 -98.4(3) . . . . ?
C1 B6 B7 B1 38.3(3) . . . . ?
C1 B6 B7 B9 -62.1(4) . . . . ?
C1 B6 B7 B4 0.3(4) . . . . ?
C1 B6 B7 B8 -99.6(3) . . . . ?
C1 B6 B8 B5 -39.0(3) . . . . ?
C1 B6 B8 B10 -1.0(4) . . . . ?
C1 B6 B8 B7 99.8(3) . . . . ?
C1 B6 B8 B9 61.7(4) . . . . ?
C1 B5 B2 C2 36.6(3) . . . . ?
C1 B5 B2 B3 98.1(3) . . . . ?
C1 B5 B2 B10 135.5(3) . . . . ?
C1 B5 B10 B3 -0.9(4) . . . . ?
C1 B5 B10 B2 -38.4(3) . . . . ?
C1 B5 B10 B9 62.2(4) . . . . ?
C1 B5 B10 B8 99.3(3) . . . . ?
C1 B5 B8 B6 38.6(3) . . . . ?
C1 B5 B8 B10 -98.9(3) . . . . ?
C1 B5 B8 B7 1.8(4) . . . . ?
C1 B5 B8 B9 -62.2(4) . . . . ?
C1 B1 B7 B6 -38.0(3) . . . . ?
C1 B1 B7 B9 62.1(4) . . . . ?
C1 B1 B7 B4 99.7(3) . . . . ?
C1 B1 B7 B8 -0.6(4) . . . . ?
C1 B1 B4 C2 36.7(3) . . . . ?
C1 B1 B4 B3 2.7(4) . . . . ?
C1 B1 B4 B7 -99.1(3) . . . . ?
C1 B1 B4 B9 -60.5(4) . . . . ?
C1 B2 B10 B3 -99.7(3) . . . . ?
C1 B2 B10 B5 38.5(3) . . . . ?
C1 B2 B10 B9 -62.9(4) . . . . ?
C1 B2 B10 B8 0.8(4) . . . . ?
C10 C9 C8 C7 174.9(4) . . . . ?
C10 C9 C8 C13 -2.0(6) . . . . ?
C10 C11 C12 C13 -0.8(8) . . . . ?
C3 N1 C7 Si1 -161.2(5) . . . . ?
C3 N1 C7 N2 -165.4(4) . . . . ?
C3 N1 C7 C8 17.6(6) . . . . ?
C29 N4 C22 Si2 -163.6(4) . . . . ?
C29 N4 C22 N3 -166.9(3) . . . . ?
C29 N4 C22 C23 18.3(6) . . . . ?
B6 C1 B5 B2 -140.5(3) . . . . ?
B6 C1 B5 B10 -101.7(3) . . . . ?
B6 C1 B5 B8 -39.2(3) . . . . ?
B6 C1 B1 C2 137.7(3) . . . . ?
B6 C1 B1 B7 38.6(3) . . . . ?
B6 C1 B1 B4 101.0(3) . . . . ?
B6 C1 B2 C2 -100.6(3) . . . . ?
B6 C1 B2 B3 -64.1(4) . . . . ?
B6 C1 B2 B5 37.6(3) . . . . ?
B6 C1 B2 B10 -1.5(4) . . . . ?
B6 B5 B2 C2 1.9(4) . . . . ?
B6 B5 B2 C1 -34.6(3) . . . . ?
B6 B5 B2 B3 63.5(4) . . . . ?
B6 B5 B2 B10 100.8(4) . . . . ?
B6 B5 B10 B3 -62.3(4) . . . . ?
B6 B5 B10 B2 -99.8(3) . . . . ?
B6 B5 B10 B9 0.7(4) . . . . ?
B6 B5 B10 B8 37.9(3) . . . . ?
B6 B5 B8 B10 -137.5(3) . . . . ?
B6 B5 B8 B7 -36.9(3) . . . . ?
B6 B5 B8 B9 -100.8(4) . . . . ?
B6 B1 B7 B9 100.1(4) . . . . ?
B6 B1 B7 B4 137.7(3) . . . . ?
B6 B1 B7 B8 37.3(3) . . . . ?
B6 B1 B4 C2 98.1(3) . . . . ?
B6 B1 B4 B3 64.1(4) . . . . ?
B6 B1 B4 B7 -37.7(3) . . . . ?
B6 B1 B4 B9 0.9(4) . . . . ?
B6 B7 B9 B3 64.1(4) . . . . ?
B6 B7 B9 B10 0.3(4) . . . . ?
B6 B7 B9 B4 101.2(3) . . . . ?
B6 B7 B9 B8 -37.4(3) . . . . ?
B6 B7 B4 C2 -0.2(4) . . . . ?
B6 B7 B4 B3 -62.0(4) . . . . ?
B6 B7 B4 B1 37.8(3) . . . . ?
B6 B7 B4 B9 -99.5(4) . . . . ?
B6 B7 B8 B5 36.8(3) . . . . ?
B6 B7 B8 B10 100.4(3) . . . . ?
B6 B7 B8 B9 137.6(3) . . . . ?
B3 C2 C1 Si1 -148.6(3) . . . . ?
B3 C2 C1 B6 66.2(4) . . . . ?
B3 C2 C1 B5 -0.4(4) . . . . ?
B3 C2 C1 B1 105.6(3) . . . . ?
B3 C2 C1 B2 -39.5(3) . . . . ?
B3 C2 B1 C1 -101.4(3) . . . . ?
B3 C2 B1 B6 -64.7(4) . . . . ?
B3 C2 B1 B7 -2.2(4) . . . . ?
B3 C2 B1 B4 36.5(3) . . . . ?
B3 C2 B2 C1 137.9(3) . . . . ?
B3 C2 B2 B5 101.5(3) . . . . ?
B3 C2 B2 B10 38.8(3) . . . . ?
B3 C2 B4 B1 -141.4(3) . . . . ?
B3 C2 B4 B7 -102.7(3) . . . . ?
B3 C2 B4 B9 -39.3(3) . . . . ?
B3 B2 B10 B5 138.2(3) . . . . ?
B3 B2 B10 B9 36.8(3) . . . . ?
B3 B2 B10 B8 100.5(4) . . . . ?
B3 B10 B9 B7 100.3(3) . . . . ?
B3 B10 B9 B4 37.0(3) . . . . ?
B3 B10 B9 B8 137.9(3) . . . . ?
B3 B10 B8 B6 63.6(4) . . . . ?
B3 B10 B8 B5 101.3(3) . . . . ?
B3 B10 B8 B7 0.4(4) . . . . ?
B3 B10 B8 B9 -37.3(3) . . . . ?
B3 B9 B4 C2 38.8(3) . . . . ?
B3 B9 B4 B1 100.1(3) . . . . ?
B3 B9 B4 B7 138.2(3) . . . . ?
B3 B9 B8 B6 -62.2(4) . . . . ?
B3 B9 B8 B5 1.0(4) . . . . ?
B3 B9 B8 B10 38.0(3) . . . . ?
B3 B9 B8 B7 -100.0(3) . . . . ?
B5 C1 B6 B1 141.5(3) . . . . ?
B5 C1 B6 B7 102.7(3) . . . . ?
B5 C1 B6 B8 39.4(3) . . . . ?
B5 C1 B1 C2 100.9(3) . . . . ?
B5 C1 B1 B6 -36.8(3) . . . . ?
B5 C1 B1 B7 1.8(4) . . . . ?
B5 C1 B1 B4 64.2(4) . . . . ?
B5 C1 B2 C2 -138.2(3) . . . . ?
B5 C1 B2 B3 -101.6(3) . . . . ?
B5 C1 B2 B10 -39.1(3) . . . . ?
B5 B6 B1 C2 -2.5(4) . . . . ?
B5 B6 B1 C1 34.3(3) . . . . ?
B5 B6 B1 B7 -101.7(3) . . . . ?
B5 B6 B1 B4 -64.1(4) . . . . ?
B5 B6 B7 B1 100.7(3) . . . . ?
B5 B6 B7 B9 0.2(4) . . . . ?
B5 B6 B7 B4 62.7(4) . . . . ?
B5 B6 B7 B8 -37.2(3) . . . . ?
B5 B6 B8 B10 37.9(3) . . . . ?
B5 B6 B8 B7 138.8(3) . . . . ?
B5 B6 B8 B9 100.7(4) . . . . ?
B5 B2 B10 B3 -138.2(3) . . . . ?
B5 B2 B10 B9 -101.4(4) . . . . ?
B5 B2 B10 B8 -37.7(3) . . . . ?
B5 B10 B9 B3 -100.9(3) . . . . ?
B5 B10 B9 B7 -0.6(4) . . . . ?
B5 B10 B9 B4 -63.9(4) . . . . ?
B5 B10 B9 B8 37.0(3) . . . . ?
B5 B10 B8 B6 -37.8(3) . . . . ?
B5 B10 B8 B7 -100.9(3) . . . . ?
B5 B10 B8 B9 -138.7(3) . . . . ?
B1 C2 C1 Si1 105.8(3) . . . . ?
B1 C2 C1 B6 -39.4(3) . . . . ?
B1 C2 C1 B5 -106.0(3) . . . . ?
B1 C2 C1 B2 -145.1(3) . . . . ?
B1 C2 B3 B2 104.5(3) . . . . ?
B1 C2 B3 B10 65.6(4) . . . . ?
B1 C2 B3 B9 2.9(4) . . . . ?
B1 C2 B3 B4 -37.0(3) . . . . ?
B1 C2 B2 C1 32.7(3) . . . . ?
B1 C2 B2 B3 -105.2(3) . . . . ?
B1 C2 B2 B5 -3.7(4) . . . . ?
B1 C2 B2 B10 -66.4(4) . . . . ?
B1 C2 B4 B3 141.4(3) . . . . ?
B1 C2 B4 B7 38.7(3) . . . . ?
B1 C2 B4 B9 102.1(3) . . . . ?
B1 C1 B6 B5 -141.5(3) . . . . ?
B1 C1 B6 B7 -38.8(3) . . . . ?
B1 C1 B6 B8 -102.0(3) . . . . ?
B1 C1 B5 B6 36.9(3) . . . . ?
B1 C1 B5 B2 -103.6(3) . . . . ?
B1 C1 B5 B10 -64.8(4) . . . . ?
B1 C1 B5 B8 -2.3(4) . . . . ?
B1 C1 B2 C2 -32.4(3) . . . . ?
B1 C1 B2 B3 4.1(4) . . . . ?
B1 C1 B2 B5 105.8(3) . . . . ?
B1 C1 B2 B10 66.7(4) . . . . ?
B1 B6 B5 C1 -34.2(3) . . . . ?
B1 B6 B5 B2 0.4(4) . . . . ?
B1 B6 B5 B10 63.2(4) . . . . ?
B1 B6 B5 B8 101.1(3) . . . . ?
B1 B6 B7 B9 -100.5(3) . . . . ?
B1 B6 B7 B4 -38.0(3) . . . . ?
B1 B6 B7 B8 -137.9(3) . . . . ?
B1 B6 B8 B5 -101.0(3) . . . . ?
B1 B6 B8 B10 -63.1(4) . . . . ?
B1 B6 B8 B7 37.7(3) . . . . ?
B1 B6 B8 B9 -0.3(4) . . . . ?
B1 B7 B9 B3 1.0(5) . . . . ?
B1 B7 B9 B10 -62.9(4) . . . . ?
B1 B7 B9 B4 38.1(3) . . . . ?
B1 B7 B9 B8 -100.6(3) . . . . ?
B1 B7 B4 C2 -38.1(3) . . . . ?
B1 B7 B4 B3 -99.8(3) . . . . ?
B1 B7 B4 B9 -137.3(3) . . . . ?
B1 B7 B8 B6 -37.5(3) . . . . ?
B1 B7 B8 B5 -0.7(4) . . . . ?
B1 B7 B8 B10 62.8(4) . . . . ?
B1 B7 B8 B9 100.1(3) . . . . ?
B2 C2 C1 Si1 -109.1(3) . . . . ?
B2 C2 C1 B6 105.7(3) . . . . ?
B2 C2 C1 B5 39.1(3) . . . . ?
B2 C2 C1 B1 145.1(3) . . . . ?
B2 C2 B3 B10 -38.8(3) . . . . ?
B2 C2 B3 B9 -101.6(3) . . . . ?
B2 C2 B3 B4 -141.5(3) . . . . ?
B2 C2 B1 C1 -32.7(3) . . . . ?
B2 C2 B1 B6 3.9(4) . . . . ?
B2 C2 B1 B7 66.4(4) . . . . ?
B2 C2 B1 B4 105.1(3) . . . . ?
B2 C2 B4 B3 36.9(3) . . . . ?
B2 C2 B4 B1 -104.5(3) . . . . ?
B2 C2 B4 B7 -65.8(4) . . . . ?
B2 C2 B4 B9 -2.4(4) . . . . ?
B2 C1 B6 B5 -37.8(3) . . . . ?
B2 C1 B6 B1 103.7(3) . . . . ?
B2 C1 B6 B7 64.9(4) . . . . ?
B2 C1 B6 B8 1.6(4) . . . . ?
B2 C1 B5 B6 140.5(3) . . . . ?
B2 C1 B5 B10 38.8(3) . . . . ?
B2 C1 B5 B8 101.3(3) . . . . ?
B2 C1 B1 C2 32.4(3) . . . . ?
B2 C1 B1 B6 -105.3(3) . . . . ?
B2 C1 B1 B7 -66.7(4) . . . . ?
B2 C1 B1 B4 -4.3(4) . . . . ?
B2 B3 B10 B5 -37.6(3) . . . . ?
B2 B3 B10 B9 -138.5(3) . . . . ?
B2 B3 B10 B8 -100.9(3) . . . . ?
B2 B3 B9 B10 37.1(3) . . . . ?
B2 B3 B9 B7 -64.1(4) . . . . ?
B2 B3 B9 B4 -101.3(3) . . . . ?
B2 B3 B9 B8 -0.8(4) . . . . ?
B2 B3 B4 C2 -34.1(3) . . . . ?
B2 B3 B4 B1 -0.3(4) . . . . ?
B2 B3 B4 B7 63.0(4) . . . . ?
B2 B3 B4 B9 100.9(3) . . . . ?
B2 B5 B10 B3 37.5(3) . . . . ?
B2 B5 B10 B9 100.5(3) . . . . ?
B2 B5 B10 B8 137.7(3) . . . . ?
B2 B5 B8 B6 100.0(3) . . . . ?
B2 B5 B8 B10 -37.5(3) . . . . ?
B2 B5 B8 B7 63.1(4) . . . . ?
B2 B5 B8 B9 -0.8(4) . . . . ?
B2 B10 B9 B3 -37.1(3) . . . . ?
B2 B10 B9 B7 63.2(4) . . . . ?
B2 B10 B9 B4 -0.1(4) . . . . ?
B2 B10 B9 B8 100.8(3) . . . . ?
B2 B10 B8 B6 0.2(4) . . . . ?
B2 B10 B8 B5 37.9(3) . . . . ?
B2 B10 B8 B7 -63.0(4) . . . . ?
B2 B10 B8 B9 -100.8(3) . . . . ?
B10 B3 B2 C2 135.8(3) . . . . ?
B10 B3 B2 C1 99.0(3) . . . . ?
B10 B3 B2 B5 37.4(3) . . . . ?
B10 B3 B9 B7 -101.3(4) . . . . ?
B10 B3 B9 B4 -138.5(3) . . . . ?
B10 B3 B9 B8 -37.9(3) . . . . ?
B10 B3 B4 C2 -97.8(3) . . . . ?
B10 B3 B4 B1 -63.9(4) . . . . ?
B10 B3 B4 B7 -0.6(4) . . . . ?
B10 B3 B4 B9 37.3(3) . . . . ?
B10 B5 B2 C2 -98.9(3) . . . . ?
B10 B5 B2 C1 -135.5(3) . . . . ?
B10 B5 B2 B3 -37.3(3) . . . . ?
B10 B5 B8 B6 137.5(3) . . . . ?
B10 B5 B8 B7 100.6(3) . . . . ?
B10 B5 B8 B9 36.7(3) . . . . ?
B10 B9 B4 C2 1.4(4) . . . . ?
B10 B9 B4 B3 -37.4(3) . . . . ?
B10 B9 B4 B1 62.7(4) . . . . ?
B10 B9 B4 B7 100.8(4) . . . . ?
B10 B9 B8 B6 -100.2(3) . . . . ?
B10 B9 B8 B5 -37.0(3) . . . . ?
B10 B9 B8 B7 -138.0(3) . . . . ?
B7 B6 B5 C1 -98.0(3) . . . . ?
B7 B6 B5 B2 -63.3(4) . . . . ?
B7 B6 B5 B10 -0.6(4) . . . . ?
B7 B6 B5 B8 37.3(3) . . . . ?
B7 B6 B1 C2 99.2(3) . . . . ?
B7 B6 B1 C1 136.0(3) . . . . ?
B7 B6 B1 B4 37.6(3) . . . . ?
B7 B6 B8 B5 -138.8(3) . . . . ?
B7 B6 B8 B10 -100.8(4) . . . . ?
B7 B6 B8 B9 -38.1(3) . . . . ?
B7 B1 B4 C2 135.8(3) . . . . ?
B7 B1 B4 B3 101.8(3) . . . . ?
B7 B1 B4 B9 38.5(3) . . . . ?
B7 B9 B4 C2 -99.3(3) . . . . ?
B7 B9 B4 B3 -138.2(3) . . . . ?
B7 B9 B4 B1 -38.1(3) . . . . ?
B7 B9 B8 B6 37.8(3) . . . . ?
B7 B9 B8 B5 101.0(3) . . . . ?
B7 B9 B8 B10 138.0(3) . . . . ?
B9 B3 B2 C2 98.7(3) . . . . ?
B9 B3 B2 C1 61.9(4) . . . . ?
B9 B3 B2 B5 0.3(4) . . . . ?
B9 B3 B2 B10 -37.1(3) . . . . ?
B9 B3 B10 B5 100.9(4) . . . . ?
B9 B3 B10 B2 138.5(3) . . . . ?
B9 B3 B10 B8 37.7(3) . . . . ?
B9 B3 B4 C2 -135.1(3) . . . . ?
B9 B3 B4 B1 -101.2(3) . . . . ?
B9 B3 B4 B7 -38.0(3) . . . . ?
B9 B10 B8 B6 100.9(4) . . . . ?
B9 B10 B8 B5 138.7(3) . . . . ?
B9 B10 B8 B7 37.7(3) . . . . ?
B9 B7 B4 C2 99.3(3) . . . . ?
B9 B7 B4 B3 37.5(3) . . . . ?
B9 B7 B4 B1 137.3(3) . . . . ?
B9 B7 B8 B6 -137.6(3) . . . . ?
B9 B7 B8 B5 -100.8(3) . . . . ?
B9 B7 B8 B10 -37.3(3) . . . . ?
B4 C2 C1 Si1 145.3(3) . . . . ?
B4 C2 C1 B6 0.1(4) . . . . ?
B4 C2 C1 B5 -66.4(4) . . . . ?
B4 C2 C1 B1 39.5(3) . . . . ?
B4 C2 C1 B2 -105.5(3) . . . . ?
B4 C2 B3 B2 141.5(3) . . . . ?
B4 C2 B3 B10 102.6(3) . . . . ?
B4 C2 B3 B9 39.9(3) . . . . ?
B4 C2 B1 C1 -137.8(3) . . . . ?
B4 C2 B1 B6 -101.2(3) . . . . ?
B4 C2 B1 B7 -38.7(3) . . . . ?
B4 C2 B2 C1 101.4(3) . . . . ?
B4 C2 B2 B3 -36.4(3) . . . . ?
B4 C2 B2 B5 65.0(4) . . . . ?
B4 C2 B2 B10 2.3(4) . . . . ?
B4 B3 B2 C2 34.5(3) . . . . ?
B4 B3 B2 C1 -2.3(4) . . . . ?
B4 B3 B2 B5 -63.9(4) . . . . ?
B4 B3 B2 B10 -101.3(3) . . . . ?
B4 B3 B10 B5 63.4(4) . . . . ?
B4 B3 B10 B2 101.0(3) . . . . ?
B4 B3 B10 B9 -37.5(3) . . . . ?
B4 B3 B10 B8 0.1(4) . . . . ?
B4 B3 B9 B10 138.5(3) . . . . ?
B4 B3 B9 B7 37.2(3) . . . . ?
B4 B3 B9 B8 100.6(4) . . . . ?
B4 B1 B7 B6 -137.7(3) . . . . ?
B4 B1 B7 B9 -37.6(3) . . . . ?
B4 B1 B7 B8 -100.3(3) . . . . ?
B4 B7 B9 B3 -37.1(3) . . . . ?
B4 B7 B9 B10 -101.0(3) . . . . ?
B4 B7 B9 B8 -138.6(3) . . . . ?
B4 B7 B8 B6 -101.1(3) . . . . ?
B4 B7 B8 B5 -64.3(4) . . . . ?
B4 B7 B8 B10 -0.8(4) . . . . ?
B4 B7 B8 B9 36.5(3) . . . . ?
B4 B9 B8 B6 0.9(4) . . . . ?
B4 B9 B8 B5 64.1(4) . . . . ?
B4 B9 B8 B10 101.0(3) . . . . ?
B4 B9 B8 B7 -36.9(3) . . . . ?
B8 B6 B5 C1 -135.3(3) . . . . ?
B8 B6 B5 B2 -100.7(4) . . . . ?
B8 B6 B5 B10 -37.9(3) . . . . ?
B8 B6 B1 C2 61.3(4) . . . . ?
B8 B6 B1 C1 98.1(3) . . . . ?
B8 B6 B1 B7 -37.9(3) . . . . ?
B8 B6 B1 B4 -0.3(4) . . . . ?
B8 B6 B7 B1 137.9(3) . . . . ?
B8 B6 B7 B9 37.4(3) . . . . ?
B8 B6 B7 B4 99.9(3) . . . . ?
B8 B5 B2 C2 -61.2(4) . . . . ?
B8 B5 B2 C1 -97.8(3) . . . . ?
B8 B5 B2 B3 0.3(4) . . . . ?
B8 B5 B2 B10 37.7(3) . . . . ?
B8 B5 B10 B3 -100.2(4) . . . . ?
B8 B5 B10 B2 -137.7(3) . . . . ?
B8 B5 B10 B9 -37.2(3) . . . . ?
B8 B10 B9 B3 -137.9(3) . . . . ?
B8 B10 B9 B7 -37.6(3) . . . . ?
B8 B10 B9 B4 -100.9(3) . . . . ?
B8 B7 B9 B3 101.6(4) . . . . ?
B8 B7 B9 B10 37.7(3) . . . . ?
B8 B7 B9 B4 138.6(3) . . . . ?
B8 B7 B4 C2 62.7(4) . . . . ?
B8 B7 B4 B3 0.9(4) . . . . ?
B8 B7 B4 B1 100.7(3) . . . . ?
B8 B7 B4 B9 -36.6(3) . . . . ?
B8 B9 B4 C2 -62.4(4) . . . . ?
B8 B9 B4 B3 -101.2(4) . . . . ?
B8 B9 B4 B1 -1.1(4) . . . . ?
B8 B9 B4 B7 37.0(3) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 336 electrons were 
found in a volume of 1442Å³ in 1 void per unit cell. 
This is consistent with the presence of 
2[C6H6] per formula unit 
which account for 336 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.404 0.000 0.000 721.3 168.4 '4 C6H6'
2 -0.857 0.500 0.500 721.3 168.4 '4 C6H6'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2428094'
loop_
_audit_author_name
_audit_author_address
'Jian Xu'
;Technical University of Berlin
Germany
;
_audit_update_record             
;
2025-03-01 deposited with the CCDC.	2025-05-19 downloaded from the CCDC.
;
_audit_creation_date             2024-10-08
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C80 H144 B20 Bi2 K2 N8 O4 Si4, 2(C4 H8 O)'
_chemical_formula_sum            'C88 H160 B20 Bi2 K2 N8 O6 Si4'
_chemical_formula_weight         2250.95
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.0111 8.9310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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                   10.0567(4)
_cell_length_b                   14.8404(6)
_cell_length_c                   19.9981(8)
_cell_angle_alpha                70.800(4)
_cell_angle_beta                 86.199(3)
_cell_angle_gamma                84.365(3)
_cell_volume                     2803.2(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8997
_cell_measurement_temperature    111.5(6)
_cell_measurement_theta_max      71.7900
_cell_measurement_theta_min      3.1410
_shelx_estimated_absorpt_T_max   0.864
_shelx_estimated_absorpt_T_min   0.660
_exptl_absorpt_coefficient_mu    7.539
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21148
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.691
_diffrn_reflns_theta_min         3.164
_diffrn_ambient_temperature      111.5(6)
_diffrn_detector_area_resol_mean 10.5435
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     19.00 106.00   1.00    7.00    --   41.50  38.00-150.00   87
  2  ω    -26.00  69.00   1.00    7.00    --   41.50 -57.00 -60.00   95
  3  ω      8.00  94.00   1.00    7.00    --   41.50-125.00 -60.00   86
  4  ω    -30.00  66.00   1.00    7.00    --   41.50 -38.00  30.00   96
  5  ω     70.00 129.00   1.00    6.00    --  103.63 -61.00  30.00   59
  6  ω     77.00 118.00   1.00    6.00    --  103.63  61.00-180.00   41
  7  ω     32.00  63.00   1.00    6.00    --  103.63 -77.00-180.00   31
  8  ω     32.00 123.00   1.00    6.00    --  103.63 -45.00-180.00   91
  9  ω     28.00 104.00   1.00    6.00    --  103.63-111.00   0.00   76
 10  ω     61.00 109.00   1.00    6.00    --  103.63-111.00-120.00   48
 11  ω     36.00  62.00   1.00    6.00    --  103.63-111.00 150.00   26
 12  ω     74.00 109.00   1.00    6.00    --  103.63-111.00 150.00   35
 13  ω     76.00 158.00   1.00    6.00    --  103.63  61.00   0.00   82
 14  ω    132.00 157.00   1.00    6.00    --  103.63  61.00-180.00   25
 15  ω    103.00 133.00   1.00    6.00    --  103.63 -77.00-180.00   30
 16  ω     15.00 158.00   1.00    6.00    --  103.63   0.00-180.00  143
 17  ω     52.00 121.00   1.00    6.00    --  103.63 -45.00 -30.00   69
 18  ω     42.00 109.00   1.00    6.00    --  103.63-111.00  60.00   67
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9482
_reflns_number_total             10794
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.752
_refine_diff_density_min         -2.348
_refine_diff_density_rms         0.133
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         10794
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0448
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0666P)²+2.2903P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1207
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C42-C43 \\sim C42A-C43
 with sigma of 0.02
 K1-C42 \\sim K1-C42A
 with sigma of 0.04
 K1-C41 \\sim K1-C41A
 with sigma of 0.04
 O3-C42 \\sim O3A-C42A
 with sigma of 0.04
 C44-C41 \\sim C44-C41A
 with sigma of 0.04
 C43-C41 \\sim C43-C41A
 with sigma of 0.04
 K1-O3 \\sim K1-O3A
 with sigma of 0.02
 O3-C41 \\sim O3A-C41A
 with sigma of 0.02
 O3-C44 \\sim O3A-C44
 with sigma of 0.02
 C42-C41 \\sim C42A-C41A
 with sigma of 0.02
 C43-C42 \\sim C43-C42A
 with sigma of 0.02
2. Rigid bond restraints
 C41, C42, C43
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C41A, C42A, C43
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Rigid body (RIGU) restrains
 C41, O3, C44, C43, C42
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C44, C43, C41A, C42A, O3A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Others
 Sof(H44C)=Sof(H44D)=Sof(H43C)=Sof(H43D)=Sof(C41A)=Sof(H41C)=Sof(H41D)=
 Sof(O3A)=Sof(C42A)=Sof(H42C)=Sof(H42D)=1-FVAR(1)
 Sof(O3)=Sof(H44A)=Sof(H44B)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(H43A)=Sof(H43B)=
 Sof(C41)=Sof(H41A)=Sof(H41B)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C38(H38A,H38B), C40(H40A,H40B), C39(H39A,H39B), C34(H34A,
 H34B), C33(H33A,H33B), C35(H35A,H35B), C36(H36A,H36B), C44(H44A,H44B),
 C44(H44C,H44D), C42(H42A,H42B), C43(H43A,H43B), C43(H43C,H43D), C41(H41A,H41B),
  C41A(H41C,H41D), C42A(H42C,H42D)
5.b Aromatic/amide H refined with riding coordinates:
 C24(H24), C28(H28), C13(H13), C9(H9), C25(H25), C27(H27), C10(H10), C26(H26),
 C12(H12), C11(H11)
5.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C32(H32A,H32B,H32C), C15(H15A,H15B,H15C), C19(H19A,H19B,
 H19C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C30(H30A,H30B,H30C), C17(H17A,H17B,
 H17C), C20(H20A,H20B,H20C), C16(H16A,H16B,H16C), C21(H21A,H21B,H21C), C31(H31A,
 H31B,H31C)
5.d Boron cage BH refined with riding coordinates:
 B3(H3), B4(H4), B1(H1), B5(H5), B2(H2), B6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.76135(2) 0.50358(2) 0.34362(2) 0.02836(8) Uani 1 1 d . . . . .
K1 K 0.30672(11) 1.02054(8) 0.05784(6) 0.0335(2) Uani 1 1 d D . . . .
Si1 Si 0.74831(12) 0.68530(9) 0.33323(6) 0.0221(2) Uani 1 1 d . . . . .
Si2 Si 0.65152(12) 0.54857(9) 0.22083(7) 0.0224(3) Uani 1 1 d . . . . .
O2 O 0.1473(4) 0.9084(3) 0.0300(2) 0.0434(10) Uani 1 1 d . . . . .
N3 N 0.7168(4) 0.4755(3) 0.1651(2) 0.0250(8) Uani 1 1 d . . . . .
N2 N 0.6927(4) 0.7117(3) 0.4146(2) 0.0268(8) Uani 1 1 d . . . . .
N1 N 0.8924(4) 0.7185(3) 0.3698(2) 0.0254(8) Uani 1 1 d . . . . .
N4 N 0.5189(4) 0.4745(3) 0.2127(2) 0.0246(8) Uani 1 1 d . . . . .
C23 C 0.5728(5) 0.3618(3) 0.1411(3) 0.0258(10) Uani 1 1 d . . . . .
C24 C 0.6162(6) 0.2655(4) 0.1704(3) 0.0344(12) Uani 1 1 d . . . . .
H24 H 0.6587 0.2430 0.2145 0.041 Uiso 1 1 calc R U . . .
C1 C 0.6866(5) 0.7690(3) 0.2526(3) 0.0255(10) Uani 1 1 d . . . . .
C22 C 0.6020(5) 0.4344(3) 0.1733(2) 0.0238(9) Uani 1 1 d . . . . .
C3 C 1.0389(5) 0.7204(4) 0.3549(3) 0.0317(11) Uani 1 1 d . . . . .
C8 C 0.8621(5) 0.7523(4) 0.4860(3) 0.0283(10) Uani 1 1 d . . . . .
C29 C 0.3853(5) 0.4489(4) 0.2444(3) 0.0296(11) Uani 1 1 d . . . . .
C2 C 0.6195(5) 0.6738(3) 0.1749(3) 0.0273(10) Uani 1 1 d . . . . .
C5 C 1.1084(5) 0.6260(4) 0.3994(3) 0.0368(12) Uani 1 1 d . . . . .
H5A H 1.0926 0.6185 0.4498 0.055 Uiso 1 1 calc R U . . .
H5B H 1.2046 0.6257 0.3880 0.055 Uiso 1 1 calc R U . . .
H5C H 1.0726 0.5730 0.3892 0.055 Uiso 1 1 calc R U . . .
C7 C 0.8170(5) 0.7267(3) 0.4259(3) 0.0248(10) Uani 1 1 d . . . . .
C32 C 0.3361(5) 0.5210(4) 0.2814(3) 0.0348(12) Uani 1 1 d . . . . .
H32A H 0.4015 0.5207 0.3157 0.052 Uiso 1 1 calc R U . . .
H32B H 0.2501 0.5038 0.3061 0.052 Uiso 1 1 calc R U . . .
H32C H 0.3249 0.5850 0.2462 0.052 Uiso 1 1 calc R U . . .
C28 C 0.5072(5) 0.3930(4) 0.0769(3) 0.0325(11) Uani 1 1 d . . . . .
H28 H 0.4734 0.4580 0.0580 0.039 Uiso 1 1 calc R U . . .
C14 C 0.5759(5) 0.6901(4) 0.4658(3) 0.0320(11) Uani 1 1 d . . . . .
C13 C 0.8467(6) 0.8475(4) 0.4838(4) 0.0429(14) Uani 1 1 d . . . . .
H13 H 0.8052 0.8946 0.4447 0.051 Uiso 1 1 calc R U . . .
C15 C 0.6070(6) 0.5943(5) 0.5227(3) 0.0414(14) Uani 1 1 d . . . . .
H15A H 0.5259 0.5746 0.5518 0.062 Uiso 1 1 calc R U . . .
H15B H 0.6765 0.6003 0.5526 0.062 Uiso 1 1 calc R U . . .
H15C H 0.6385 0.5461 0.5002 0.062 Uiso 1 1 calc R U . . .
C9 C 0.9204(5) 0.6835(4) 0.5442(3) 0.0356(12) Uani 1 1 d . . . . .
H9 H 0.9307 0.6182 0.5467 0.043 Uiso 1 1 calc R U . . .
C18 C 0.8472(5) 0.4568(4) 0.1303(3) 0.0308(11) Uani 1 1 d . . . . .
C19 C 0.9266(5) 0.5423(4) 0.1227(3) 0.0380(13) Uani 1 1 d . . . . .
H19A H 0.8794 0.6007 0.0921 0.057 Uiso 1 1 calc R U . . .
H19B H 1.0154 0.5328 0.1016 0.057 Uiso 1 1 calc R U . . .
H19C H 0.9359 0.5483 0.1695 0.057 Uiso 1 1 calc R U . . .
C25 C 0.5966(7) 0.2031(4) 0.1343(3) 0.0441(14) Uani 1 1 d . . . . .
H25 H 0.6248 0.1371 0.1544 0.053 Uiso 1 1 calc R U . . .
C4 C 1.0943(5) 0.8052(4) 0.3695(4) 0.0423(14) Uani 1 1 d . . . . .
H4A H 1.0394 0.8643 0.3463 0.063 Uiso 1 1 calc R U . . .
H4B H 1.1867 0.8114 0.3509 0.063 Uiso 1 1 calc R U . . .
H4C H 1.0919 0.7937 0.4207 0.063 Uiso 1 1 calc R U . . .
C27 C 0.4912(7) 0.3307(4) 0.0410(3) 0.0452(15) Uani 1 1 d . . . . .
H27 H 0.4492 0.3529 -0.0033 0.054 Uiso 1 1 calc R U . . .
C6 C 1.0606(5) 0.7319(5) 0.2765(3) 0.0383(13) Uani 1 1 d . . . . .
H6A H 1.0313 0.6760 0.2676 0.057 Uiso 1 1 calc R U . . .
H6B H 1.1558 0.7373 0.2632 0.057 Uiso 1 1 calc R U . . .
H6C H 1.0087 0.7898 0.2483 0.057 Uiso 1 1 calc R U . . .
C10 C 0.9637(6) 0.7113(6) 0.5989(3) 0.0499(17) Uani 1 1 d . . . . .
H10 H 1.0032 0.6645 0.6389 0.060 Uiso 1 1 calc R U . . .
C30 C 0.3983(6) 0.3485(4) 0.2983(3) 0.0450(14) Uani 1 1 d . . . . .
H30A H 0.4260 0.3020 0.2738 0.067 Uiso 1 1 calc R U . . .
H30B H 0.3119 0.3335 0.3233 0.067 Uiso 1 1 calc R U . . .
H30C H 0.4654 0.3454 0.3326 0.067 Uiso 1 1 calc R U . . .
B3 B 0.7260(6) 0.8692(4) 0.1930(3) 0.0277(11) Uani 1 1 d . . . . .
H3 H 0.8012 0.9144 0.2023 0.033 Uiso 1 1 calc R U . . .
C17 C 0.4596(5) 0.6819(5) 0.4235(3) 0.0403(13) Uani 1 1 d . . . . .
H17A H 0.4848 0.6332 0.4007 0.060 Uiso 1 1 calc R U . . .
H17B H 0.4379 0.7437 0.3872 0.060 Uiso 1 1 calc R U . . .
H17C H 0.3815 0.6635 0.4554 0.060 Uiso 1 1 calc R U . . .
B4 B 0.5636(6) 0.8545(4) 0.2325(3) 0.0285(12) Uani 1 1 d . . . . .
H4 H 0.5190 0.8881 0.2723 0.034 Uiso 1 1 calc R U . . .
B10 B 0.5849(5) 0.9206(4) 0.1420(3) 0.0263(11) Uani 1 1 d . . . . .
C20 C 0.9196(6) 0.3663(4) 0.1797(4) 0.0513(17) Uani 1 1 d . . . . .
H20A H 0.9263 0.3733 0.2263 0.077 Uiso 1 1 calc R U . . .
H20B H 1.0095 0.3566 0.1598 0.077 Uiso 1 1 calc R U . . .
H20C H 0.8694 0.3110 0.1844 0.077 Uiso 1 1 calc R U . . .
C26 C 0.5368(7) 0.2348(5) 0.0696(3) 0.0494(16) Uani 1 1 d . . . . .
H26 H 0.5268 0.1913 0.0448 0.059 Uiso 1 1 calc R U . . .
C12 C 0.8912(7) 0.8740(5) 0.5379(4) 0.0576(18) Uani 1 1 d . . . . .
H12 H 0.8813 0.9393 0.5355 0.069 Uiso 1 1 calc R U . . .
C16 C 0.5393(6) 0.7709(5) 0.4972(4) 0.0480(15) Uani 1 1 d . . . . .
H16A H 0.4511 0.7627 0.5213 0.072 Uiso 1 1 calc R U . . .
H16B H 0.5372 0.8327 0.4591 0.072 Uiso 1 1 calc R U . . .
H16C H 0.6062 0.7690 0.5312 0.072 Uiso 1 1 calc R U . . .
B8 B 0.5452(5) 0.8535(4) 0.0874(3) 0.0252(11) Uani 1 1 d . . . . .
B9 B 0.4562(6) 0.8371(4) 0.1710(3) 0.0267(11) Uani 1 1 d . . . . .
B1 B 0.7482(5) 0.7409(4) 0.1816(3) 0.0257(11) Uani 1 1 d . . . . .
H1 H 0.8367 0.6884 0.2003 0.031 Uiso 1 1 calc R U . . .
C11 C 0.9499(7) 0.8062(6) 0.5954(4) 0.0562(19) Uani 1 1 d . . . . .
H11 H 0.9806 0.8246 0.6326 0.067 Uiso 1 1 calc R U . . .
B5 B 0.6561(5) 0.7517(4) 0.0973(3) 0.0263(11) Uani 1 1 d . . . . .
H5 H 0.6955 0.7285 0.0513 0.032 Uiso 1 1 calc R U . . .
C21 C 0.8313(6) 0.4480(5) 0.0584(3) 0.0491(16) Uani 1 1 d . . . . .
H21A H 0.7843 0.3911 0.0637 0.074 Uiso 1 1 calc R U . . .
H21B H 0.9196 0.4421 0.0358 0.074 Uiso 1 1 calc R U . . .
H21C H 0.7795 0.5050 0.0290 0.074 Uiso 1 1 calc R U . . .
C31 C 0.2861(6) 0.4544(5) 0.1885(4) 0.0476(15) Uani 1 1 d . . . . .
H31A H 0.2842 0.5178 0.1522 0.071 Uiso 1 1 calc R U . . .
H31B H 0.1967 0.4438 0.2108 0.071 Uiso 1 1 calc R U . . .
H31C H 0.3135 0.4052 0.1664 0.071 Uiso 1 1 calc R U . . .
C37 C 0.1192(6) 0.8176(5) 0.0813(4) 0.0530(18) Uani 1 1 d . . . . .
H37A H 0.0291 0.8215 0.1038 0.064 Uiso 1 1 calc R U . . .
H37B H 0.1862 0.7967 0.1186 0.064 Uiso 1 1 calc R U . . .
B2 B 0.5442(6) 0.7276(4) 0.2307(3) 0.0299(12) Uani 1 1 d . . . . .
H2 H 0.5145 0.6682 0.2791 0.036 Uiso 1 1 calc R U . . .
B6 B 0.4908(6) 0.7412(4) 0.1347(3) 0.0263(11) Uani 1 1 d . . . . .
H6 H 0.4072 0.7111 0.1167 0.032 Uiso 1 1 calc R U . . .
B7 B 0.7181(5) 0.8542(4) 0.1080(3) 0.0262(11) Uani 1 1 d . . . . .
C38 C 0.1071(6) 0.9107(5) -0.0383(4) 0.0467(14) Uani 1 1 d . . . . .
H38A H 0.1823 0.9265 -0.0736 0.056 Uiso 1 1 calc R U . . .
H38B H 0.0314 0.9595 -0.0547 0.056 Uiso 1 1 calc R U . . .
O1 O 0.8055(8) 0.1445(7) 0.3135(5) 0.115(3) Uani 1 1 d . . . . .
C40 C 0.0649(7) 0.8103(5) -0.0292(5) 0.0611(19) Uani 1 1 d . . . . .
H40A H -0.0337 0.8094 -0.0257 0.073 Uiso 1 1 calc R U . . .
H40B H 0.1000 0.7884 -0.0692 0.073 Uiso 1 1 calc R U . . .
C39 C 0.1269(7) 0.7497(5) 0.0389(5) 0.066(2) Uani 1 1 d . . . . .
H39A H 0.2207 0.7275 0.0307 0.079 Uiso 1 1 calc R U . . .
H39B H 0.0758 0.6934 0.0630 0.079 Uiso 1 1 calc R U . . .
C34 C 0.6456(16) 0.0369(7) 0.3313(6) 0.112(5) Uani 1 1 d . . . . .
H34A H 0.6362 -0.0328 0.3506 0.134 Uiso 1 1 calc R U . . .
H34B H 0.5844 0.0644 0.2915 0.134 Uiso 1 1 calc R U . . .
C33 C 0.7844(15) 0.0531(7) 0.3045(7) 0.115(5) Uani 1 1 d . . . . .
H33A H 0.8478 0.0012 0.3325 0.138 Uiso 1 1 calc R U . . .
H33B H 0.7948 0.0571 0.2541 0.138 Uiso 1 1 calc R U . . .
C35 C 0.6068(13) 0.0806(8) 0.3872(7) 0.108(4) Uani 1 1 d . . . . .
H35A H 0.6025 0.0318 0.4348 0.130 Uiso 1 1 calc R U . . .
H35B H 0.5203 0.1198 0.3779 0.130 Uiso 1 1 calc R U . . .
C36 C 0.7234(11) 0.1421(11) 0.3786(7) 0.118(5) Uani 1 1 d . . . . .
H36A H 0.6889 0.2080 0.3757 0.142 Uiso 1 1 calc R U . . .
H36B H 0.7799 0.1158 0.4204 0.142 Uiso 1 1 calc R U . . .
H8 H 0.504(5) 0.895(4) 0.035(3) 0.024(13) Uiso 1 1 d . . . . .
H10A H 0.559(4) 0.998(3) 0.123(3) 0.014(11) Uiso 1 1 d . . . . .
H7 H 0.788(6) 0.891(4) 0.070(3) 0.036(16) Uiso 1 1 d . . . . .
H9A H 0.349(7) 0.859(5) 0.175(4) 0.050(19) Uiso 1 1 d . . . . .
O3 O 0.2021(12) 1.0888(6) 0.1577(4) 0.065(2) Uani 0.733(17) 1 d D U P A 1
C44 C 0.1969(12) 1.1790(7) 0.1649(5) 0.096(3) Uani 1 1 d D U . . .
H44A H 0.1090 1.2139 0.1504 0.115 Uiso 0.733(17) 1 calc R U P A 1
H44B H 0.2672 1.2162 0.1341 0.115 Uiso 0.733(17) 1 calc R U P A 1
H44C H 0.1010 1.1906 0.1539 0.115 Uiso 0.267(17) 1 calc R U P A 2
H44D H 0.2465 1.2313 0.1320 0.115 Uiso 0.267(17) 1 calc R U P A 2
C42 C 0.203(2) 1.0642(11) 0.2790(8) 0.121(6) Uani 0.733(17) 1 d D U P A 1
H42A H 0.1331 1.0579 0.3174 0.145 Uiso 0.733(17) 1 calc R U P A 1
H42B H 0.2884 1.0325 0.2999 0.145 Uiso 0.733(17) 1 calc R U P A 1
C43 C 0.2164(17) 1.1690(9) 0.2359(6) 0.132(4) Uani 1 1 d D U . . .
H43A H 0.1487 1.2108 0.2525 0.158 Uiso 0.733(17) 1 calc R U P A 1
H43B H 0.3063 1.1872 0.2410 0.158 Uiso 0.733(17) 1 calc R U P A 1
H43C H 0.1295 1.1570 0.2622 0.158 Uiso 0.267(17) 1 calc R U P A 2
H43D H 0.2417 1.2310 0.2375 0.158 Uiso 0.267(17) 1 calc R U P A 2
C41 C 0.161(2) 1.0211(10) 0.2225(7) 0.117(6) Uani 0.733(17) 1 d D U P A 1
H41A H 0.2071 0.9570 0.2290 0.141 Uiso 0.733(17) 1 calc R U P A 1
H41B H 0.0628 1.0163 0.2248 0.141 Uiso 0.733(17) 1 calc R U P A 1
C41A C 0.293(5) 1.0290(18) 0.2304(13) 0.093(9) Uani 0.267(17) 1 d D U P A 2
H41C H 0.3779 0.9916 0.2246 0.111 Uiso 0.267(17) 1 calc R U P A 2
H41D H 0.2253 0.9841 0.2543 0.111 Uiso 0.267(17) 1 calc R U P A 2
O3A O 0.249(4) 1.0911(15) 0.1628(10) 0.091(10) Uani 0.267(17) 1 d D U P A 2
C42A C 0.315(5) 1.095(3) 0.2737(19) 0.126(9) Uani 0.267(17) 1 d D U P A 2
H42C H 0.2912 1.0666 0.3247 0.151 Uiso 0.267(17) 1 calc R U P A 2
H42D H 0.4066 1.1164 0.2673 0.151 Uiso 0.267(17) 1 calc R U P A 2


_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 Si1 2.6266(13) . ?
Bi1 Si2 2.6138(13) . ?
K1 K1 4.484(2) 2_675 ?
K1 O2 2.627(4) . ?
K1 B10 3.321(6) . ?
K1 B8 3.249(6) 2_675 ?
K1 B8 3.210(6) . ?
K1 B9 3.223(6) . ?
K1 B7 3.238(6) 2_675 ?
K1 H8 2.70(5) . ?
K1 H10A 2.87(5) . ?
K1 H9A 2.77(7) . ?
K1 O3 2.639(7) . ?
K1 O3A 2.648(14) . ?
Si1 N2 1.837(4) . ?
Si1 N1 1.842(4) . ?
Si1 C1 1.786(5) . ?
Si1 C7 2.301(5) . ?
Si2 N3 1.846(4) . ?
Si2 N4 1.857(4) . ?
Si2 C22 2.305(5) . ?
Si2 C2 1.789(5) . ?
O2 C37 1.442(7) . ?
O2 C38 1.439(8) . ?
N3 C22 1.334(6) . ?
N3 C18 1.489(6) . ?
N2 C7 1.337(6) . ?
N2 C14 1.493(6) . ?
N1 C3 1.485(6) . ?
N1 C7 1.345(6) . ?
N4 C22 1.342(6) . ?
N4 C29 1.476(6) . ?
C23 C24 1.390(7) . ?
C23 C22 1.485(6) . ?
C23 C28 1.399(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(8) . ?
C1 B3 1.636(7) . ?
C1 B4 1.651(7) . ?
C1 B1 1.672(7) . ?
C1 B2 1.748(7) . ?
C3 C5 1.521(7) . ?
C3 C4 1.543(7) . ?
C3 C6 1.524(8) . ?
C8 C7 1.484(7) . ?
C8 C13 1.392(7) . ?
C8 C9 1.389(7) . ?
C29 C32 1.517(7) . ?
C29 C30 1.525(8) . ?
C29 C31 1.526(8) . ?
C2 B1 1.746(7) . ?
C2 B5 1.647(7) . ?
C2 B2 1.676(8) . ?
C2 B6 1.635(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C28 H28 0.9500 . ?
C28 C27 1.370(8) . ?
C14 C15 1.520(8) . ?
C14 C17 1.524(7) . ?
C14 C16 1.531(8) . ?
C13 H13 0.9500 . ?
C13 C12 1.379(9) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C9 H9 0.9500 . ?
C9 C10 1.398(8) . ?
C18 C19 1.525(7) . ?
C18 C20 1.529(8) . ?
C18 C21 1.506(8) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.379(9) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C26 1.391(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C11 1.380(10) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
B3 H3 1.1200 . ?
B3 B4 1.768(8) . ?
B3 B10 1.762(8) . ?
B3 B1 1.981(8) . ?
B3 B7 1.793(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
B4 H4 1.1200 . ?
B4 B10 1.763(8) . ?
B4 B9 1.784(8) . ?
B4 B2 1.924(8) . ?
B10 B8 1.786(8) . ?
B10 B9 1.814(8) . ?
B10 B7 1.812(8) . ?
B10 H10A 1.10(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C26 H26 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.377(11) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
B8 K1 3.249(6) 2_675 ?
B8 B9 1.798(8) . ?
B8 B5 1.751(8) . ?
B8 B6 1.745(8) . ?
B8 B7 1.815(8) . ?
B8 H8 1.11(5) . ?
B9 B2 1.853(8) . ?
B9 B6 1.796(8) . ?
B9 H9A 1.10(6) . ?
B1 H1 1.1200 . ?
B1 B5 1.931(8) . ?
B1 B7 1.848(8) . ?
C11 H11 0.9500 . ?
B5 H5 1.1200 . ?
B5 B6 1.777(8) . ?
B5 B7 1.779(8) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C39 1.509(11) . ?
B2 H2 1.1200 . ?
B2 B6 1.969(8) . ?
B6 H6 1.1200 . ?
B7 K1 3.238(6) 2_675 ?
B7 H7 1.06(6) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C40 1.539(9) . ?
O1 C33 1.462(13) . ?
O1 C36 1.486(13) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C39 1.500(11) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C33 1.474(17) . ?
C34 C35 1.481(16) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.522(15) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
O3 C44 1.388(12) . ?
O3 C41 1.420(15) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 H44C 0.9900 . ?
C44 H44D 0.9900 . ?
C44 C43 1.402(15) . ?
C44 O3A 1.369(17) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.526(18) . ?
C42 C41 1.57(2) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 H43C 0.9900 . ?
C43 H43D 0.9900 . ?
C43 C42A 1.45(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41A H41C 0.9900 . ?
C41A H41D 0.9900 . ?
C41A O3A 1.43(2) . ?
C41A C42A 1.54(3) . ?
C42A H42C 0.9900 . ?
C42A H42D 0.9900 . ?

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
Si2 Bi1 Si1 90.27(4) . . ?
K1 K1 H8 33.1(11) 2_675 . ?
K1 K1 H10A 58.6(9) 2_675 . ?
K1 K1 H9A 96.4(14) 2_675 . ?
O2 K1 K1 104.69(11) . 2_675 ?
O2 K1 B10 118.10(14) . . ?
O2 K1 B8 90.49(14) . . ?
O2 K1 B8 109.98(14) . 2_675 ?
O2 K1 B9 89.97(14) . . ?
O2 K1 B7 85.01(14) . 2_675 ?
O2 K1 H8 84.4(11) . . ?
O2 K1 H10A 136.8(9) . . ?
O2 K1 H9A 80.4(14) . . ?
O2 K1 O3 111.6(3) . . ?
O2 K1 O3A 121.1(10) . . ?
B10 K1 K1 57.72(10) . 2_675 ?
B10 K1 H8 47.4(11) . . ?
B10 K1 H10A 18.7(9) . . ?
B10 K1 H9A 49.5(14) . . ?
B8 K1 K1 45.68(10) 2_675 2_675 ?
B8 K1 K1 46.39(10) . 2_675 ?
B8 K1 B10 95.95(14) 2_675 . ?
B8 K1 B10 31.69(14) . . ?
B8 K1 B8 92.07(14) . 2_675 ?
B8 K1 B9 32.46(14) . . ?
B8 K1 B7 113.49(15) . 2_675 ?
B8 K1 H8 19.3(12) . . ?
B8 K1 H8 77.1(12) 2_675 . ?
B8 K1 H10A 86.6(10) 2_675 . ?
B8 K1 H10A 48.1(9) . . ?
B8 K1 H9A 141.7(14) 2_675 . ?
B8 K1 H9A 50.2(14) . . ?
B9 K1 K1 77.58(11) . 2_675 ?
B9 K1 B10 32.14(14) . . ?
B9 K1 B8 122.48(15) . 2_675 ?
B9 K1 B7 145.66(15) . 2_675 ?
B9 K1 H8 51.0(12) . . ?
B9 K1 H10A 49.3(10) . . ?
B9 K1 H9A 19.4(13) . . ?
B7 K1 K1 70.99(10) 2_675 2_675 ?
B7 K1 B10 127.09(14) 2_675 . ?
B7 K1 B8 32.50(13) 2_675 2_675 ?
B7 K1 H8 94.7(12) 2_675 . ?
B7 K1 H10A 119.1(10) 2_675 . ?
B7 K1 H9A 157.7(14) 2_675 . ?
H8 K1 H10A 60.0(14) . . ?
H8 K1 H9A 67.2(18) . . ?
H10A K1 H9A 64.3(17) . . ?
O3 K1 K1 142.4(3) . 2_675 ?
O3 K1 B10 95.3(3) . . ?
O3 K1 B8 122.2(2) . . ?
O3 K1 B8 124.5(2) . 2_675 ?
O3 K1 B9 92.6(2) . . ?
O3 K1 B7 120.8(2) . 2_675 ?
O3 K1 H8 141.3(12) . . ?
O3 K1 H10A 87.4(10) . . ?
O3 K1 H9A 80.5(14) . . ?
O3A K1 K1 131.8(10) . 2_675 ?
O3A K1 B10 86.1(8) . . ?
O3A K1 B8 120.4(8) . 2_675 ?
O3A K1 B8 114.8(6) . . ?
O3A K1 B9 87.6(5) . . ?
O3A K1 B7 123.8(4) . 2_675 ?
O3A K1 H8 133.1(13) . . ?
O3A K1 H10A 76.9(13) . . ?
O3A K1 H9A 78.4(15) . . ?
N2 Si1 Bi1 115.14(14) . . ?
N2 Si1 N1 71.24(18) . . ?
N2 Si1 C7 35.52(17) . . ?
N1 Si1 Bi1 113.79(13) . . ?
N1 Si1 C7 35.78(17) . . ?
C1 Si1 Bi1 116.52(16) . . ?
C1 Si1 N2 115.9(2) . . ?
C1 Si1 N1 116.5(2) . . ?
C1 Si1 C7 124.4(2) . . ?
C7 Si1 Bi1 119.04(13) . . ?
N3 Si2 Bi1 115.19(13) . . ?
N3 Si2 N4 70.93(17) . . ?
N3 Si2 C22 35.34(16) . . ?
N4 Si2 Bi1 117.62(14) . . ?
N4 Si2 C22 35.60(17) . . ?
C22 Si2 Bi1 122.26(12) . . ?
C2 Si2 Bi1 115.93(16) . . ?
C2 Si2 N3 115.5(2) . . ?
C2 Si2 N4 114.1(2) . . ?
C2 Si2 C22 121.8(2) . . ?
C37 O2 K1 121.4(4) . . ?
C38 O2 K1 127.8(3) . . ?
C38 O2 C37 108.7(5) . . ?
C22 N3 Si2 91.5(3) . . ?
C22 N3 C18 131.4(4) . . ?
C18 N3 Si2 136.8(3) . . ?
C7 N2 Si1 91.5(3) . . ?
C7 N2 C14 129.0(4) . . ?
C14 N2 Si1 135.8(3) . . ?
C3 N1 Si1 137.2(3) . . ?
C7 N1 Si1 91.0(3) . . ?
C7 N1 C3 131.0(4) . . ?
C22 N4 Si2 90.8(3) . . ?
C22 N4 C29 129.9(4) . . ?
C29 N4 Si2 138.4(3) . . ?
C24 C23 C22 122.0(4) . . ?
C24 C23 C28 119.6(5) . . ?
C28 C23 C22 118.4(4) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 C23 119.0(5) . . ?
C25 C24 H24 120.5 . . ?
B3 C1 Si1 139.2(4) . . ?
B3 C1 B4 65.1(3) . . ?
B3 C1 B1 73.6(4) . . ?
B3 C1 B2 111.9(4) . . ?
B4 C1 Si1 134.8(4) . . ?
B4 C1 B1 112.0(4) . . ?
B4 C1 B2 68.9(3) . . ?
B1 C1 Si1 112.0(3) . . ?
B1 C1 B2 80.6(3) . . ?
B2 C1 Si1 108.9(3) . . ?
N3 C22 Si2 53.2(2) . . ?
N3 C22 N4 106.8(4) . . ?
N3 C22 C23 125.5(4) . . ?
N4 C22 Si2 53.6(2) . . ?
N4 C22 C23 127.7(4) . . ?
C23 C22 Si2 178.5(4) . . ?
N1 C3 C5 109.2(4) . . ?
N1 C3 C4 111.8(4) . . ?
N1 C3 C6 106.1(4) . . ?
C5 C3 C4 110.6(4) . . ?
C5 C3 C6 109.9(5) . . ?
C6 C3 C4 109.2(5) . . ?
C13 C8 C7 119.3(5) . . ?
C9 C8 C7 121.4(5) . . ?
C9 C8 C13 119.3(5) . . ?
N4 C29 C32 106.9(4) . . ?
N4 C29 C30 108.9(4) . . ?
N4 C29 C31 111.9(4) . . ?
C32 C29 C30 109.9(5) . . ?
C32 C29 C31 108.7(5) . . ?
C30 C29 C31 110.5(5) . . ?
B1 C2 Si2 112.9(3) . . ?
B5 C2 Si2 138.2(4) . . ?
B5 C2 B1 69.3(3) . . ?
B5 C2 B2 111.8(4) . . ?
B2 C2 Si2 109.5(3) . . ?
B2 C2 B1 80.6(3) . . ?
B6 C2 Si2 134.4(4) . . ?
B6 C2 B1 112.4(4) . . ?
B6 C2 B5 65.6(3) . . ?
B6 C2 B2 73.0(4) . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C7 Si1 52.9(2) . . ?
N2 C7 N1 106.0(4) . . ?
N2 C7 C8 127.3(4) . . ?
N1 C7 Si1 53.2(2) . . ?
N1 C7 C8 126.6(4) . . ?
C8 C7 Si1 179.4(4) . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C23 C28 H28 119.7 . . ?
C27 C28 C23 120.7(5) . . ?
C27 C28 H28 119.7 . . ?
N2 C14 C15 109.1(4) . . ?
N2 C14 C17 106.2(4) . . ?
N2 C14 C16 111.2(4) . . ?
C15 C14 C17 108.9(5) . . ?
C15 C14 C16 112.2(5) . . ?
C17 C14 C16 109.2(5) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 C8 120.7(6) . . ?
C12 C13 H13 119.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C8 C9 H9 120.3 . . ?
C8 C9 C10 119.4(6) . . ?
C10 C9 H9 120.3 . . ?
N3 C18 C19 105.7(4) . . ?
N3 C18 C20 108.4(5) . . ?
N3 C18 C21 112.5(4) . . ?
C19 C18 C20 109.1(5) . . ?
C21 C18 C19 109.6(5) . . ?
C21 C18 C20 111.3(5) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.3(6) . . ?
C26 C25 H25 119.4 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C28 C27 H27 120.1 . . ?
C28 C27 C26 119.7(5) . . ?
C26 C27 H27 120.1 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.7(6) . . ?
C11 C10 H10 119.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C1 B3 H3 122.5 . . ?
C1 B3 B4 57.9(3) . . ?
C1 B3 B10 108.1(4) . . ?
C1 B3 B1 54.0(3) . . ?
C1 B3 B7 107.0(4) . . ?
B4 B3 H3 126.5 . . ?
B4 B3 B1 94.4(3) . . ?
B4 B3 B7 106.1(4) . . ?
B10 B3 H3 121.7 . . ?
B10 B3 B4 59.9(3) . . ?
B10 B3 B1 101.0(4) . . ?
B10 B3 B7 61.3(3) . . ?
B1 B3 H3 130.9 . . ?
B7 B3 H3 120.6 . . ?
B7 B3 B1 58.4(3) . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C1 B4 B3 57.1(3) . . ?
C1 B4 H4 121.4 . . ?
C1 B4 B10 107.4(4) . . ?
C1 B4 B9 110.9(4) . . ?
C1 B4 B2 57.9(3) . . ?
B3 B4 H4 125.3 . . ?
B3 B4 B9 108.7(4) . . ?
B3 B4 B2 98.7(4) . . ?
B10 B4 B3 59.9(3) . . ?
B10 B4 H4 122.4 . . ?
B10 B4 B9 61.5(3) . . ?
B10 B4 B2 102.8(4) . . ?
B9 B4 H4 118.6 . . ?
B9 B4 B2 59.8(3) . . ?
B2 B4 H4 127.6 . . ?
K1 B10 H10A 57(2) . . ?
B3 B10 K1 175.1(4) . . ?
B3 B10 B4 60.2(3) . . ?
B3 B10 B8 112.8(4) . . ?
B3 B10 B9 107.7(4) . . ?
B3 B10 B7 60.2(3) . . ?
B3 B10 H10A 122(2) . . ?
B4 B10 K1 115.8(3) . . ?
B4 B10 B8 111.0(4) . . ?
B4 B10 B9 59.8(3) . . ?
B4 B10 B7 105.5(4) . . ?
B4 B10 H10A 120(3) . . ?
B8 B10 K1 70.7(2) . . ?
B8 B10 B9 59.9(3) . . ?
B8 B10 B7 60.6(3) . . ?
B8 B10 H10A 118(3) . . ?
B9 B10 K1 71.0(2) . . ?
B9 B10 H10A 121(2) . . ?
B7 B10 K1 124.5(3) . . ?
B7 B10 B9 103.1(4) . . ?
B7 B10 H10A 127(2) . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C25 C26 C27 119.6(5) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C13 C12 H12 119.9 . . ?
C11 C12 C13 120.3(6) . . ?
C11 C12 H12 119.9 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
K1 B8 K1 87.93(14) . 2_675 ?
K1 B8 H8 54(3) . . ?
K1 B8 H8 50(3) 2_675 . ?
B10 B8 K1 97.3(3) . 2_675 ?
B10 B8 K1 77.6(3) . . ?
B10 B8 B9 60.8(3) . . ?
B10 B8 B7 60.4(3) . . ?
B10 B8 H8 116(3) . . ?
B9 B8 K1 153.9(3) . 2_675 ?
B9 B8 K1 74.2(2) . . ?
B9 B8 B7 103.7(4) . . ?
B9 B8 H8 125(3) . . ?
B5 B8 K1 169.6(3) . . ?
B5 B8 K1 93.9(3) . 2_675 ?
B5 B8 B10 112.2(4) . . ?
B5 B8 B9 107.2(4) . . ?
B5 B8 B7 59.8(3) . . ?
B5 B8 H8 121(3) . . ?
B6 B8 K1 112.6(3) . . ?
B6 B8 K1 145.1(3) . 2_675 ?
B6 B8 B10 114.0(4) . . ?
B6 B8 B9 60.9(3) . . ?
B6 B8 B5 61.1(3) . . ?
B6 B8 B7 108.3(4) . . ?
B6 B8 H8 121(3) . . ?
B7 B8 K1 73.4(2) . 2_675 ?
B7 B8 K1 130.3(3) . . ?
B7 B8 H8 123(3) . . ?
K1 B9 H9A 57(4) . . ?
B4 B9 K1 119.5(3) . . ?
B4 B9 B10 58.7(3) . . ?
B4 B9 B8 109.5(4) . . ?
B4 B9 B2 63.9(3) . . ?
B4 B9 B6 121.8(4) . . ?
B4 B9 H9A 118(4) . . ?
B10 B9 K1 76.9(3) . . ?
B10 B9 B2 103.7(4) . . ?
B10 B9 H9A 124(4) . . ?
B8 B9 K1 73.4(2) . . ?
B8 B9 B10 59.3(3) . . ?
B8 B9 B2 103.2(4) . . ?
B8 B9 H9A 123(4) . . ?
B2 B9 K1 175.7(3) . . ?
B2 B9 H9A 125(4) . . ?
B6 B9 K1 110.5(3) . . ?
B6 B9 B10 110.3(4) . . ?
B6 B9 B8 58.1(3) . . ?
B6 B9 B2 65.3(3) . . ?
B6 B9 H9A 114(4) . . ?
C1 B1 C2 97.8(4) . . ?
C1 B1 B3 52.4(3) . . ?
C1 B1 H1 105.7 . . ?
C1 B1 B5 127.8(4) . . ?
C1 B1 B7 103.1(4) . . ?
C2 B1 B3 126.0(4) . . ?
C2 B1 H1 106.1 . . ?
C2 B1 B5 52.9(3) . . ?
C2 B1 B7 103.1(4) . . ?
B3 B1 H1 123.7 . . ?
B5 B1 B3 106.4(3) . . ?
B5 B1 H1 122.6 . . ?
B7 B1 B3 55.7(3) . . ?
B7 B1 H1 135.2 . . ?
B7 B1 B5 56.1(3) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.7(6) . . ?
C12 C11 H11 120.2 . . ?
C2 B5 B8 106.8(4) . . ?
C2 B5 B1 57.8(3) . . ?
C2 B5 H5 121.8 . . ?
C2 B5 B6 56.9(3) . . ?
C2 B5 B7 110.5(4) . . ?
B8 B5 B1 102.7(4) . . ?
B8 B5 H5 122.6 . . ?
B8 B5 B6 59.3(3) . . ?
B8 B5 B7 61.9(3) . . ?
B1 B5 H5 127.7 . . ?
B6 B5 B1 98.5(4) . . ?
B6 B5 H5 125.6 . . ?
B6 B5 B7 108.4(4) . . ?
B7 B5 B1 59.6(3) . . ?
B7 B5 H5 118.6 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O2 C37 H37A 110.9 . . ?
O2 C37 H37B 110.9 . . ?
O2 C37 C39 104.4(6) . . ?
H37A C37 H37B 108.9 . . ?
C39 C37 H37A 110.9 . . ?
C39 C37 H37B 110.9 . . ?
C1 B2 B4 53.2(3) . . ?
C1 B2 B9 103.6(4) . . ?
C1 B2 H2 105.9 . . ?
C1 B2 B6 126.5(4) . . ?
C2 B2 C1 97.6(4) . . ?
C2 B2 B4 127.9(4) . . ?
C2 B2 B9 103.4(4) . . ?
C2 B2 H2 105.6 . . ?
C2 B2 B6 52.6(3) . . ?
B4 B2 H2 122.4 . . ?
B4 B2 B6 106.9(4) . . ?
B9 B2 B4 56.3(3) . . ?
B9 B2 H2 134.9 . . ?
B9 B2 B6 56.0(3) . . ?
B6 B2 H2 123.3 . . ?
C2 B6 B8 107.5(4) . . ?
C2 B6 B9 107.7(4) . . ?
C2 B6 B5 57.5(3) . . ?
C2 B6 B2 54.5(3) . . ?
C2 B6 H6 122.4 . . ?
B8 B6 B9 61.0(3) . . ?
B8 B6 B5 59.6(3) . . ?
B8 B6 B2 100.6(4) . . ?
B8 B6 H6 122.2 . . ?
B9 B6 B2 58.8(3) . . ?
B9 B6 H6 120.2 . . ?
B5 B6 B9 106.2(4) . . ?
B5 B6 B2 94.4(4) . . ?
B5 B6 H6 126.7 . . ?
B2 B6 H6 130.7 . . ?
K1 B7 H7 48(3) 2_675 . ?
B3 B7 K1 140.5(3) . 2_675 ?
B3 B7 B10 58.5(3) . . ?
B3 B7 B8 110.0(4) . . ?
B3 B7 B1 65.9(3) . . ?
B3 B7 H7 114(3) . . ?
B10 B7 K1 97.1(3) . 2_675 ?
B10 B7 B8 59.0(3) . . ?
B10 B7 B1 104.3(4) . . ?
B10 B7 H7 120(3) . . ?
B8 B7 K1 74.1(2) . 2_675 ?
B8 B7 B1 103.5(4) . . ?
B8 B7 H7 122(3) . . ?
B1 B7 K1 153.2(3) . 2_675 ?
B1 B7 H7 128(3) . . ?
B5 B7 K1 93.6(3) . 2_675 ?
B5 B7 B3 122.6(4) . . ?
B5 B7 B10 109.7(4) . . ?
B5 B7 B8 58.3(3) . . ?
B5 B7 B1 64.3(3) . . ?
B5 B7 H7 118(3) . . ?
O2 C38 H38A 110.4 . . ?
O2 C38 H38B 110.4 . . ?
O2 C38 C40 106.7(5) . . ?
H38A C38 H38B 108.6 . . ?
C40 C38 H38A 110.4 . . ?
C40 C38 H38B 110.4 . . ?
C33 O1 C36 102.9(10) . . ?
C38 C40 H40A 111.2 . . ?
C38 C40 H40B 111.2 . . ?
H40A C40 H40B 109.1 . . ?
C39 C40 C38 103.0(6) . . ?
C39 C40 H40A 111.2 . . ?
C39 C40 H40B 111.2 . . ?
C37 C39 H39A 111.2 . . ?
C37 C39 H39B 111.2 . . ?
C40 C39 C37 102.7(6) . . ?
C40 C39 H39A 111.2 . . ?
C40 C39 H39B 111.2 . . ?
H39A C39 H39B 109.1 . . ?
H34A C34 H34B 107.9 . . ?
C33 C34 H34A 109.2 . . ?
C33 C34 H34B 109.2 . . ?
C33 C34 C35 111.9(11) . . ?
C35 C34 H34A 109.2 . . ?
C35 C34 H34B 109.2 . . ?
O1 C33 C34 103.5(10) . . ?
O1 C33 H33A 111.1 . . ?
O1 C33 H33B 111.1 . . ?
C34 C33 H33A 111.1 . . ?
C34 C33 H33B 111.1 . . ?
H33A C33 H33B 109.0 . . ?
C34 C35 H35A 111.9 . . ?
C34 C35 H35B 111.9 . . ?
C34 C35 C36 99.5(11) . . ?
H35A C35 H35B 109.6 . . ?
C36 C35 H35A 111.9 . . ?
C36 C35 H35B 111.9 . . ?
O1 C36 C35 110.7(9) . . ?
O1 C36 H36A 109.5 . . ?
O1 C36 H36B 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C44 O3 K1 132.3(7) . . ?
C44 O3 C41 109.9(8) . . ?
C41 O3 K1 116.9(7) . . ?
O3 C44 H44A 109.9 . . ?
O3 C44 H44B 109.9 . . ?
O3 C44 C43 109.1(9) . . ?
H44A C44 H44B 108.3 . . ?
H44C C44 H44D 109.4 . . ?
C43 C44 H44A 109.9 . . ?
C43 C44 H44B 109.9 . . ?
C43 C44 H44C 111.6 . . ?
C43 C44 H44D 111.6 . . ?
O3A C44 H44C 111.6 . . ?
O3A C44 H44D 111.6 . . ?
O3A C44 C43 100.6(12) . . ?
H42A C42 H42B 109.1 . . ?
C43 C42 H42A 111.2 . . ?
C43 C42 H42B 111.2 . . ?
C43 C42 C41 102.9(12) . . ?
C41 C42 H42A 111.2 . . ?
C41 C42 H42B 111.2 . . ?
C44 C43 C42 107.1(11) . . ?
C44 C43 H43A 110.3 . . ?
C44 C43 H43B 110.3 . . ?
C44 C43 H43C 107.9 . . ?
C44 C43 H43D 107.9 . . ?
C44 C43 C42A 117.8(15) . . ?
C42 C43 H43A 110.3 . . ?
C42 C43 H43B 110.3 . . ?
H43A C43 H43B 108.6 . . ?
H43C C43 H43D 107.2 . . ?
C42A C43 H43C 107.9 . . ?
C42A C43 H43D 107.9 . . ?
O3 C41 C42 102.5(12) . . ?
O3 C41 H41A 111.3 . . ?
O3 C41 H41B 111.3 . . ?
C42 C41 H41A 111.3 . . ?
C42 C41 H41B 111.3 . . ?
H41A C41 H41B 109.2 . . ?
H41C C41A H41D 108.7 . . ?
O3A C41A H41C 110.6 . . ?
O3A C41A H41D 110.6 . . ?
O3A C41A C42A 105.9(19) . . ?
C42A C41A H41C 110.6 . . ?
C42A C41A H41D 110.6 . . ?
C44 O3A K1 133.0(12) . . ?
C44 O3A C41A 112.6(14) . . ?
C41A O3A K1 114.0(13) . . ?
C43 C42A C41A 93.5(17) . . ?
C43 C42A H42C 113.0 . . ?
C43 C42A H42D 113.0 . . ?
C41A C42A H42C 113.0 . . ?
C41A C42A H42D 113.0 . . ?
H42C C42A H42D 110.4 . . ?

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 Si1 N2 C7 105.4(3) . . . . ?
Bi1 Si1 N2 C14 -53.1(5) . . . . ?
Bi1 Si1 N1 C3 62.9(5) . . . . ?
Bi1 Si1 N1 C7 -107.2(3) . . . . ?
Bi1 Si1 C1 B3 -132.1(5) . . . . ?
Bi1 Si1 C1 B4 123.9(4) . . . . ?
Bi1 Si1 C1 B1 -42.1(4) . . . . ?
Bi1 Si1 C1 B2 45.2(4) . . . . ?
Bi1 Si2 N3 C22 110.9(3) . . . . ?
Bi1 Si2 N3 C18 -62.6(5) . . . . ?
Bi1 Si2 N4 C22 -107.7(3) . . . . ?
Bi1 Si2 N4 C29 61.2(5) . . . . ?
Bi1 Si2 C2 B1 40.2(4) . . . . ?
Bi1 Si2 C2 B5 124.3(5) . . . . ?
Bi1 Si2 C2 B2 -47.6(4) . . . . ?
Bi1 Si2 C2 B6 -132.5(4) . . . . ?
K1 O2 C37 C39 -136.9(4) . . . . ?
K1 O2 C38 C40 157.2(4) . . . . ?
K1 B10 B8 K1 86.24(14) . . . 2_675 ?
K1 B10 B8 B9 -78.6(2) . . . . ?
K1 B10 B8 B5 -176.5(4) . . . . ?
K1 B10 B8 B6 -109.4(4) . . . . ?
K1 B10 B8 B7 152.4(3) . . . . ?
K1 B10 B9 B4 -137.1(3) . . . . ?
K1 B10 B9 B8 78.3(3) . . . . ?
K1 B10 B9 B2 175.6(3) . . . . ?
K1 B10 B9 B6 107.3(3) . . . . ?
K1 B10 B7 K1 34.5(3) . . . 2_675 ?
K1 B10 B7 B3 -178.8(4) . . . . ?
K1 B10 B7 B8 -32.0(3) . . . . ?
K1 B10 B7 B1 -129.4(3) . . . . ?
K1 B10 B7 B5 -62.0(5) . . . . ?
K1 B8 B9 K1 48.3(7) 2_675 . . . ?
K1 B8 B9 B4 -116.1(3) . . . . ?
K1 B8 B9 B4 -67.7(8) 2_675 . . . ?
K1 B8 B9 B10 -36.1(7) 2_675 . . . ?
K1 B8 B9 B10 -84.4(3) . . . . ?
K1 B8 B9 B2 -134.3(6) 2_675 . . . ?
K1 B8 B9 B2 177.3(3) . . . . ?
K1 B8 B9 B6 176.3(7) 2_675 . . . ?
K1 B8 B9 B6 128.0(3) . . . . ?
K1 B8 B5 C2 173.0(3) 2_675 . . . ?
K1 B8 B5 C2 -87.4(19) . . . . ?
K1 B8 B5 B1 113.2(3) 2_675 . . . ?
K1 B8 B5 B1 -147.2(18) . . . . ?
K1 B8 B5 B6 -154.4(3) 2_675 . . . ?
K1 B8 B5 B6 -54.8(19) . . . . ?
K1 B8 B5 B7 167.9(19) . . . . ?
K1 B8 B5 B7 68.3(3) 2_675 . . . ?
K1 B8 B6 C2 81.9(6) 2_675 . . . ?
K1 B8 B6 C2 -156.1(3) . . . . ?
K1 B8 B6 B9 -55.2(3) . . . . ?
K1 B8 B6 B9 -177.2(6) 2_675 . . . ?
K1 B8 B6 B5 48.9(5) 2_675 . . . ?
K1 B8 B6 B5 170.8(4) . . . . ?
K1 B8 B6 B2 137.8(5) 2_675 . . . ?
K1 B8 B6 B2 -100.3(3) . . . . ?
K1 B8 B7 K1 -72.5(3) . . . 2_675 ?
K1 B8 B7 B3 138.6(4) 2_675 . . . ?
K1 B8 B7 B3 66.2(5) . . . . ?
K1 B8 B7 B10 36.3(4) . . . . ?
K1 B8 B7 B10 108.8(3) 2_675 . . . ?
K1 B8 B7 B1 135.1(3) . . . . ?
K1 B8 B7 B1 -152.4(3) 2_675 . . . ?
K1 B8 B7 B5 -177.2(4) . . . . ?
K1 B8 B7 B5 -104.7(3) 2_675 . . . ?
K1 B9 B6 C2 154.4(3) . . . . ?
K1 B9 B6 B8 53.7(3) . . . . ?
K1 B9 B6 B5 94.0(4) . . . . ?
K1 B9 B6 B2 179.3(4) . . . . ?
K1 O3 C44 C43 -140.6(10) . . . . ?
K1 O3 C41 C42 141.2(11) . . . . ?
Si1 N2 C7 N1 3.7(4) . . . . ?
Si1 N2 C7 C8 -179.2(5) . . . . ?
Si1 N2 C14 C15 87.9(6) . . . . ?
Si1 N2 C14 C17 -29.3(7) . . . . ?
Si1 N2 C14 C16 -147.9(4) . . . . ?
Si1 N1 C3 C5 -91.9(6) . . . . ?
Si1 N1 C3 C4 145.5(5) . . . . ?
Si1 N1 C3 C6 26.6(7) . . . . ?
Si1 N1 C7 N2 -3.7(4) . . . . ?
Si1 N1 C7 C8 179.2(4) . . . . ?
Si1 C1 B3 B4 -130.6(6) . . . . ?
Si1 C1 B3 B10 -164.6(4) . . . . ?
Si1 C1 B3 B1 104.9(6) . . . . ?
Si1 C1 B3 B7 130.8(5) . . . . ?
Si1 C1 B4 B3 135.6(5) . . . . ?
Si1 C1 B4 B10 169.5(4) . . . . ?
Si1 C1 B4 B9 -125.1(5) . . . . ?
Si1 C1 B4 B2 -96.1(5) . . . . ?
Si1 C1 B1 C2 92.9(4) . . . . ?
Si1 C1 B1 B3 -137.1(4) . . . . ?
Si1 C1 B1 B5 141.3(4) . . . . ?
Si1 C1 B1 B7 -161.7(3) . . . . ?
Si1 C1 B2 C2 -95.8(4) . . . . ?
Si1 C1 B2 B4 131.7(4) . . . . ?
Si1 C1 B2 B9 158.3(3) . . . . ?
Si1 C1 B2 B6 -144.2(4) . . . . ?
Si2 N3 C22 N4 1.9(4) . . . . ?
Si2 N3 C22 C23 179.2(4) . . . . ?
Si2 N3 C18 C19 -22.2(7) . . . . ?
Si2 N3 C18 C20 94.7(6) . . . . ?
Si2 N3 C18 C21 -141.8(5) . . . . ?
Si2 N4 C22 N3 -1.9(4) . . . . ?
Si2 N4 C22 C23 -179.1(4) . . . . ?
Si2 N4 C29 C32 16.4(7) . . . . ?
Si2 N4 C29 C30 -102.2(6) . . . . ?
Si2 N4 C29 C31 135.3(5) . . . . ?
Si2 C2 B1 C1 -92.9(4) . . . . ?
Si2 C2 B1 B3 -141.5(4) . . . . ?
Si2 C2 B1 B5 134.9(4) . . . . ?
Si2 C2 B1 B7 161.6(3) . . . . ?
Si2 C2 B5 B8 163.8(4) . . . . ?
Si2 C2 B5 B1 -101.6(5) . . . . ?
Si2 C2 B5 B6 130.2(6) . . . . ?
Si2 C2 B5 B7 -130.6(5) . . . . ?
Si2 C2 B2 C1 97.3(4) . . . . ?
Si2 C2 B2 B4 145.7(4) . . . . ?
Si2 C2 B2 B9 -156.7(3) . . . . ?
Si2 C2 B2 B6 -131.9(4) . . . . ?
Si2 C2 B6 B8 -168.5(4) . . . . ?
Si2 C2 B6 B9 127.2(5) . . . . ?
Si2 C2 B6 B5 -134.6(5) . . . . ?
Si2 C2 B6 B2 100.9(5) . . . . ?
O2 C37 C39 C40 -38.3(7) . . . . ?
O2 C38 C40 C39 -17.9(8) . . . . ?
N3 Si2 N4 C22 1.4(3) . . . . ?
N3 Si2 N4 C29 170.3(5) . . . . ?
N3 Si2 C2 B1 -98.9(3) . . . . ?
N3 Si2 C2 B5 -14.8(6) . . . . ?
N3 Si2 C2 B2 173.3(3) . . . . ?
N3 Si2 C2 B6 88.4(5) . . . . ?
N2 Si1 N1 C3 172.8(5) . . . . ?
N2 Si1 N1 C7 2.7(3) . . . . ?
N2 Si1 C1 B3 87.5(6) . . . . ?
N2 Si1 C1 B4 -16.4(5) . . . . ?
N2 Si1 C1 B1 177.6(3) . . . . ?
N2 Si1 C1 B2 -95.1(3) . . . . ?
N1 Si1 N2 C7 -2.7(3) . . . . ?
N1 Si1 N2 C14 -161.2(5) . . . . ?
N1 Si1 C1 B3 6.6(7) . . . . ?
N1 Si1 C1 B4 -97.3(5) . . . . ?
N1 Si1 C1 B1 96.7(3) . . . . ?
N1 Si1 C1 B2 -176.0(3) . . . . ?
N4 Si2 N3 C22 -1.4(3) . . . . ?
N4 Si2 N3 C18 -174.9(5) . . . . ?
N4 Si2 C2 B1 -178.3(3) . . . . ?
N4 Si2 C2 B5 -94.2(5) . . . . ?
N4 Si2 C2 B2 93.9(3) . . . . ?
N4 Si2 C2 B6 8.9(6) . . . . ?
C23 C24 C25 C26 1.0(9) . . . . ?
C23 C28 C27 C26 2.1(9) . . . . ?
C24 C23 C22 N3 80.8(7) . . . . ?
C24 C23 C22 N4 -102.5(6) . . . . ?
C24 C23 C28 C27 -3.2(8) . . . . ?
C24 C25 C26 C27 -2.1(10) . . . . ?
C1 Si1 N2 C7 -113.7(3) . . . . ?
C1 Si1 N2 C14 87.8(5) . . . . ?
C1 Si1 N1 C3 -76.9(5) . . . . ?
C1 Si1 N1 C7 113.0(3) . . . . ?
C1 B3 B4 B10 -142.1(4) . . . . ?
C1 B3 B4 B9 -103.3(4) . . . . ?
C1 B3 B4 B2 -42.3(3) . . . . ?
C1 B3 B10 B4 33.2(4) . . . . ?
C1 B3 B10 B8 -68.7(5) . . . . ?
C1 B3 B10 B9 -4.6(5) . . . . ?
C1 B3 B10 B7 -99.9(4) . . . . ?
C1 B3 B7 K1 160.8(4) . . . 2_675 ?
C1 B3 B7 B10 101.7(4) . . . . ?
C1 B3 B7 B8 71.7(5) . . . . ?
C1 B3 B7 B1 -24.5(4) . . . . ?
C1 B3 B7 B5 7.3(6) . . . . ?
C1 B4 B10 K1 150.4(3) . . . . ?
C1 B4 B10 B3 -32.7(4) . . . . ?
C1 B4 B10 B8 72.3(5) . . . . ?
C1 B4 B10 B9 104.8(4) . . . . ?
C1 B4 B10 B7 8.4(5) . . . . ?
C1 B4 B9 K1 -148.6(3) . . . . ?
C1 B4 B9 B10 -99.1(4) . . . . ?
C1 B4 B9 B8 -67.2(5) . . . . ?
C1 B4 B9 B2 28.3(4) . . . . ?
C1 B4 B9 B6 -3.3(6) . . . . ?
C1 B1 B7 K1 -164.0(6) . . . 2_675 ?
C1 B1 B7 B3 23.5(3) . . . . ?
C1 B1 B7 B10 -21.7(4) . . . . ?
C1 B1 B7 B8 -82.6(4) . . . . ?
C1 B1 B7 B5 -126.9(4) . . . . ?
C22 Si2 N3 C18 -173.5(7) . . . . ?
C22 Si2 N4 C29 168.9(7) . . . . ?
C22 Si2 C2 B1 -138.8(3) . . . . ?
C22 Si2 C2 B5 -54.7(6) . . . . ?
C22 Si2 C2 B2 133.5(3) . . . . ?
C22 Si2 C2 B6 48.5(6) . . . . ?
C22 N3 C18 C19 166.5(5) . . . . ?
C22 N3 C18 C20 -76.6(7) . . . . ?
C22 N3 C18 C21 46.8(7) . . . . ?
C22 N4 C29 C32 -178.1(5) . . . . ?
C22 N4 C29 C30 63.2(7) . . . . ?
C22 N4 C29 C31 -59.3(7) . . . . ?
C22 C23 C24 C25 -174.0(5) . . . . ?
C22 C23 C28 C27 172.6(5) . . . . ?
C3 N1 C7 Si1 -171.1(6) . . . . ?
C3 N1 C7 N2 -174.8(5) . . . . ?
C3 N1 C7 C8 8.1(8) . . . . ?
C8 C13 C12 C11 -0.9(11) . . . . ?
C8 C9 C10 C11 -0.4(9) . . . . ?
C29 N4 C22 Si2 -170.4(6) . . . . ?
C29 N4 C22 N3 -172.3(4) . . . . ?
C29 N4 C22 C23 10.5(8) . . . . ?
C2 Si2 N3 C22 -109.7(3) . . . . ?
C2 Si2 N3 C18 76.8(5) . . . . ?
C2 Si2 N4 C22 111.5(3) . . . . ?
C2 Si2 N4 C29 -79.6(5) . . . . ?
C2 B1 B7 K1 -62.6(7) . . . 2_675 ?
C2 B1 B7 B3 124.9(4) . . . . ?
C2 B1 B7 B10 79.7(4) . . . . ?
C2 B1 B7 B8 18.7(5) . . . . ?
C2 B1 B7 B5 -25.6(3) . . . . ?
C2 B5 B6 B8 142.0(4) . . . . ?
C2 B5 B6 B9 101.0(4) . . . . ?
C2 B5 B6 B2 42.3(3) . . . . ?
C2 B5 B7 K1 -167.3(3) . . . 2_675 ?
C2 B5 B7 B3 -3.8(6) . . . . ?
C2 B5 B7 B10 -68.4(5) . . . . ?
C2 B5 B7 B8 -98.6(4) . . . . ?
C2 B5 B7 B1 28.4(4) . . . . ?
C7 Si1 N2 C14 -158.4(6) . . . . ?
C7 Si1 N1 C3 170.1(7) . . . . ?
C7 Si1 C1 B3 47.3(7) . . . . ?
C7 Si1 C1 B4 -56.6(5) . . . . ?
C7 Si1 C1 B1 137.4(3) . . . . ?
C7 Si1 C1 B2 -135.3(3) . . . . ?
C7 N2 C14 C15 -63.9(7) . . . . ?
C7 N2 C14 C17 178.9(5) . . . . ?
C7 N2 C14 C16 60.3(7) . . . . ?
C7 N1 C3 C5 75.0(7) . . . . ?
C7 N1 C3 C4 -47.7(7) . . . . ?
C7 N1 C3 C6 -166.6(5) . . . . ?
C7 C8 C13 C12 -178.1(6) . . . . ?
C7 C8 C9 C10 178.7(5) . . . . ?
C28 C23 C24 C25 1.7(8) . . . . ?
C28 C23 C22 N3 -95.0(6) . . . . ?
C28 C23 C22 N4 81.7(6) . . . . ?
C28 C27 C26 C25 0.6(10) . . . . ?
C14 N2 C7 Si1 160.7(6) . . . . ?
C14 N2 C7 N1 164.4(5) . . . . ?
C14 N2 C7 C8 -18.5(8) . . . . ?
C13 C8 C7 N2 -82.2(7) . . . . ?
C13 C8 C7 N1 94.2(6) . . . . ?
C13 C8 C9 C10 -0.7(8) . . . . ?
C13 C12 C11 C10 -0.2(11) . . . . ?
C9 C8 C7 N2 98.3(6) . . . . ?
C9 C8 C7 N1 -85.2(7) . . . . ?
C9 C8 C13 C12 1.3(9) . . . . ?
C9 C10 C11 C12 0.8(10) . . . . ?
C18 N3 C22 Si2 174.1(6) . . . . ?
C18 N3 C22 N4 176.0(5) . . . . ?
C18 N3 C22 C23 -6.7(8) . . . . ?
B3 C1 B4 B10 33.9(4) . . . . ?
B3 C1 B4 B9 99.3(5) . . . . ?
B3 C1 B4 B2 128.3(4) . . . . ?
B3 C1 B1 C2 -130.1(4) . . . . ?
B3 C1 B1 B5 -81.6(5) . . . . ?
B3 C1 B1 B7 -24.6(4) . . . . ?
B3 C1 B2 C2 82.4(5) . . . . ?
B3 C1 B2 B4 -50.1(4) . . . . ?
B3 C1 B2 B9 -23.5(5) . . . . ?
B3 C1 B2 B6 34.0(6) . . . . ?
B3 B4 B10 K1 -176.9(4) . . . . ?
B3 B4 B10 B8 105.1(4) . . . . ?
B3 B4 B10 B9 137.5(4) . . . . ?
B3 B4 B10 B7 41.1(4) . . . . ?
B3 B4 B9 K1 -87.6(4) . . . . ?
B3 B4 B9 B10 -38.1(4) . . . . ?
B3 B4 B9 B8 -6.2(5) . . . . ?
B3 B4 B9 B2 89.3(4) . . . . ?
B3 B4 B9 B6 57.7(6) . . . . ?
B3 B10 B8 K1 -97.3(4) . . . 2_675 ?
B3 B10 B8 K1 176.5(4) . . . . ?
B3 B10 B8 B9 97.9(4) . . . . ?
B3 B10 B8 B5 0.0(6) . . . . ?
B3 B10 B8 B6 67.1(5) . . . . ?
B3 B10 B8 B7 -31.1(4) . . . . ?
B3 B10 B9 K1 175.1(4) . . . . ?
B3 B10 B9 B4 37.9(4) . . . . ?
B3 B10 B9 B8 -106.6(4) . . . . ?
B3 B10 B9 B2 -9.3(5) . . . . ?
B3 B10 B9 B6 -77.6(5) . . . . ?
B3 B10 B7 K1 -146.7(3) . . . 2_675 ?
B3 B10 B7 B8 146.8(4) . . . . ?
B3 B10 B7 B1 49.4(4) . . . . ?
B3 B10 B7 B5 116.8(4) . . . . ?
B3 B1 B7 K1 172.5(7) . . . 2_675 ?
B3 B1 B7 B10 -45.2(3) . . . . ?
B3 B1 B7 B8 -106.2(4) . . . . ?
B3 B1 B7 B5 -150.5(4) . . . . ?
B4 C1 B3 B10 -34.0(4) . . . . ?
B4 C1 B3 B1 -124.6(4) . . . . ?
B4 C1 B3 B7 -98.7(4) . . . . ?
B4 C1 B1 C2 -76.4(4) . . . . ?
B4 C1 B1 B3 53.6(4) . . . . ?
B4 C1 B1 B5 -28.0(6) . . . . ?
B4 C1 B1 B7 29.0(5) . . . . ?
B4 C1 B2 C2 132.5(4) . . . . ?
B4 C1 B2 B9 26.6(4) . . . . ?
B4 C1 B2 B6 84.1(5) . . . . ?
B4 B3 B10 B8 -101.9(4) . . . . ?
B4 B3 B10 B9 -37.8(4) . . . . ?
B4 B3 B10 B7 -133.1(4) . . . . ?
B4 B3 B7 K1 100.2(5) . . . 2_675 ?
B4 B3 B7 B10 41.1(4) . . . . ?
B4 B3 B7 B8 11.1(5) . . . . ?
B4 B3 B7 B1 -85.2(4) . . . . ?
B4 B3 B7 B5 -53.4(6) . . . . ?
B4 B10 B8 K1 111.1(3) . . . . ?
B4 B10 B8 K1 -162.7(3) . . . 2_675 ?
B4 B10 B8 B9 32.5(4) . . . . ?
B4 B10 B8 B5 -65.4(5) . . . . ?
B4 B10 B8 B6 1.6(6) . . . . ?
B4 B10 B8 B7 -96.5(4) . . . . ?
B4 B10 B9 K1 137.1(3) . . . . ?
B4 B10 B9 B8 -144.6(4) . . . . ?
B4 B10 B9 B2 -47.2(4) . . . . ?
B4 B10 B9 B6 -115.6(4) . . . . ?
B4 B10 B7 K1 172.2(3) . . . 2_675 ?
B4 B10 B7 B3 -41.1(4) . . . . ?
B4 B10 B7 B8 105.6(4) . . . . ?
B4 B10 B7 B1 8.3(5) . . . . ?
B4 B10 B7 B5 75.7(5) . . . . ?
B4 B9 B2 C1 -25.5(3) . . . . ?
B4 B9 B2 C2 -126.9(4) . . . . ?
B4 B9 B2 B6 -150.6(4) . . . . ?
B4 B9 B6 C2 6.3(6) . . . . ?
B4 B9 B6 B8 -94.4(5) . . . . ?
B4 B9 B6 B5 -54.1(6) . . . . ?
B4 B9 B6 B2 31.2(4) . . . . ?
B10 B3 B4 C1 142.1(4) . . . . ?
B10 B3 B4 B9 38.8(4) . . . . ?
B10 B3 B4 B2 99.8(4) . . . . ?
B10 B3 B7 K1 59.0(5) . . . 2_675 ?
B10 B3 B7 B8 -30.0(4) . . . . ?
B10 B3 B7 B1 -126.3(4) . . . . ?
B10 B3 B7 B5 -94.5(5) . . . . ?
B10 B4 B9 K1 -49.6(3) . . . . ?
B10 B4 B9 B8 31.9(4) . . . . ?
B10 B4 B9 B2 127.4(4) . . . . ?
B10 B4 B9 B6 95.8(5) . . . . ?
B10 B8 B9 K1 84.4(3) . . . . ?
B10 B8 B9 B4 -31.7(4) . . . . ?
B10 B8 B9 B2 -98.3(4) . . . . ?
B10 B8 B9 B6 -147.6(4) . . . . ?
B10 B8 B5 C2 73.4(5) . . . . ?
B10 B8 B5 B1 13.6(5) . . . . ?
B10 B8 B5 B6 106.0(4) . . . . ?
B10 B8 B5 B7 -31.2(4) . . . . ?
B10 B8 B6 C2 -70.1(5) . . . . ?
B10 B8 B6 B9 30.8(4) . . . . ?
B10 B8 B6 B5 -103.2(4) . . . . ?
B10 B8 B6 B2 -14.3(5) . . . . ?
B10 B8 B7 K1 -108.8(3) . . . 2_675 ?
B10 B8 B7 B3 29.8(4) . . . . ?
B10 B8 B7 B1 98.8(4) . . . . ?
B10 B8 B7 B5 146.5(4) . . . . ?
B10 B9 B2 C1 18.8(5) . . . . ?
B10 B9 B2 C2 -82.6(4) . . . . ?
B10 B9 B2 B4 44.3(4) . . . . ?
B10 B9 B2 B6 -106.3(4) . . . . ?
B10 B9 B6 C2 71.3(5) . . . . ?
B10 B9 B6 B8 -29.4(4) . . . . ?
B10 B9 B6 B5 10.9(5) . . . . ?
B10 B9 B6 B2 96.2(4) . . . . ?
B8 B10 B9 K1 -78.3(3) . . . . ?
B8 B10 B9 B4 144.6(4) . . . . ?
B8 B10 B9 B2 97.3(4) . . . . ?
B8 B10 B9 B6 29.0(4) . . . . ?
B8 B10 B7 K1 66.5(3) . . . 2_675 ?
B8 B10 B7 B3 -146.8(4) . . . . ?
B8 B10 B7 B1 -97.4(4) . . . . ?
B8 B10 B7 B5 -29.9(4) . . . . ?
B8 B9 B2 C1 79.9(4) . . . . ?
B8 B9 B2 C2 -21.4(5) . . . . ?
B8 B9 B2 B4 105.4(4) . . . . ?
B8 B9 B2 B6 -45.2(3) . . . . ?
B8 B9 B6 C2 100.7(4) . . . . ?
B8 B9 B6 B5 40.3(4) . . . . ?
B8 B9 B6 B2 125.6(4) . . . . ?
B8 B5 B6 C2 -142.0(4) . . . . ?
B8 B5 B6 B9 -41.0(4) . . . . ?
B8 B5 B6 B2 -99.7(4) . . . . ?
B8 B5 B7 K1 -68.7(3) . . . 2_675 ?
B8 B5 B7 B3 94.8(5) . . . . ?
B8 B5 B7 B10 30.2(4) . . . . ?
B8 B5 B7 B1 127.0(4) . . . . ?
B9 B4 B10 K1 45.6(3) . . . . ?
B9 B4 B10 B3 -137.5(4) . . . . ?
B9 B4 B10 B8 -32.5(4) . . . . ?
B9 B4 B10 B7 -96.4(4) . . . . ?
B9 B10 B8 K1 78.6(2) . . . . ?
B9 B10 B8 K1 164.9(3) . . . 2_675 ?
B9 B10 B8 B5 -97.9(4) . . . . ?
B9 B10 B8 B6 -30.8(4) . . . . ?
B9 B10 B8 B7 -128.9(4) . . . . ?
B9 B10 B7 K1 110.3(3) . . . 2_675 ?
B9 B10 B7 B3 -103.0(4) . . . . ?
B9 B10 B7 B8 43.7(3) . . . . ?
B9 B10 B7 B1 -53.6(4) . . . . ?
B9 B10 B7 B5 13.8(5) . . . . ?
B9 B8 B5 C2 8.6(5) . . . . ?
B9 B8 B5 B1 -51.2(4) . . . . ?
B9 B8 B5 B6 41.2(4) . . . . ?
B9 B8 B5 B7 -96.1(4) . . . . ?
B9 B8 B6 C2 -100.9(4) . . . . ?
B9 B8 B6 B5 -133.9(4) . . . . ?
B9 B8 B6 B2 -45.0(3) . . . . ?
B9 B8 B7 K1 -153.1(3) . . . 2_675 ?
B9 B8 B7 B3 -14.5(5) . . . . ?
B9 B8 B7 B10 -44.3(3) . . . . ?
B9 B8 B7 B1 54.5(5) . . . . ?
B9 B8 B7 B5 102.2(4) . . . . ?
B1 C1 B3 B4 124.6(4) . . . . ?
B1 C1 B3 B10 90.5(4) . . . . ?
B1 C1 B3 B7 25.9(4) . . . . ?
B1 C1 B4 B3 -58.4(4) . . . . ?
B1 C1 B4 B10 -24.5(5) . . . . ?
B1 C1 B4 B9 40.9(5) . . . . ?
B1 C1 B4 B2 69.9(4) . . . . ?
B1 C1 B2 C2 14.4(4) . . . . ?
B1 C1 B2 B4 -118.1(4) . . . . ?
B1 C1 B2 B9 -91.5(4) . . . . ?
B1 C1 B2 B6 -34.0(5) . . . . ?
B1 C2 B5 B8 -94.6(4) . . . . ?
B1 C2 B5 B6 -128.2(4) . . . . ?
B1 C2 B5 B7 -29.0(4) . . . . ?
B1 C2 B2 C1 -13.8(3) . . . . ?
B1 C2 B2 B4 34.7(5) . . . . ?
B1 C2 B2 B9 92.2(4) . . . . ?
B1 C2 B2 B6 117.1(4) . . . . ?
B1 C2 B6 B8 18.8(5) . . . . ?
B1 C2 B6 B9 -45.6(5) . . . . ?
B1 C2 B6 B5 52.7(4) . . . . ?
B1 C2 B6 B2 -71.8(4) . . . . ?
B1 B3 B4 C1 41.9(3) . . . . ?
B1 B3 B4 B10 -100.1(4) . . . . ?
B1 B3 B4 B9 -61.4(4) . . . . ?
B1 B3 B4 B2 -0.4(4) . . . . ?
B1 B3 B10 B4 88.7(4) . . . . ?
B1 B3 B10 B8 -13.2(5) . . . . ?
B1 B3 B10 B9 51.0(5) . . . . ?
B1 B3 B10 B7 -44.4(3) . . . . ?
B1 B3 B7 K1 -174.7(5) . . . 2_675 ?
B1 B3 B7 B10 126.3(4) . . . . ?
B1 B3 B7 B8 96.3(4) . . . . ?
B1 B3 B7 B5 31.8(4) . . . . ?
B1 B5 B6 C2 -42.2(3) . . . . ?
B1 B5 B6 B8 99.8(4) . . . . ?
B1 B5 B6 B9 58.8(4) . . . . ?
B1 B5 B6 B2 0.1(4) . . . . ?
B1 B5 B7 K1 164.2(3) . . . 2_675 ?
B1 B5 B7 B3 -32.3(4) . . . . ?
B1 B5 B7 B10 -96.8(4) . . . . ?
B1 B5 B7 B8 -127.0(4) . . . . ?
B5 C2 B1 C1 132.2(4) . . . . ?
B5 C2 B1 B3 83.6(5) . . . . ?
B5 C2 B1 B7 26.7(4) . . . . ?
B5 C2 B2 C1 -76.9(4) . . . . ?
B5 C2 B2 B4 -28.5(7) . . . . ?
B5 C2 B2 B9 29.1(5) . . . . ?
B5 C2 B2 B6 53.9(4) . . . . ?
B5 C2 B6 B8 -33.9(4) . . . . ?
B5 C2 B6 B9 -98.2(4) . . . . ?
B5 C2 B6 B2 -124.5(4) . . . . ?
B5 B8 B9 K1 -169.3(3) . . . . ?
B5 B8 B9 B4 74.6(5) . . . . ?
B5 B8 B9 B10 106.3(4) . . . . ?
B5 B8 B9 B2 8.1(5) . . . . ?
B5 B8 B9 B6 -41.3(4) . . . . ?
B5 B8 B6 C2 33.0(4) . . . . ?
B5 B8 B6 B9 133.9(4) . . . . ?
B5 B8 B6 B2 88.9(4) . . . . ?
B5 B8 B7 K1 104.7(3) . . . 2_675 ?
B5 B8 B7 B3 -116.7(4) . . . . ?
B5 B8 B7 B10 -146.5(4) . . . . ?
B5 B8 B7 B1 -47.7(4) . . . . ?
B5 B1 B7 K1 -37.0(6) . . . 2_675 ?
B5 B1 B7 B3 150.5(4) . . . . ?
B5 B1 B7 B10 105.3(4) . . . . ?
B5 B1 B7 B8 44.3(3) . . . . ?
C37 O2 C38 C40 -6.1(7) . . . . ?
B2 C1 B3 B4 52.1(4) . . . . ?
B2 C1 B3 B10 18.1(6) . . . . ?
B2 C1 B3 B1 -72.4(4) . . . . ?
B2 C1 B3 B7 -46.5(5) . . . . ?
B2 C1 B4 B3 -128.3(4) . . . . ?
B2 C1 B4 B10 -94.4(4) . . . . ?
B2 C1 B4 B9 -28.9(4) . . . . ?
B2 C1 B1 C2 -13.8(3) . . . . ?
B2 C1 B1 B3 116.2(4) . . . . ?
B2 C1 B1 B5 34.6(5) . . . . ?
B2 C1 B1 B7 91.6(4) . . . . ?
B2 C2 B1 C1 14.4(4) . . . . ?
B2 C2 B1 B3 -34.1(5) . . . . ?
B2 C2 B1 B5 -117.7(4) . . . . ?
B2 C2 B1 B7 -91.0(4) . . . . ?
B2 C2 B5 B8 -24.5(5) . . . . ?
B2 C2 B5 B1 70.1(4) . . . . ?
B2 C2 B5 B6 -58.1(4) . . . . ?
B2 C2 B5 B7 41.1(5) . . . . ?
B2 C2 B6 B8 90.6(4) . . . . ?
B2 C2 B6 B9 26.3(4) . . . . ?
B2 C2 B6 B5 124.5(4) . . . . ?
B2 B4 B10 K1 90.3(4) . . . . ?
B2 B4 B10 B3 -92.8(4) . . . . ?
B2 B4 B10 B8 12.3(5) . . . . ?
B2 B4 B10 B9 44.8(3) . . . . ?
B2 B4 B10 B7 -51.6(4) . . . . ?
B2 B4 B9 K1 -176.9(4) . . . . ?
B2 B4 B9 B10 -127.4(4) . . . . ?
B2 B4 B9 B8 -95.5(4) . . . . ?
B2 B4 B9 B6 -31.6(4) . . . . ?
B2 B9 B6 C2 -24.9(4) . . . . ?
B2 B9 B6 B8 -125.6(4) . . . . ?
B2 B9 B6 B5 -85.3(4) . . . . ?
B6 C2 B1 C1 81.5(4) . . . . ?
B6 C2 B1 B3 32.9(6) . . . . ?
B6 C2 B1 B5 -50.7(4) . . . . ?
B6 C2 B1 B7 -24.0(5) . . . . ?
B6 C2 B5 B8 33.6(4) . . . . ?
B6 C2 B5 B1 128.2(4) . . . . ?
B6 C2 B5 B7 99.2(4) . . . . ?
B6 C2 B2 C1 -130.8(4) . . . . ?
B6 C2 B2 B4 -82.4(5) . . . . ?
B6 C2 B2 B9 -24.8(4) . . . . ?
B6 B8 B9 K1 -128.0(3) . . . . ?
B6 B8 B9 B4 116.0(4) . . . . ?
B6 B8 B9 B10 147.6(4) . . . . ?
B6 B8 B9 B2 49.4(4) . . . . ?
B6 B8 B5 C2 -32.6(4) . . . . ?
B6 B8 B5 B1 -92.4(4) . . . . ?
B6 B8 B5 B7 -137.3(4) . . . . ?
B6 B8 B7 K1 143.4(4) . . . 2_675 ?
B6 B8 B7 B3 -77.9(5) . . . . ?
B6 B8 B7 B10 -107.8(4) . . . . ?
B6 B8 B7 B1 -9.0(5) . . . . ?
B6 B8 B7 B5 38.7(4) . . . . ?
B6 B9 B2 C1 125.1(4) . . . . ?
B6 B9 B2 C2 23.7(3) . . . . ?
B6 B9 B2 B4 150.6(4) . . . . ?
B6 B5 B7 K1 -106.7(3) . . . 2_675 ?
B6 B5 B7 B3 56.8(6) . . . . ?
B6 B5 B7 B10 -7.7(5) . . . . ?
B6 B5 B7 B8 -37.9(4) . . . . ?
B6 B5 B7 B1 89.1(4) . . . . ?
B7 B3 B4 C1 100.3(4) . . . . ?
B7 B3 B4 B10 -41.8(4) . . . . ?
B7 B3 B4 B9 -3.0(5) . . . . ?
B7 B3 B4 B2 58.0(4) . . . . ?
B7 B3 B10 B4 133.1(4) . . . . ?
B7 B3 B10 B8 31.2(4) . . . . ?
B7 B3 B10 B9 95.3(4) . . . . ?
B7 B10 B8 K1 -66.2(3) . . . 2_675 ?
B7 B10 B8 K1 -152.4(3) . . . . ?
B7 B10 B8 B9 128.9(4) . . . . ?
B7 B10 B8 B5 31.0(4) . . . . ?
B7 B10 B8 B6 98.1(4) . . . . ?
B7 B10 B9 K1 -122.4(3) . . . . ?
B7 B10 B9 B4 100.5(4) . . . . ?
B7 B10 B9 B8 -44.1(3) . . . . ?
B7 B10 B9 B2 53.3(4) . . . . ?
B7 B10 B9 B6 -15.1(5) . . . . ?
B7 B8 B9 K1 128.5(3) . . . . ?
B7 B8 B9 B4 12.4(5) . . . . ?
B7 B8 B9 B10 44.1(3) . . . . ?
B7 B8 B9 B2 -54.2(4) . . . . ?
B7 B8 B9 B6 -103.5(4) . . . . ?
B7 B8 B5 C2 104.7(4) . . . . ?
B7 B8 B5 B1 44.9(3) . . . . ?
B7 B8 B5 B6 137.3(4) . . . . ?
B7 B8 B6 C2 -5.1(5) . . . . ?
B7 B8 B6 B9 95.8(4) . . . . ?
B7 B8 B6 B5 -38.1(4) . . . . ?
B7 B8 B6 B2 50.8(5) . . . . ?
B7 B5 B6 C2 -102.9(4) . . . . ?
B7 B5 B6 B8 39.1(4) . . . . ?
B7 B5 B6 B9 -1.9(5) . . . . ?
B7 B5 B6 B2 -60.6(4) . . . . ?
C38 O2 C37 C39 27.6(6) . . . . ?
C38 C40 C39 C37 33.6(7) . . . . ?
C34 C35 C36 O1 9.9(13) . . . . ?
C33 O1 C36 C35 -27.8(13) . . . . ?
C33 C34 C35 C36 12.2(12) . . . . ?
C35 C34 C33 O1 -29.8(12) . . . . ?
C36 O1 C33 C34 33.3(11) . . . . ?
O3 C44 C43 C42 -13.0(17) . . . . ?
C44 O3 C41 C42 -29.5(18) . . . . ?
C44 C43 C42A C41A -30(4) . . . . ?
C43 C44 O3A K1 -170(3) . . . . ?
C43 C44 O3A C41A 2(4) . . . . ?
C43 C42 C41 O3 20.0(19) . . . . ?
C41 O3 C44 C43 28.1(17) . . . . ?
C41 C42 C43 C44 -4.8(19) . . . . ?
O3A C44 C43 C42A 20(3) . . . . ?
O3A C41A C42A C43 28(4) . . . . ?
C42A C41A O3A K1 153(3) . . . . ?
C42A C41A O3A C44 -21(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 2428092'
loop_
_audit_author_name
_audit_author_address
'Jian Xu'
;Technical University of Berlin
Germany
;
_audit_update_record             
;
2025-03-01 deposited with the CCDC.	2025-05-19 downloaded from the CCDC.
;
_audit_creation_date             2024-09-30
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H56 B10 Bi N4 Si2, C F3 O3 S'
_chemical_formula_sum            'C33 H56 B10 Bi F3 N4 O3 S Si2'
_chemical_formula_weight         1019.13
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.0111 8.9310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.66060(10)
_cell_length_b                   10.19510(10)
_cell_length_c                   27.7238(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.6960(10)
_cell_angle_gamma                90
_cell_volume                     4417.21(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23392
_cell_measurement_temperature    110(1)
_cell_measurement_theta_max      72.5890
_cell_measurement_theta_min      3.1140
_shelx_estimated_absorpt_T_max   0.837
_shelx_estimated_absorpt_T_min   0.608
_exptl_absorpt_coefficient_mu    9.212
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.24536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.137a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            31319
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.661
_diffrn_reflns_theta_min         3.157
_diffrn_ambient_temperature      110.15
_diffrn_detector_area_resol_mean 10.5435
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  65.00   1.00   10.00    --   41.50 -57.00 120.00   94
  2  ω     71.00  96.00   1.00   10.00    --   41.50-125.00 -90.00   25
  3  ω    -33.00  66.00   1.00   10.00    --   41.50 -38.00 -30.00   99
  4  ω     18.00 110.00   1.00   10.00    --   41.50  57.00 -90.00   92
  5  ω     35.00  76.00   1.00   10.00    --   41.50 -99.00  30.00   41
  6  ω     44.00 136.00   1.00   12.50    --  103.94 -77.00  30.00   92
  7  ω     67.00 107.00   1.00   12.50    --  103.94-111.00-180.00   40
  8  ω     22.00  80.00   1.00   12.50    --  103.94 -94.00-150.00   58
  9  ω     30.00  81.00   1.00   12.50    --  103.94-111.00  30.00   51
 10  ω     79.00 134.00   1.00   12.50    --  103.94  61.00 -30.00   55
 11  ω     78.00 135.00   1.00   12.50    --  103.94  45.00 -90.00   57
 12  ω     85.00 151.00   1.00   12.50    --  103.94 111.00   0.00   66
 13  ω     85.00 150.00   1.00   12.50    --  103.94  77.00  90.00   65
 14  ω     85.00 158.00   1.00   12.50    --  103.94  45.00-180.00   73
 15  ω     60.00 108.00   1.00   12.50    --  103.94-111.00 -90.00   48
 16  ω     29.00 107.00   1.00   12.50    --  103.94 -94.00 -60.00   78
 17  ω     30.00  56.00   1.00   12.50    --  103.94-111.00  60.00   26
 18  ω     79.00 108.00   1.00   12.50    --  103.94-111.00  60.00   29
 19  ω     87.00 121.00   1.00   12.50    --  103.94  77.00 120.00   34
 20  ω     90.00 152.00   1.00   12.50    --  103.94 111.00-150.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8289
_reflns_number_total             8661
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.129
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         8661
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0228
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0390P)²+1.8558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0600
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C28(H28), C24(H24), C25(H25), C10(H10), C27(H27), C26(H26), C13(H13),
 C11(H11), C12(H12)
1.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C30(H30A,H30B,H30C), C17(H17A,H17B,H17C), C15(H15A,H15B,
 H15C), C32(H32A,H32B,H32C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C20(H20A,
 H20B,H20C), C5(H5A,H5B,H5C), C16(H16A,H16B,H16C), C6(H6A,H6B,H6C), C31(H31A,
 H31B,H31C)
1.c Boron cage BH refined with riding coordinates:
 B8(H8), B2(H2), B9(H9A), B3(H3), B5(H5), B7(H7), B10(H10A), B1(H1), B4(H4),
 B6(H6)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.61798(2) 0.56179(2) 0.38224(2) 0.01406(4) Uani 1 1 d . . . . .
Si2 Si 0.67021(3) 0.80102(6) 0.37809(2) 0.01206(11) Uani 1 1 d . . . . .
S1 S 0.83864(4) 0.41268(6) 0.39902(2) 0.02112(12) Uani 1 1 d . . . . .
Si1 Si 0.47338(3) 0.68298(6) 0.36612(2) 0.01188(11) Uani 1 1 d . . . . .
F2 F 0.89144(12) 0.46243(19) 0.48870(6) 0.0387(4) Uani 1 1 d . . . . .
O2 O 0.81416(13) 0.54968(19) 0.39629(8) 0.0298(4) Uani 1 1 d . . . . .
F3 F 0.98636(11) 0.4882(3) 0.43761(8) 0.0567(6) Uani 1 1 d . . . . .
O3 O 0.88350(12) 0.3649(2) 0.35877(7) 0.0305(4) Uani 1 1 d . . . . .
N4 N 0.75853(11) 0.84629(19) 0.34203(7) 0.0139(4) Uani 1 1 d . . . . .
F1 F 0.95039(14) 0.2941(2) 0.45914(7) 0.0542(6) Uani 1 1 d . . . . .
N2 N 0.39017(11) 0.63469(18) 0.32002(7) 0.0134(4) Uani 1 1 d . . . . .
N1 N 0.37661(11) 0.64484(19) 0.39694(7) 0.0137(4) Uani 1 1 d . . . . .
O1 O 0.77408(12) 0.3265(2) 0.41557(8) 0.0360(5) Uani 1 1 d . . . . .
N3 N 0.75473(11) 0.86618(19) 0.41949(7) 0.0137(4) Uani 1 1 d . . . . .
C9 C 0.22896(17) 0.4265(3) 0.35222(10) 0.0229(5) Uani 1 1 d . . . . .
H9 H 0.2734 0.3653 0.3600 0.028 Uiso 1 1 calc R U . . .
C7 C 0.33621(13) 0.6093(2) 0.35473(8) 0.0137(4) Uani 1 1 d . . . . .
C1 C 0.48094(13) 0.8711(2) 0.36341(8) 0.0142(4) Uani 1 1 d . . . . .
C23 C 0.89708(14) 0.9173(2) 0.38650(8) 0.0163(5) Uani 1 1 d . . . . .
C4 C 0.41319(16) 0.6969(3) 0.48152(8) 0.0231(5) Uani 1 1 d . . . . .
H4A H 0.4721 0.6728 0.4755 0.035 Uiso 1 1 calc R U . . .
H4B H 0.4021 0.6758 0.5150 0.035 Uiso 1 1 calc R U . . .
H4C H 0.4051 0.7912 0.4760 0.035 Uiso 1 1 calc R U . . .
C14 C 0.38665(14) 0.5850(2) 0.26930(8) 0.0155(4) Uani 1 1 d . . . . .
C28 C 0.91618(16) 1.0494(2) 0.38037(9) 0.0206(5) Uani 1 1 d . . . . .
H28 H 0.8716 1.1113 0.3736 0.025 Uiso 1 1 calc R U . . .
C30 C 0.83743(17) 0.6885(3) 0.29401(10) 0.0306(6) Uani 1 1 d . . . . .
H30A H 0.8884 0.6957 0.3163 0.046 Uiso 1 1 calc R U . . .
H30B H 0.8547 0.6678 0.2615 0.046 Uiso 1 1 calc R U . . .
H30C H 0.8004 0.6185 0.3050 0.046 Uiso 1 1 calc R U . . .
C17 C 0.45995(15) 0.6513(3) 0.24484(8) 0.0202(5) Uani 1 1 d . . . . .
H17A H 0.5138 0.6358 0.2640 0.030 Uiso 1 1 calc R U . . .
H17B H 0.4491 0.7458 0.2425 0.030 Uiso 1 1 calc R U . . .
H17C H 0.4639 0.6147 0.2124 0.030 Uiso 1 1 calc R U . . .
C8 C 0.24774(15) 0.5587(2) 0.34742(9) 0.0165(5) Uani 1 1 d . . . . .
C22 C 0.80583(13) 0.8766(2) 0.38267(8) 0.0136(4) Uani 1 1 d . . . . .
C15 C 0.4010(2) 0.4365(2) 0.26959(10) 0.0267(6) Uani 1 1 d . . . . .
H15A H 0.4029 0.4050 0.2363 0.040 Uiso 1 1 calc R U . . .
H15B H 0.3540 0.3933 0.2851 0.040 Uiso 1 1 calc R U . . .
H15C H 0.4553 0.4163 0.2876 0.040 Uiso 1 1 calc R U . . .
C18 C 0.77643(14) 0.8815(2) 0.47243(8) 0.0168(5) Uani 1 1 d . . . . .
C24 C 0.96162(14) 0.8259(3) 0.39662(9) 0.0217(5) Uani 1 1 d . . . . .
H24 H 0.9482 0.7359 0.4007 0.026 Uiso 1 1 calc R U . . .
C29 C 0.78881(14) 0.8182(2) 0.29282(8) 0.0180(5) Uani 1 1 d . . . . .
C25 C 1.04625(15) 0.8684(3) 0.40064(10) 0.0290(6) Uani 1 1 d . . . . .
H25 H 1.0910 0.8072 0.4080 0.035 Uiso 1 1 calc R U . . .
C10 C 0.14472(18) 0.3844(3) 0.34553(11) 0.0337(7) Uani 1 1 d . . . . .
H10 H 0.1317 0.2940 0.3489 0.040 Uiso 1 1 calc R U . . .
C32 C 0.70924(15) 0.8065(3) 0.25847(9) 0.0243(5) Uani 1 1 d . . . . .
H32A H 0.7258 0.7790 0.2265 0.036 Uiso 1 1 calc R U . . .
H32B H 0.6803 0.8917 0.2558 0.036 Uiso 1 1 calc R U . . .
H32C H 0.6704 0.7413 0.2710 0.036 Uiso 1 1 calc R U . . .
C2 C 0.58162(14) 0.9316(2) 0.36993(8) 0.0141(5) Uani 1 1 d . . . . .
C19 C 0.83294(16) 0.7672(3) 0.49099(9) 0.0248(5) Uani 1 1 d . . . . .
H19A H 0.8877 0.7702 0.4757 0.037 Uiso 1 1 calc R U . . .
H19B H 0.8040 0.6840 0.4830 0.037 Uiso 1 1 calc R U . . .
H19C H 0.8433 0.7742 0.5261 0.037 Uiso 1 1 calc R U . . .
C3 C 0.35127(14) 0.6205(2) 0.44724(8) 0.0185(5) Uani 1 1 d . . . . .
C21 C 0.81917(16) 1.0136(3) 0.48329(9) 0.0246(5) Uani 1 1 d . . . . .
H21A H 0.8190 1.0320 0.5180 0.037 Uiso 1 1 calc R U . . .
H21B H 0.7877 1.0827 0.4651 0.037 Uiso 1 1 calc R U . . .
H21C H 0.8783 1.0111 0.4737 0.037 Uiso 1 1 calc R U . . .
C27 C 1.00078(17) 1.0898(3) 0.38421(10) 0.0266(6) Uani 1 1 d . . . . .
H27 H 1.0144 1.1798 0.3801 0.032 Uiso 1 1 calc R U . . .
C26 C 1.06549(16) 0.9996(3) 0.39395(10) 0.0307(6) Uani 1 1 d . . . . .
H26 H 1.1235 1.0276 0.3961 0.037 Uiso 1 1 calc R U . . .
B8 B 0.58207(17) 1.0795(3) 0.39960(10) 0.0169(5) Uani 1 1 d . . . . .
H8 H 0.6364 1.1160 0.4242 0.020 Uiso 1 1 calc R U . . .
C13 C 0.18220(15) 0.6481(3) 0.33546(9) 0.0232(5) Uani 1 1 d . . . . .
H13 H 0.1948 0.7386 0.3319 0.028 Uiso 1 1 calc R U . . .
C20 C 0.69216(14) 0.8757(3) 0.49732(8) 0.0198(5) Uani 1 1 d . . . . .
H20A H 0.6605 0.7966 0.4869 0.030 Uiso 1 1 calc R U . . .
H20B H 0.6578 0.9534 0.4885 0.030 Uiso 1 1 calc R U . . .
H20C H 0.7042 0.8734 0.5324 0.030 Uiso 1 1 calc R U . . .
B2 B 0.41839(17) 0.9680(3) 0.32470(10) 0.0181(5) Uani 1 1 d . . . . .
H2 H 0.3645 0.9304 0.3000 0.022 Uiso 1 1 calc R U . . .
C33 C 0.92092(16) 0.4133(3) 0.44889(10) 0.0272(6) Uani 1 1 d . . . . .
B9 B 0.51501(16) 0.9479(3) 0.41623(10) 0.0156(5) Uani 1 1 d . . . . .
H9A H 0.5255 0.8957 0.4517 0.019 Uiso 1 1 calc R U . . .
C11 C 0.07965(17) 0.4725(4) 0.33407(11) 0.0388(8) Uani 1 1 d . . . . .
H11 H 0.0221 0.4429 0.3298 0.047 Uiso 1 1 calc R U . . .
C5 C 0.3607(2) 0.4744(3) 0.45854(10) 0.0343(7) Uani 1 1 d . . . . .
H5A H 0.4186 0.4456 0.4521 0.051 Uiso 1 1 calc R U . . .
H5B H 0.3188 0.4247 0.4381 0.051 Uiso 1 1 calc R U . . .
H5C H 0.3509 0.4591 0.4926 0.051 Uiso 1 1 calc R U . . .
B3 B 0.52763(17) 0.9363(2) 0.31382(10) 0.0173(5) Uani 1 1 d . . . . .
H3 H 0.5462 0.8767 0.2822 0.021 Uiso 1 1 calc R U . . .
C12 C 0.09861(16) 0.6037(4) 0.32886(10) 0.0330(7) Uani 1 1 d . . . . .
H12 H 0.0539 0.6643 0.3207 0.040 Uiso 1 1 calc R U . . .
C16 C 0.30221(15) 0.6203(3) 0.24158(9) 0.0256(5) Uani 1 1 d . . . . .
H16A H 0.2913 0.7144 0.2449 0.038 Uiso 1 1 calc R U . . .
H16B H 0.2555 0.5705 0.2547 0.038 Uiso 1 1 calc R U . . .
H16C H 0.3057 0.5986 0.2073 0.038 Uiso 1 1 calc R U . . .
B5 B 0.48610(17) 1.0977(3) 0.30755(10) 0.0207(5) Uani 1 1 d . . . . .
H5 H 0.4768 1.1464 0.2714 0.025 Uiso 1 1 calc R U . . .
B7 B 0.59037(18) 1.0716(2) 0.33642(10) 0.0174(5) Uani 1 1 d . . . . .
H7 H 0.6502 1.1025 0.3195 0.021 Uiso 1 1 calc R U . . .
C6 C 0.26022(16) 0.6683(3) 0.45400(10) 0.0319(6) Uani 1 1 d . . . . .
H6A H 0.2495 0.6667 0.4884 0.048 Uiso 1 1 calc R U . . .
H6B H 0.2192 0.6108 0.4362 0.048 Uiso 1 1 calc R U . . .
H6C H 0.2536 0.7582 0.4417 0.048 Uiso 1 1 calc R U . . .
B10 B 0.47336(16) 1.1097(3) 0.41151(10) 0.0197(5) Uani 1 1 d . . . . .
H10A H 0.4556 1.1661 0.4441 0.024 Uiso 1 1 calc R U . . .
B1 B 0.41064(16) 0.9753(3) 0.38828(10) 0.0175(5) Uani 1 1 d . . . . .
H1 H 0.3514 0.9427 0.4054 0.021 Uiso 1 1 calc R U . . .
B4 B 0.41415(17) 1.1227(3) 0.35410(11) 0.0215(6) Uani 1 1 d . . . . .
H4 H 0.3573 1.1889 0.3487 0.026 Uiso 1 1 calc R U . . .
C31 C 0.8443(2) 0.9294(3) 0.27536(11) 0.0352(7) Uani 1 1 d . . . . .
H31A H 0.8996 0.9293 0.2941 0.053 Uiso 1 1 calc R U . . .
H31B H 0.8155 1.0134 0.2797 0.053 Uiso 1 1 calc R U . . .
H31C H 0.8536 0.9168 0.2410 0.053 Uiso 1 1 calc R U . . .
B6 B 0.51943(17) 1.1864(3) 0.36122(10) 0.0199(5) Uani 1 1 d . . . . .
H6 H 0.5317 1.2946 0.3604 0.024 Uiso 1 1 calc R U . . .


_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 Si2 2.5774(6) . ?
Bi1 Si1 2.5931(6) . ?
Si2 N4 1.8179(19) . ?
Si2 N3 1.8206(18) . ?
Si2 C22 2.255(2) . ?
Si2 C2 1.925(2) . ?
S1 O2 1.449(2) . ?
S1 O3 1.441(2) . ?
S1 O1 1.437(2) . ?
S1 C33 1.828(3) . ?
Si1 N2 1.8329(18) . ?
Si1 N1 1.8289(18) . ?
Si1 C7 2.278(2) . ?
Si1 C1 1.923(2) . ?
F2 C33 1.322(3) . ?
F3 C33 1.331(3) . ?
N4 C22 1.344(3) . ?
N4 C29 1.501(3) . ?
F1 C33 1.325(3) . ?
N2 C7 1.346(3) . ?
N2 C14 1.492(3) . ?
N1 C7 1.344(3) . ?
N1 C3 1.495(3) . ?
N3 C22 1.341(3) . ?
N3 C18 1.493(3) . ?
C9 H9 0.9500 . ?
C9 C8 1.388(3) . ?
C9 C10 1.388(4) . ?
C7 C8 1.480(3) . ?
C1 C2 1.692(3) . ?
C1 B2 1.718(3) . ?
C1 B9 1.715(3) . ?
C1 B3 1.731(3) . ?
C1 B1 1.707(3) . ?
C23 C28 1.393(3) . ?
C23 C22 1.485(3) . ?
C23 C24 1.390(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C3 1.527(3) . ?
C14 C17 1.528(3) . ?
C14 C15 1.530(3) . ?
C14 C16 1.529(3) . ?
C28 H28 0.9500 . ?
C28 C27 1.385(4) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 C29 1.526(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C8 C13 1.397(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C18 C19 1.532(3) . ?
C18 C21 1.526(3) . ?
C18 C20 1.529(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.392(3) . ?
C29 C32 1.523(3) . ?
C29 C31 1.526(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.386(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C2 B8 1.717(3) . ?
C2 B9 1.714(3) . ?
C2 B3 1.723(4) . ?
C2 B7 1.713(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C3 C5 1.527(4) . ?
C3 C6 1.530(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C26 1.382(4) . ?
C26 H26 0.9500 . ?
B8 H8 1.1200 . ?
B8 B9 1.782(4) . ?
B8 B7 1.766(4) . ?
B8 B10 1.782(4) . ?
B8 B6 1.774(4) . ?
C13 H13 0.9500 . ?
C13 C12 1.386(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
B2 H2 1.1200 . ?
B2 B3 1.786(4) . ?
B2 B5 1.779(4) . ?
B2 B1 1.776(4) . ?
B2 B4 1.779(4) . ?
B9 H9A 1.1200 . ?
B9 B10 1.776(4) . ?
B9 B1 1.785(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.380(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
B3 H3 1.1200 . ?
B3 B5 1.774(4) . ?
B3 B7 1.783(4) . ?
C12 H12 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
B5 H5 1.1200 . ?
B5 B7 1.791(4) . ?
B5 B4 1.785(4) . ?
B5 B6 1.790(4) . ?
B7 H7 1.1200 . ?
B7 B6 1.782(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
B10 H10A 1.1200 . ?
B10 B1 1.782(4) . ?
B10 B4 1.794(4) . ?
B10 B6 1.790(4) . ?
B1 H1 1.1200 . ?
B1 B4 1.779(4) . ?
B4 H4 1.1200 . ?
B4 B6 1.771(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
B6 H6 1.1200 . ?

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
Si2 Bi1 Si1 79.486(18) . . ?
N4 Si2 Bi1 121.31(7) . . ?
N4 Si2 N3 72.90(8) . . ?
N4 Si2 C22 36.58(8) . . ?
N4 Si2 C2 109.14(9) . . ?
N3 Si2 Bi1 122.49(7) . . ?
N3 Si2 C22 36.49(8) . . ?
N3 Si2 C2 108.12(9) . . ?
C22 Si2 Bi1 128.40(6) . . ?
C2 Si2 Bi1 115.53(7) . . ?
C2 Si2 C22 116.07(9) . . ?
O2 S1 C33 101.94(13) . . ?
O3 S1 O2 115.21(13) . . ?
O3 S1 C33 103.41(12) . . ?
O1 S1 O2 114.63(13) . . ?
O1 S1 O3 115.40(13) . . ?
O1 S1 C33 103.70(13) . . ?
N2 Si1 Bi1 124.47(6) . . ?
N2 Si1 C7 36.22(8) . . ?
N2 Si1 C1 106.46(9) . . ?
N1 Si1 Bi1 123.98(6) . . ?
N1 Si1 N2 72.27(8) . . ?
N1 Si1 C7 36.14(8) . . ?
N1 Si1 C1 106.57(9) . . ?
C7 Si1 Bi1 132.21(6) . . ?
C1 Si1 Bi1 115.25(7) . . ?
C1 Si1 C7 112.53(9) . . ?
C22 N4 Si2 89.71(14) . . ?
C22 N4 C29 128.09(18) . . ?
C29 N4 Si2 138.41(15) . . ?
C7 N2 Si1 90.22(13) . . ?
C7 N2 C14 128.43(18) . . ?
C14 N2 Si1 136.86(14) . . ?
C7 N1 Si1 90.48(14) . . ?
C7 N1 C3 128.99(18) . . ?
C3 N1 Si1 138.49(14) . . ?
C22 N3 Si2 89.67(13) . . ?
C22 N3 C18 129.09(18) . . ?
C18 N3 Si2 140.17(15) . . ?
C8 C9 H9 120.2 . . ?
C8 C9 C10 119.5(3) . . ?
C10 C9 H9 120.2 . . ?
N2 C7 Si1 53.56(11) . . ?
N2 C7 C8 126.5(2) . . ?
N1 C7 Si1 53.39(10) . . ?
N1 C7 N2 106.78(18) . . ?
N1 C7 C8 126.7(2) . . ?
C8 C7 Si1 178.86(17) . . ?
C2 C1 Si1 114.73(14) . . ?
C2 C1 B2 110.32(17) . . ?
C2 C1 B9 60.39(14) . . ?
C2 C1 B3 60.42(14) . . ?
C2 C1 B1 110.56(17) . . ?
B2 C1 Si1 124.30(15) . . ?
B2 C1 B3 62.36(15) . . ?
B9 C1 Si1 116.00(15) . . ?
B9 C1 B2 113.86(18) . . ?
B9 C1 B3 112.26(17) . . ?
B3 C1 Si1 116.36(15) . . ?
B1 C1 Si1 124.19(15) . . ?
B1 C1 B2 62.48(15) . . ?
B1 C1 B9 62.90(14) . . ?
B1 C1 B3 113.47(18) . . ?
C28 C23 C22 118.3(2) . . ?
C24 C23 C28 120.9(2) . . ?
C24 C23 C22 120.7(2) . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
N2 C14 C17 106.54(18) . . ?
N2 C14 C15 109.54(19) . . ?
N2 C14 C16 111.82(19) . . ?
C17 C14 C15 109.0(2) . . ?
C17 C14 C16 108.8(2) . . ?
C16 C14 C15 111.0(2) . . ?
C23 C28 H28 120.3 . . ?
C27 C28 C23 119.3(2) . . ?
C27 C28 H28 120.3 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C9 C8 C7 121.8(2) . . ?
C9 C8 C13 120.0(2) . . ?
C13 C8 C7 118.2(2) . . ?
N4 C22 Si2 53.72(11) . . ?
N4 C22 C23 126.9(2) . . ?
N3 C22 Si2 53.83(11) . . ?
N3 C22 N4 107.24(18) . . ?
N3 C22 C23 125.9(2) . . ?
C23 C22 Si2 176.17(17) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C18 C19 109.92(19) . . ?
N3 C18 C21 110.81(19) . . ?
N3 C18 C20 106.93(17) . . ?
C21 C18 C19 111.6(2) . . ?
C21 C18 C20 109.0(2) . . ?
C20 C18 C19 108.4(2) . . ?
C23 C24 H24 120.5 . . ?
C23 C24 C25 119.0(2) . . ?
C25 C24 H24 120.5 . . ?
N4 C29 C30 109.41(19) . . ?
N4 C29 C32 106.84(17) . . ?
N4 C29 C31 111.5(2) . . ?
C30 C29 C31 110.9(2) . . ?
C32 C29 C30 109.4(2) . . ?
C32 C29 C31 108.6(2) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H25 119.9 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.6 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C1 C2 Si2 114.86(14) . . ?
C1 C2 B8 110.24(17) . . ?
C1 C2 B9 60.48(14) . . ?
C1 C2 B3 60.92(14) . . ?
C1 C2 B7 110.62(18) . . ?
B8 C2 Si2 124.75(16) . . ?
B8 C2 B3 113.23(18) . . ?
B9 C2 Si2 116.61(15) . . ?
B9 C2 B8 62.60(14) . . ?
B9 C2 B3 112.75(18) . . ?
B3 C2 Si2 115.69(15) . . ?
B7 C2 Si2 123.87(16) . . ?
B7 C2 B8 61.98(15) . . ?
B7 C2 B9 113.52(18) . . ?
B7 C2 B3 62.53(15) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C3 C4 107.43(18) . . ?
N1 C3 C5 109.0(2) . . ?
N1 C3 C6 111.50(19) . . ?
C4 C3 C5 108.7(2) . . ?
C4 C3 C6 108.7(2) . . ?
C5 C3 C6 111.4(2) . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C28 C27 H27 119.9 . . ?
C26 C27 C28 120.2(3) . . ?
C26 C27 H27 119.9 . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.4(2) . . ?
C27 C26 H26 119.8 . . ?
C2 B8 H8 124.3 . . ?
C2 B8 B9 58.60(14) . . ?
C2 B8 B7 58.90(14) . . ?
C2 B8 B10 105.45(18) . . ?
C2 B8 B6 105.50(18) . . ?
B9 B8 H8 122.0 . . ?
B7 B8 H8 121.2 . . ?
B7 B8 B9 107.73(18) . . ?
B7 B8 B10 108.90(19) . . ?
B7 B8 B6 60.44(15) . . ?
B10 B8 H8 121.8 . . ?
B10 B8 B9 59.76(15) . . ?
B6 B8 H8 122.0 . . ?
B6 B8 B9 107.78(18) . . ?
B6 B8 B10 60.46(16) . . ?
C8 C13 H13 120.3 . . ?
C12 C13 C8 119.4(3) . . ?
C12 C13 H13 120.3 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C1 B2 H2 124.2 . . ?
C1 B2 B3 59.19(14) . . ?
C1 B2 B5 105.59(18) . . ?
C1 B2 B1 58.46(14) . . ?
C1 B2 B4 105.07(19) . . ?
B3 B2 H2 121.8 . . ?
B5 B2 H2 122.0 . . ?
B5 B2 B3 59.68(15) . . ?
B1 B2 H2 121.6 . . ?
B1 B2 B3 107.63(18) . . ?
B1 B2 B5 108.3(2) . . ?
B1 B2 B4 60.06(17) . . ?
B4 B2 H2 122.3 . . ?
B4 B2 B3 107.59(19) . . ?
B4 B2 B5 60.24(16) . . ?
F2 C33 S1 111.46(18) . . ?
F2 C33 F3 107.1(2) . . ?
F2 C33 F1 107.7(2) . . ?
F3 C33 S1 109.9(2) . . ?
F1 C33 S1 112.2(2) . . ?
F1 C33 F3 108.3(2) . . ?
C1 B9 B8 106.18(18) . . ?
C1 B9 H9A 123.5 . . ?
C1 B9 B10 105.58(19) . . ?
C1 B9 B1 58.33(14) . . ?
C2 B9 C1 59.13(13) . . ?
C2 B9 B8 58.81(14) . . ?
C2 B9 H9A 123.3 . . ?
C2 B9 B10 105.88(18) . . ?
C2 B9 B1 105.93(19) . . ?
B8 B9 H9A 121.9 . . ?
B8 B9 B1 107.95(19) . . ?
B10 B9 B8 60.10(15) . . ?
B10 B9 H9A 122.6 . . ?
B10 B9 B1 60.07(15) . . ?
B1 B9 H9A 122.2 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.6(2) . . ?
C12 C11 H11 120.2 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 B3 B2 58.46(14) . . ?
C1 B3 H3 123.9 . . ?
C1 B3 B5 105.25(19) . . ?
C1 B3 B7 105.61(19) . . ?
C2 B3 C1 58.66(13) . . ?
C2 B3 B2 105.80(19) . . ?
C2 B3 H3 123.6 . . ?
C2 B3 B5 105.66(18) . . ?
C2 B3 B7 58.48(14) . . ?
B2 B3 H3 122.1 . . ?
B5 B3 B2 59.98(15) . . ?
B5 B3 H3 122.6 . . ?
B5 B3 B7 60.48(15) . . ?
B7 B3 B2 108.24(19) . . ?
B7 B3 H3 121.9 . . ?
C13 C12 H12 119.6 . . ?
C11 C12 C13 120.7(3) . . ?
C11 C12 H12 119.6 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
B2 B5 H5 121.6 . . ?
B2 B5 B7 108.17(19) . . ?
B2 B5 B4 59.87(16) . . ?
B2 B5 B6 107.5(2) . . ?
B3 B5 B2 60.34(15) . . ?
B3 B5 H5 121.6 . . ?
B3 B5 B7 60.02(15) . . ?
B3 B5 B4 107.8(2) . . ?
B3 B5 B6 107.56(19) . . ?
B7 B5 H5 121.9 . . ?
B4 B5 H5 122.2 . . ?
B4 B5 B7 107.3(2) . . ?
B4 B5 B6 59.39(16) . . ?
B6 B5 H5 122.3 . . ?
B6 B5 B7 59.68(15) . . ?
C2 B7 B8 59.12(15) . . ?
C2 B7 B3 58.99(14) . . ?
C2 B7 B5 105.29(19) . . ?
C2 B7 H7 124.1 . . ?
C2 B7 B6 105.33(19) . . ?
B8 B7 B3 108.03(19) . . ?
B8 B7 B5 108.2(2) . . ?
B8 B7 H7 121.3 . . ?
B8 B7 B6 60.00(15) . . ?
B3 B7 B5 59.49(15) . . ?
B3 B7 H7 121.9 . . ?
B5 B7 H7 122.3 . . ?
B6 B7 B3 107.49(19) . . ?
B6 B7 B5 60.11(16) . . ?
B6 B7 H7 122.4 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
B8 B10 H10A 121.9 . . ?
B8 B10 B1 108.10(19) . . ?
B8 B10 B4 107.07(19) . . ?
B8 B10 B6 59.56(15) . . ?
B9 B10 B8 60.13(15) . . ?
B9 B10 H10A 121.7 . . ?
B9 B10 B1 60.23(15) . . ?
B9 B10 B4 107.47(19) . . ?
B9 B10 B6 107.36(18) . . ?
B1 B10 H10A 121.8 . . ?
B1 B10 B4 59.66(16) . . ?
B1 B10 B6 107.13(19) . . ?
B4 B10 H10A 122.4 . . ?
B6 B10 H10A 122.5 . . ?
B6 B10 B4 59.22(15) . . ?
C1 B1 B2 59.06(14) . . ?
C1 B1 B9 58.78(13) . . ?
C1 B1 B10 105.64(17) . . ?
C1 B1 H1 124.1 . . ?
C1 B1 B4 105.53(19) . . ?
B2 B1 B9 107.76(18) . . ?
B2 B1 B10 108.6(2) . . ?
B2 B1 H1 121.4 . . ?
B2 B1 B4 60.04(16) . . ?
B9 B1 H1 122.0 . . ?
B10 B1 B9 59.70(14) . . ?
B10 B1 H1 121.8 . . ?
B4 B1 B9 107.72(18) . . ?
B4 B1 B10 60.51(16) . . ?
B4 B1 H1 122.1 . . ?
B2 B4 B5 59.89(16) . . ?
B2 B4 B10 107.98(19) . . ?
B2 B4 B1 59.89(16) . . ?
B2 B4 H4 121.8 . . ?
B5 B4 B10 108.45(18) . . ?
B5 B4 H4 121.5 . . ?
B10 B4 H4 121.6 . . ?
B1 B4 B5 107.88(19) . . ?
B1 B4 B10 59.83(16) . . ?
B1 B4 H4 121.9 . . ?
B6 B4 B2 108.31(19) . . ?
B6 B4 B5 60.42(16) . . ?
B6 B4 B10 60.27(15) . . ?
B6 B4 B1 108.11(19) . . ?
B6 B4 H4 121.4 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
B8 B6 B5 107.97(19) . . ?
B8 B6 B7 59.57(15) . . ?
B8 B6 B10 59.98(15) . . ?
B8 B6 H6 121.8 . . ?
B5 B6 B10 108.44(19) . . ?
B5 B6 H6 121.5 . . ?
B7 B6 B5 60.21(15) . . ?
B7 B6 B10 107.83(19) . . ?
B7 B6 H6 121.8 . . ?
B10 B6 H6 121.5 . . ?
B4 B6 B8 108.43(19) . . ?
B4 B6 B5 60.18(16) . . ?
B4 B6 B7 108.37(19) . . ?
B4 B6 B10 60.51(15) . . ?
B4 B6 H6 121.2 . . ?

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 Si2 N4 C22 -113.59(12) . . . . ?
Bi1 Si2 N4 C29 43.9(2) . . . . ?
Bi1 Si2 N3 C22 112.17(12) . . . . ?
Bi1 Si2 N3 C18 -55.7(3) . . . . ?
Bi1 Si1 N2 C7 116.23(12) . . . . ?
Bi1 Si1 N2 C14 -39.7(2) . . . . ?
Bi1 Si1 N1 C7 -116.80(12) . . . . ?
Bi1 Si1 N1 C3 46.7(3) . . . . ?
Si2 N4 C22 N3 -6.10(18) . . . . ?
Si2 N4 C22 C23 175.3(2) . . . . ?
Si2 N4 C29 C30 -82.3(3) . . . . ?
Si2 N4 C29 C32 36.1(3) . . . . ?
Si2 N4 C29 C31 154.7(2) . . . . ?
Si2 N3 C22 N4 6.09(18) . . . . ?
Si2 N3 C22 C23 -175.3(2) . . . . ?
Si2 N3 C18 C19 95.1(3) . . . . ?
Si2 N3 C18 C21 -141.0(2) . . . . ?
Si2 N3 C18 C20 -22.4(3) . . . . ?
Si2 C2 B8 B9 -104.7(2) . . . . ?
Si2 C2 B8 B7 113.5(2) . . . . ?
Si2 C2 B8 B10 -143.41(17) . . . . ?
Si2 C2 B8 B6 153.60(16) . . . . ?
Si2 C2 B9 C1 -104.87(17) . . . . ?
Si2 C2 B9 B8 117.28(18) . . . . ?
Si2 C2 B9 B10 156.20(15) . . . . ?
Si2 C2 B9 B1 -141.08(16) . . . . ?
Si2 C2 B3 C1 105.44(16) . . . . ?
Si2 C2 B3 B2 141.44(16) . . . . ?
Si2 C2 B3 B5 -155.99(15) . . . . ?
Si2 C2 B3 B7 -116.55(18) . . . . ?
Si2 C2 B7 B8 -114.9(2) . . . . ?
Si2 C2 B7 B3 103.9(2) . . . . ?
Si2 C2 B7 B5 142.75(17) . . . . ?
Si2 C2 B7 B6 -154.68(16) . . . . ?
Si1 N2 C7 N1 4.41(18) . . . . ?
Si1 N2 C7 C8 -178.6(2) . . . . ?
Si1 N2 C14 C17 -34.9(3) . . . . ?
Si1 N2 C14 C15 82.9(3) . . . . ?
Si1 N2 C14 C16 -153.67(19) . . . . ?
Si1 N1 C7 N2 -4.42(18) . . . . ?
Si1 N1 C7 C8 178.6(2) . . . . ?
Si1 N1 C3 C4 28.8(3) . . . . ?
Si1 N1 C3 C5 -88.8(3) . . . . ?
Si1 N1 C3 C6 147.8(2) . . . . ?
Si1 C1 C2 Si2 0.7(2) . . . . ?
Si1 C1 C2 B8 -146.48(15) . . . . ?
Si1 C1 C2 B9 -107.06(17) . . . . ?
Si1 C1 C2 B3 107.50(17) . . . . ?
Si1 C1 C2 B7 146.86(16) . . . . ?
Si1 C1 B2 B3 -104.45(19) . . . . ?
Si1 C1 B2 B5 -143.50(17) . . . . ?
Si1 C1 B2 B1 114.30(19) . . . . ?
Si1 C1 B2 B4 153.79(16) . . . . ?
Si1 C1 B9 C2 104.97(16) . . . . ?
Si1 C1 B9 B8 141.67(15) . . . . ?
Si1 C1 B9 B10 -155.59(14) . . . . ?
Si1 C1 B9 B1 -116.91(18) . . . . ?
Si1 C1 B3 C2 -104.81(16) . . . . ?
Si1 C1 B3 B2 116.77(18) . . . . ?
Si1 C1 B3 B5 155.89(15) . . . . ?
Si1 C1 B3 B7 -141.12(15) . . . . ?
Si1 C1 B1 B2 -114.47(19) . . . . ?
Si1 C1 B1 B9 104.35(19) . . . . ?
Si1 C1 B1 B10 142.87(17) . . . . ?
Si1 C1 B1 B4 -154.06(16) . . . . ?
O2 S1 C33 F2 56.5(2) . . . . ?
O2 S1 C33 F3 -62.1(2) . . . . ?
O2 S1 C33 F1 177.4(2) . . . . ?
O3 S1 C33 F2 176.4(2) . . . . ?
O3 S1 C33 F3 57.8(2) . . . . ?
O3 S1 C33 F1 -62.8(2) . . . . ?
N4 Si2 N3 C22 -4.49(13) . . . . ?
N4 Si2 N3 C18 -172.3(3) . . . . ?
N2 Si1 N1 C7 3.26(13) . . . . ?
N2 Si1 N1 C3 166.7(3) . . . . ?
N2 C7 C8 C9 97.4(3) . . . . ?
N2 C7 C8 C13 -82.7(3) . . . . ?
N1 Si1 N2 C7 -3.26(13) . . . . ?
N1 Si1 N2 C14 -159.2(2) . . . . ?
N1 C7 C8 C9 -86.1(3) . . . . ?
N1 C7 C8 C13 93.7(3) . . . . ?
O1 S1 C33 F2 -62.8(2) . . . . ?
O1 S1 C33 F3 178.5(2) . . . . ?
O1 S1 C33 F1 58.0(2) . . . . ?
N3 Si2 N4 C22 4.48(13) . . . . ?
N3 Si2 N4 C29 161.9(2) . . . . ?
C9 C8 C13 C12 0.5(4) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C7 Si1 N2 C14 -156.0(3) . . . . ?
C7 Si1 N1 C3 163.5(3) . . . . ?
C7 N2 C14 C17 176.5(2) . . . . ?
C7 N2 C14 C15 -65.8(3) . . . . ?
C7 N2 C14 C16 57.7(3) . . . . ?
C7 N1 C3 C4 -172.7(2) . . . . ?
C7 N1 C3 C5 69.7(3) . . . . ?
C7 N1 C3 C6 -53.7(3) . . . . ?
C7 C8 C13 C12 -179.4(2) . . . . ?
C1 Si1 N2 C7 -105.83(14) . . . . ?
C1 Si1 N2 C14 98.2(2) . . . . ?
C1 Si1 N1 C7 105.69(14) . . . . ?
C1 Si1 N1 C3 -90.8(2) . . . . ?
C1 C2 B8 B9 38.48(17) . . . . ?
C1 C2 B8 B7 -103.24(19) . . . . ?
C1 C2 B8 B10 -0.2(2) . . . . ?
C1 C2 B8 B6 -63.2(2) . . . . ?
C1 C2 B9 B8 -137.86(18) . . . . ?
C1 C2 B9 B10 -98.93(19) . . . . ?
C1 C2 B9 B1 -36.21(16) . . . . ?
C1 C2 B3 B2 36.01(16) . . . . ?
C1 C2 B3 B5 98.57(19) . . . . ?
C1 C2 B3 B7 138.01(19) . . . . ?
C1 C2 B7 B8 102.62(19) . . . . ?
C1 C2 B7 B3 -38.66(17) . . . . ?
C1 C2 B7 B5 0.2(2) . . . . ?
C1 C2 B7 B6 62.8(2) . . . . ?
C1 B2 B3 C2 -36.09(16) . . . . ?
C1 B2 B3 B5 -135.3(2) . . . . ?
C1 B2 B3 B7 -97.5(2) . . . . ?
C1 B2 B5 B3 38.82(17) . . . . ?
C1 B2 B5 B7 1.2(3) . . . . ?
C1 B2 B5 B4 -98.7(2) . . . . ?
C1 B2 B5 B6 -61.8(2) . . . . ?
C1 B2 B1 B9 34.26(17) . . . . ?
C1 B2 B1 B10 97.45(19) . . . . ?
C1 B2 B1 B4 134.88(19) . . . . ?
C1 B2 B4 B5 99.59(19) . . . . ?
C1 B2 B4 B10 -1.7(2) . . . . ?
C1 B2 B4 B1 -38.71(16) . . . . ?
C1 B2 B4 B6 62.0(2) . . . . ?
C1 B9 B10 B8 -99.98(19) . . . . ?
C1 B9 B10 B1 37.86(17) . . . . ?
C1 B9 B10 B4 0.0(2) . . . . ?
C1 B9 B10 B6 -62.3(2) . . . . ?
C1 B9 B1 B2 -34.37(17) . . . . ?
C1 B9 B1 B10 -136.0(2) . . . . ?
C1 B9 B1 B4 -97.8(2) . . . . ?
C1 B3 B5 B2 -38.39(17) . . . . ?
C1 B3 B5 B7 99.57(19) . . . . ?
C1 B3 B5 B4 -0.6(2) . . . . ?
C1 B3 B5 B6 62.1(2) . . . . ?
C1 B3 B7 C2 36.39(16) . . . . ?
C1 B3 B7 B8 2.0(2) . . . . ?
C1 B3 B7 B5 -98.9(2) . . . . ?
C1 B3 B7 B6 -61.3(2) . . . . ?
C1 B1 B4 B2 39.11(16) . . . . ?
C1 B1 B4 B5 1.9(2) . . . . ?
C1 B1 B4 B10 -99.46(18) . . . . ?
C1 B1 B4 B6 -62.0(2) . . . . ?
C23 C28 C27 C26 0.1(4) . . . . ?
C23 C24 C25 C26 -0.9(4) . . . . ?
C14 N2 C7 Si1 159.2(2) . . . . ?
C14 N2 C7 N1 163.6(2) . . . . ?
C14 N2 C7 C8 -19.4(4) . . . . ?
C28 C23 C22 N4 85.6(3) . . . . ?
C28 C23 C22 N3 -92.8(3) . . . . ?
C28 C23 C24 C25 0.1(4) . . . . ?
C28 C27 C26 C25 -0.9(4) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C8 C13 C12 C11 0.1(4) . . . . ?
C22 Si2 N4 C29 157.4(3) . . . . ?
C22 Si2 N3 C18 -167.9(3) . . . . ?
C22 N4 C29 C30 68.6(3) . . . . ?
C22 N4 C29 C32 -173.1(2) . . . . ?
C22 N4 C29 C31 -54.5(3) . . . . ?
C22 N3 C18 C19 -69.2(3) . . . . ?
C22 N3 C18 C21 54.7(3) . . . . ?
C22 N3 C18 C20 173.3(2) . . . . ?
C22 C23 C28 C27 179.4(2) . . . . ?
C22 C23 C24 C25 -179.0(2) . . . . ?
C18 N3 C22 Si2 170.0(3) . . . . ?
C18 N3 C22 N4 176.1(2) . . . . ?
C18 N3 C22 C23 -5.3(4) . . . . ?
C24 C23 C28 C27 0.3(4) . . . . ?
C24 C23 C22 N4 -95.3(3) . . . . ?
C24 C23 C22 N3 86.4(3) . . . . ?
C24 C25 C26 C27 1.3(4) . . . . ?
C29 N4 C22 Si2 -161.1(3) . . . . ?
C29 N4 C22 N3 -167.2(2) . . . . ?
C29 N4 C22 C23 14.2(4) . . . . ?
C10 C9 C8 C7 179.2(2) . . . . ?
C10 C9 C8 C13 -0.6(4) . . . . ?
C10 C11 C12 C13 -0.6(4) . . . . ?
C2 Si2 N4 C22 108.23(14) . . . . ?
C2 Si2 N4 C29 -94.3(2) . . . . ?
C2 Si2 N3 C22 -109.58(14) . . . . ?
C2 Si2 N3 C18 82.6(3) . . . . ?
C2 C1 B2 B3 37.99(17) . . . . ?
C2 C1 B2 B5 -1.1(2) . . . . ?
C2 C1 B2 B1 -103.26(19) . . . . ?
C2 C1 B2 B4 -63.8(2) . . . . ?
C2 C1 B9 B8 36.70(16) . . . . ?
C2 C1 B9 B10 99.45(18) . . . . ?
C2 C1 B9 B1 138.12(19) . . . . ?
C2 C1 B3 B2 -138.42(19) . . . . ?
C2 C1 B3 B5 -99.30(19) . . . . ?
C2 C1 B3 B7 -36.31(16) . . . . ?
C2 C1 B1 B2 102.87(19) . . . . ?
C2 C1 B1 B9 -38.31(17) . . . . ?
C2 C1 B1 B10 0.2(2) . . . . ?
C2 C1 B1 B4 63.3(2) . . . . ?
C2 B8 B9 C1 -36.85(16) . . . . ?
C2 B8 B9 B10 -135.81(19) . . . . ?
C2 B8 B9 B1 -98.1(2) . . . . ?
C2 B8 B7 B3 34.32(17) . . . . ?
C2 B8 B7 B5 97.3(2) . . . . ?
C2 B8 B7 B6 134.51(19) . . . . ?
C2 B8 B10 B9 38.12(17) . . . . ?
C2 B8 B10 B1 0.3(2) . . . . ?
C2 B8 B10 B4 -62.6(2) . . . . ?
C2 B8 B10 B6 -99.3(2) . . . . ?
C2 B8 B6 B5 -2.1(2) . . . . ?
C2 B8 B6 B7 -39.32(17) . . . . ?
C2 B8 B6 B10 99.24(19) . . . . ?
C2 B8 B6 B4 61.6(2) . . . . ?
C2 B9 B10 B8 -38.31(17) . . . . ?
C2 B9 B10 B1 99.53(19) . . . . ?
C2 B9 B10 B4 61.7(2) . . . . ?
C2 B9 B10 B6 -0.7(2) . . . . ?
C2 B9 B1 C1 36.57(16) . . . . ?
C2 B9 B1 B2 2.2(2) . . . . ?
C2 B9 B1 B10 -99.43(19) . . . . ?
C2 B9 B1 B4 -61.2(2) . . . . ?
C2 B3 B5 B2 -99.5(2) . . . . ?
C2 B3 B5 B7 38.49(17) . . . . ?
C2 B3 B5 B4 -61.6(2) . . . . ?
C2 B3 B5 B6 1.0(2) . . . . ?
C2 B3 B7 B8 -34.37(17) . . . . ?
C2 B3 B7 B5 -135.3(2) . . . . ?
C2 B3 B7 B6 -97.7(2) . . . . ?
C2 B7 B6 B8 39.39(17) . . . . ?
C2 B7 B6 B5 -99.1(2) . . . . ?
C2 B7 B6 B10 2.4(2) . . . . ?
C2 B7 B6 B4 -61.6(2) . . . . ?
C3 N1 C7 Si1 -166.0(3) . . . . ?
C3 N1 C7 N2 -170.4(2) . . . . ?
C3 N1 C7 C8 12.6(4) . . . . ?
B8 C2 B9 C1 137.86(18) . . . . ?
B8 C2 B9 B10 38.92(17) . . . . ?
B8 C2 B9 B1 101.6(2) . . . . ?
B8 C2 B3 C1 -101.08(19) . . . . ?
B8 C2 B3 B2 -65.1(2) . . . . ?
B8 C2 B3 B5 -2.5(2) . . . . ?
B8 C2 B3 B7 36.94(18) . . . . ?
B8 C2 B7 B3 -141.28(19) . . . . ?
B8 C2 B7 B5 -102.4(2) . . . . ?
B8 C2 B7 B6 -39.82(17) . . . . ?
B8 B9 B10 B1 137.8(2) . . . . ?
B8 B9 B10 B4 100.0(2) . . . . ?
B8 B9 B10 B6 37.66(17) . . . . ?
B8 B9 B1 C1 98.3(2) . . . . ?
B8 B9 B1 B2 63.9(2) . . . . ?
B8 B9 B1 B10 -37.71(18) . . . . ?
B8 B9 B1 B4 0.5(2) . . . . ?
B8 B7 B6 B5 -138.47(19) . . . . ?
B8 B7 B6 B10 -37.01(18) . . . . ?
B8 B7 B6 B4 -101.0(2) . . . . ?
B8 B10 B1 C1 -0.3(3) . . . . ?
B8 B10 B1 B2 -62.4(2) . . . . ?
B8 B10 B1 B9 37.76(18) . . . . ?
B8 B10 B1 B4 -99.6(2) . . . . ?
B8 B10 B4 B2 64.4(2) . . . . ?
B8 B10 B4 B5 1.0(3) . . . . ?
B8 B10 B4 B1 101.4(2) . . . . ?
B8 B10 B4 B6 -36.89(18) . . . . ?
B8 B10 B6 B5 100.5(2) . . . . ?
B8 B10 B6 B7 36.83(18) . . . . ?
B8 B10 B6 B4 138.3(2) . . . . ?
B2 C1 C2 Si2 -145.64(16) . . . . ?
B2 C1 C2 B8 67.2(2) . . . . ?
B2 C1 C2 B9 106.6(2) . . . . ?
B2 C1 C2 B3 -38.83(18) . . . . ?
B2 C1 C2 B7 0.5(2) . . . . ?
B2 C1 B9 C2 -100.68(19) . . . . ?
B2 C1 B9 B8 -64.0(2) . . . . ?
B2 C1 B9 B10 -1.2(2) . . . . ?
B2 C1 B9 B1 37.44(18) . . . . ?
B2 C1 B3 C2 138.42(19) . . . . ?
B2 C1 B3 B5 39.11(17) . . . . ?
B2 C1 B3 B7 102.1(2) . . . . ?
B2 C1 B1 B9 -141.18(19) . . . . ?
B2 C1 B1 B10 -102.7(2) . . . . ?
B2 C1 B1 B4 -39.58(18) . . . . ?
B2 B3 B5 B7 138.0(2) . . . . ?
B2 B3 B5 B4 37.84(18) . . . . ?
B2 B3 B5 B6 100.5(2) . . . . ?
B2 B3 B7 C2 97.7(2) . . . . ?
B2 B3 B7 B8 63.3(2) . . . . ?
B2 B3 B7 B5 -37.63(18) . . . . ?
B2 B3 B7 B6 0.0(3) . . . . ?
B2 B5 B7 C2 -0.9(3) . . . . ?
B2 B5 B7 B8 -62.8(2) . . . . ?
B2 B5 B7 B3 37.77(19) . . . . ?
B2 B5 B7 B6 -100.0(2) . . . . ?
B2 B5 B4 B10 100.5(2) . . . . ?
B2 B5 B4 B1 37.21(18) . . . . ?
B2 B5 B4 B6 138.3(2) . . . . ?
B2 B5 B6 B8 64.3(2) . . . . ?
B2 B5 B6 B7 101.2(2) . . . . ?
B2 B5 B6 B10 0.8(2) . . . . ?
B2 B5 B6 B4 -37.09(18) . . . . ?
B2 B1 B4 B5 -37.20(18) . . . . ?
B2 B1 B4 B10 -138.57(19) . . . . ?
B2 B1 B4 B6 -101.1(2) . . . . ?
B2 B4 B6 B8 -63.3(3) . . . . ?
B2 B4 B6 B5 37.30(19) . . . . ?
B2 B4 B6 B7 -0.2(3) . . . . ?
B2 B4 B6 B10 -100.7(2) . . . . ?
B9 C1 C2 Si2 107.76(17) . . . . ?
B9 C1 C2 B8 -39.41(17) . . . . ?
B9 C1 C2 B3 -145.43(18) . . . . ?
B9 C1 C2 B7 -106.1(2) . . . . ?
B9 C1 B2 B3 103.6(2) . . . . ?
B9 C1 B2 B5 64.6(2) . . . . ?
B9 C1 B2 B1 -37.60(18) . . . . ?
B9 C1 B2 B4 1.9(2) . . . . ?
B9 C1 B3 C2 32.21(17) . . . . ?
B9 C1 B3 B2 -106.2(2) . . . . ?
B9 C1 B3 B5 -67.1(2) . . . . ?
B9 C1 B3 B7 -4.1(2) . . . . ?
B9 C1 B1 B2 141.18(19) . . . . ?
B9 C1 B1 B10 38.52(18) . . . . ?
B9 C1 B1 B4 101.6(2) . . . . ?
B9 C2 B8 B7 -141.72(19) . . . . ?
B9 C2 B8 B10 -38.67(18) . . . . ?
B9 C2 B8 B6 -101.65(19) . . . . ?
B9 C2 B3 C1 -32.37(17) . . . . ?
B9 C2 B3 B2 3.6(2) . . . . ?
B9 C2 B3 B5 66.2(2) . . . . ?
B9 C2 B3 B7 105.6(2) . . . . ?
B9 C2 B7 B8 36.86(18) . . . . ?
B9 C2 B7 B3 -104.4(2) . . . . ?
B9 C2 B7 B5 -65.5(2) . . . . ?
B9 C2 B7 B6 -3.0(2) . . . . ?
B9 B8 B7 C2 -33.72(17) . . . . ?
B9 B8 B7 B3 0.6(2) . . . . ?
B9 B8 B7 B5 63.5(2) . . . . ?
B9 B8 B7 B6 100.8(2) . . . . ?
B9 B8 B10 B1 -37.81(18) . . . . ?
B9 B8 B10 B4 -100.7(2) . . . . ?
B9 B8 B10 B6 -137.4(2) . . . . ?
B9 B8 B6 B5 -63.5(2) . . . . ?
B9 B8 B6 B7 -100.7(2) . . . . ?
B9 B8 B6 B10 37.85(18) . . . . ?
B9 B8 B6 B4 0.2(3) . . . . ?
B9 B10 B1 C1 -38.08(17) . . . . ?
B9 B10 B1 B2 -100.1(2) . . . . ?
B9 B10 B1 B4 -137.35(19) . . . . ?
B9 B10 B4 B2 1.1(2) . . . . ?
B9 B10 B4 B5 -62.3(2) . . . . ?
B9 B10 B4 B1 38.06(17) . . . . ?
B9 B10 B4 B6 -100.2(2) . . . . ?
B9 B10 B6 B8 -37.92(17) . . . . ?
B9 B10 B6 B5 62.6(2) . . . . ?
B9 B10 B6 B7 -1.1(2) . . . . ?
B9 B10 B6 B4 100.4(2) . . . . ?
B9 B1 B4 B2 100.7(2) . . . . ?
B9 B1 B4 B5 63.5(2) . . . . ?
B9 B1 B4 B10 -37.89(17) . . . . ?
B9 B1 B4 B6 -0.4(3) . . . . ?
B3 C1 C2 Si2 -106.81(17) . . . . ?
B3 C1 C2 B8 106.02(19) . . . . ?
B3 C1 C2 B9 145.43(18) . . . . ?
B3 C1 C2 B7 39.36(18) . . . . ?
B3 C1 B2 B5 -39.05(18) . . . . ?
B3 C1 B2 B1 -141.25(19) . . . . ?
B3 C1 B2 B4 -101.8(2) . . . . ?
B3 C1 B9 C2 -32.22(17) . . . . ?
B3 C1 B9 B8 4.5(2) . . . . ?
B3 C1 B9 B10 67.2(2) . . . . ?
B3 C1 B9 B1 105.9(2) . . . . ?
B3 C1 B1 B2 37.19(18) . . . . ?
B3 C1 B1 B9 -104.0(2) . . . . ?
B3 C1 B1 B10 -65.5(2) . . . . ?
B3 C1 B1 B4 -2.4(2) . . . . ?
B3 C2 B8 B9 104.6(2) . . . . ?
B3 C2 B8 B7 -37.15(18) . . . . ?
B3 C2 B8 B10 65.9(2) . . . . ?
B3 C2 B8 B6 2.9(2) . . . . ?
B3 C2 B9 C1 32.53(17) . . . . ?
B3 C2 B9 B8 -105.33(19) . . . . ?
B3 C2 B9 B10 -66.4(2) . . . . ?
B3 C2 B9 B1 -3.7(2) . . . . ?
B3 C2 B7 B8 141.28(19) . . . . ?
B3 C2 B7 B5 38.89(18) . . . . ?
B3 C2 B7 B6 101.5(2) . . . . ?
B3 B2 B5 B7 -37.63(19) . . . . ?
B3 B2 B5 B4 -137.5(2) . . . . ?
B3 B2 B5 B6 -100.6(2) . . . . ?
B3 B2 B1 C1 -34.34(17) . . . . ?
B3 B2 B1 B9 -0.1(3) . . . . ?
B3 B2 B1 B10 63.1(2) . . . . ?
B3 B2 B1 B4 100.5(2) . . . . ?
B3 B2 B4 B5 37.69(18) . . . . ?
B3 B2 B4 B10 -63.6(2) . . . . ?
B3 B2 B4 B1 -100.6(2) . . . . ?
B3 B2 B4 B6 0.2(3) . . . . ?
B3 B5 B7 C2 -38.65(17) . . . . ?
B3 B5 B7 B8 -100.6(2) . . . . ?
B3 B5 B7 B6 -137.8(2) . . . . ?
B3 B5 B4 B2 -38.05(18) . . . . ?
B3 B5 B4 B10 62.5(2) . . . . ?
B3 B5 B4 B1 -0.8(2) . . . . ?
B3 B5 B4 B6 100.3(2) . . . . ?
B3 B5 B6 B8 0.7(2) . . . . ?
B3 B5 B6 B7 37.61(18) . . . . ?
B3 B5 B6 B10 -62.8(2) . . . . ?
B3 B5 B6 B4 -100.7(2) . . . . ?
B3 B7 B6 B8 101.1(2) . . . . ?
B3 B7 B6 B5 -37.35(18) . . . . ?
B3 B7 B6 B10 64.1(2) . . . . ?
B3 B7 B6 B4 0.1(3) . . . . ?
B5 B2 B3 C1 135.3(2) . . . . ?
B5 B2 B3 C2 99.24(19) . . . . ?
B5 B2 B3 B7 37.85(18) . . . . ?
B5 B2 B1 C1 -97.41(19) . . . . ?
B5 B2 B1 B9 -63.2(2) . . . . ?
B5 B2 B1 B10 0.0(2) . . . . ?
B5 B2 B1 B4 37.47(18) . . . . ?
B5 B2 B4 B10 -101.3(2) . . . . ?
B5 B2 B4 B1 -138.30(19) . . . . ?
B5 B2 B4 B6 -37.54(19) . . . . ?
B5 B3 B7 C2 135.3(2) . . . . ?
B5 B3 B7 B8 101.0(2) . . . . ?
B5 B3 B7 B6 37.63(19) . . . . ?
B5 B7 B6 B8 138.47(19) . . . . ?
B5 B7 B6 B10 101.5(2) . . . . ?
B5 B7 B6 B4 37.45(19) . . . . ?
B5 B4 B6 B8 -100.6(2) . . . . ?
B5 B4 B6 B7 -37.46(19) . . . . ?
B5 B4 B6 B10 -138.0(2) . . . . ?
B7 C2 B8 B9 141.72(19) . . . . ?
B7 C2 B8 B10 103.1(2) . . . . ?
B7 C2 B8 B6 40.07(18) . . . . ?
B7 C2 B9 C1 101.2(2) . . . . ?
B7 C2 B9 B8 -36.61(19) . . . . ?
B7 C2 B9 B10 2.3(2) . . . . ?
B7 C2 B9 B1 65.0(2) . . . . ?
B7 C2 B3 C1 -138.01(19) . . . . ?
B7 C2 B3 B2 -102.0(2) . . . . ?
B7 C2 B3 B5 -39.44(18) . . . . ?
B7 B8 B9 C1 -3.0(2) . . . . ?
B7 B8 B9 C2 33.84(17) . . . . ?
B7 B8 B9 B10 -102.0(2) . . . . ?
B7 B8 B9 B1 -64.3(2) . . . . ?
B7 B8 B10 B9 100.0(2) . . . . ?
B7 B8 B10 B1 62.2(2) . . . . ?
B7 B8 B10 B4 -0.7(2) . . . . ?
B7 B8 B10 B6 -37.48(18) . . . . ?
B7 B8 B6 B5 37.22(18) . . . . ?
B7 B8 B6 B10 138.56(19) . . . . ?
B7 B8 B6 B4 100.9(2) . . . . ?
B7 B3 B5 B2 -138.0(2) . . . . ?
B7 B3 B5 B4 -100.1(2) . . . . ?
B7 B3 B5 B6 -37.46(18) . . . . ?
B7 B5 B4 B2 -101.3(2) . . . . ?
B7 B5 B4 B10 -0.8(3) . . . . ?
B7 B5 B4 B1 -64.1(2) . . . . ?
B7 B5 B4 B6 36.97(18) . . . . ?
B7 B5 B6 B8 -36.94(18) . . . . ?
B7 B5 B6 B10 -100.4(2) . . . . ?
B7 B5 B6 B4 -138.3(2) . . . . ?
B10 B8 B9 C1 98.96(19) . . . . ?
B10 B8 B9 C2 135.81(19) . . . . ?
B10 B8 B9 B1 37.69(18) . . . . ?
B10 B8 B7 C2 -97.02(19) . . . . ?
B10 B8 B7 B3 -62.7(2) . . . . ?
B10 B8 B7 B5 0.2(2) . . . . ?
B10 B8 B7 B6 37.49(18) . . . . ?
B10 B8 B6 B5 -101.3(2) . . . . ?
B10 B8 B6 B7 -138.56(19) . . . . ?
B10 B8 B6 B4 -37.63(18) . . . . ?
B10 B9 B1 C1 136.0(2) . . . . ?
B10 B9 B1 B2 101.6(2) . . . . ?
B10 B9 B1 B4 38.25(18) . . . . ?
B10 B1 B4 B2 138.57(19) . . . . ?
B10 B1 B4 B5 101.4(2) . . . . ?
B10 B1 B4 B6 37.48(18) . . . . ?
B10 B4 B6 B8 37.40(18) . . . . ?
B10 B4 B6 B5 138.0(2) . . . . ?
B10 B4 B6 B7 100.5(2) . . . . ?
B1 C1 C2 Si2 147.15(16) . . . . ?
B1 C1 C2 B8 0.0(2) . . . . ?
B1 C1 C2 B9 39.39(18) . . . . ?
B1 C1 C2 B3 -106.0(2) . . . . ?
B1 C1 C2 B7 -66.7(2) . . . . ?
B1 C1 B2 B3 141.25(19) . . . . ?
B1 C1 B2 B5 102.2(2) . . . . ?
B1 C1 B2 B4 39.49(18) . . . . ?
B1 C1 B9 C2 -138.12(19) . . . . ?
B1 C1 B9 B8 -101.4(2) . . . . ?
B1 C1 B9 B10 -38.67(17) . . . . ?
B1 C1 B3 C2 101.17(19) . . . . ?
B1 C1 B3 B2 -37.24(18) . . . . ?
B1 C1 B3 B5 1.9(2) . . . . ?
B1 C1 B3 B7 64.9(2) . . . . ?
B1 B2 B3 C1 34.04(17) . . . . ?
B1 B2 B3 C2 -2.1(2) . . . . ?
B1 B2 B3 B5 -101.3(2) . . . . ?
B1 B2 B3 B7 -63.4(2) . . . . ?
B1 B2 B5 B3 100.1(2) . . . . ?
B1 B2 B5 B7 62.5(2) . . . . ?
B1 B2 B5 B4 -37.39(18) . . . . ?
B1 B2 B5 B6 -0.5(2) . . . . ?
B1 B2 B4 B5 138.30(19) . . . . ?
B1 B2 B4 B10 36.97(17) . . . . ?
B1 B2 B4 B6 100.8(2) . . . . ?
B1 B9 B10 B8 -137.8(2) . . . . ?
B1 B9 B10 B4 -37.81(18) . . . . ?
B1 B9 B10 B6 -100.2(2) . . . . ?
B1 B10 B4 B2 -37.00(18) . . . . ?
B1 B10 B4 B5 -100.4(2) . . . . ?
B1 B10 B4 B6 -138.2(2) . . . . ?
B1 B10 B6 B8 -101.3(2) . . . . ?
B1 B10 B6 B5 -0.8(2) . . . . ?
B1 B10 B6 B7 -64.5(2) . . . . ?
B1 B10 B6 B4 36.97(17) . . . . ?
B1 B4 B6 B8 0.1(3) . . . . ?
B1 B4 B6 B5 100.7(2) . . . . ?
B1 B4 B6 B7 63.2(2) . . . . ?
B1 B4 B6 B10 -37.29(19) . . . . ?
B4 B2 B3 C1 97.4(2) . . . . ?
B4 B2 B3 C2 61.3(2) . . . . ?
B4 B2 B3 B5 -37.95(19) . . . . ?
B4 B2 B3 B7 -0.1(3) . . . . ?
B4 B2 B5 B3 137.5(2) . . . . ?
B4 B2 B5 B7 99.9(2) . . . . ?
B4 B2 B5 B6 36.88(18) . . . . ?
B4 B2 B1 C1 -134.88(19) . . . . ?
B4 B2 B1 B9 -100.6(2) . . . . ?
B4 B2 B1 B10 -37.43(18) . . . . ?
B4 B5 B7 C2 62.3(2) . . . . ?
B4 B5 B7 B8 0.3(2) . . . . ?
B4 B5 B7 B3 101.0(2) . . . . ?
B4 B5 B7 B6 -36.84(18) . . . . ?
B4 B5 B6 B8 101.4(2) . . . . ?
B4 B5 B6 B7 138.3(2) . . . . ?
B4 B5 B6 B10 37.88(18) . . . . ?
B4 B10 B1 C1 99.3(2) . . . . ?
B4 B10 B1 B2 37.23(18) . . . . ?
B4 B10 B1 B9 137.35(19) . . . . ?
B4 B10 B6 B8 -138.3(2) . . . . ?
B4 B10 B6 B5 -37.74(18) . . . . ?
B4 B10 B6 B7 -101.4(2) . . . . ?
B6 B8 B9 C1 60.8(2) . . . . ?
B6 B8 B9 C2 97.6(2) . . . . ?
B6 B8 B9 B10 -38.17(18) . . . . ?
B6 B8 B9 B1 -0.5(2) . . . . ?
B6 B8 B7 C2 -134.51(19) . . . . ?
B6 B8 B7 B3 -100.2(2) . . . . ?
B6 B8 B7 B5 -37.24(18) . . . . ?
B6 B8 B10 B9 137.4(2) . . . . ?
B6 B8 B10 B1 99.6(2) . . . . ?
B6 B8 B10 B4 36.74(18) . . . . ?
B6 B5 B7 C2 99.2(2) . . . . ?
B6 B5 B7 B8 37.19(18) . . . . ?
B6 B5 B7 B3 137.8(2) . . . . ?
B6 B5 B4 B2 -138.3(2) . . . . ?
B6 B5 B4 B10 -37.78(18) . . . . ?
B6 B5 B4 B1 -101.1(2) . . . . ?
B6 B10 B1 C1 62.5(2) . . . . ?
B6 B10 B1 B2 0.4(2) . . . . ?
B6 B10 B1 B9 100.6(2) . . . . ?
B6 B10 B1 B4 -36.78(18) . . . . ?
B6 B10 B4 B2 101.2(2) . . . . ?
B6 B10 B4 B5 37.85(19) . . . . ?
B6 B10 B4 B1 138.2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2428093'
loop_
_audit_author_name
_audit_author_address
'Jian Xu'
;Technical University of Berlin
Germany
;
_audit_update_record             
;
2025-03-01 deposited with the CCDC.	2025-05-19 downloaded from the CCDC.
;
_audit_creation_date             2024-11-27
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H56 B10 Bi N4 Si2, 2[C7H8]'
_chemical_formula_sum            'C46 H72 B10 Bi N4 Si2'
_chemical_formula_weight         1054.33
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.0111 8.9310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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      orthorhombic
_space_group_IT_number           63
_space_group_name_H-M_alt        'C m c m'
_space_group_name_Hall           '-C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   23.2329(4)
_cell_length_b                   18.6010(4)
_cell_length_c                   13.6308(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5890.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10878
_cell_measurement_temperature    110.07(12)
_cell_measurement_theta_max      72.4760
_cell_measurement_theta_min      2.4070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.487
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2148
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0935
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21230
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.824
_diffrn_reflns_theta_min         3.805
_diffrn_ambient_temperature      111.15
_diffrn_detector_area_resol_mean 10.5435
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     10.00  98.00   1.00    7.00    --   41.62-125.00 120.00   88
  2  ω    -31.00  50.00   1.00    7.00    --   41.62 -57.00-120.00   81
  3  ω      6.00  58.00   1.00    7.00    --   41.62-125.00-150.00   52
  4  ω    100.00 139.00   1.00    8.00    --  103.63  77.00 -90.00   39
  5  ω     90.00 136.00   1.00    8.00    --  103.63 -77.00-180.00   46
  6  ω     30.00  72.00   1.00    8.00    --  103.63 -77.00-180.00   42
  7  ω     83.00 150.00   1.00    8.00    --  103.63  45.00-120.00   67
  8  ω     82.00 122.00   1.00    8.00    --  103.63  77.00 -30.00   40
  9  ω     95.00 148.00   1.00    8.00    --  103.63 111.00 150.00   53
 10  ω     51.00 127.00   1.00    8.00    --  103.63 -61.00 -30.00   76
 11  ω     99.00 147.00   1.00    8.00    --  103.63 111.00 -90.00   48
 12  ω     44.00  70.00   1.00    8.00    --  103.63 -15.00  90.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2807
_reflns_number_total             3118
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.404
_refine_diff_density_min         -1.571
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         3118
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0561
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0781P)²+32.9507P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.1545
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Bi1(0.24) Bi2(0.01)
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C11(H11), C8(H8), C10(H10), C9(H9)
2.b Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C)
2.c Boron cage BH refined with riding coordinates:
 B4(H4), B2(H2), B3(H3), B1(H1)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.0000 0.23445(3) 0.2500 0.0455(2) Uani 0.96 4 d S T P A 1
Si1 Si 0.07579(8) 0.33551(11) 0.2500 0.0331(4) Uani 1 2 d S T P A .
N1 N 0.13829(16) 0.3239(2) 0.3289(3) 0.0294(8) Uani 1 1 d . . . . .
C7 C 0.2344(2) 0.2951(4) 0.2500 0.0254(12) Uani 1 2 d S T P . .
C12 C 0.2523(3) 0.2247(4) 0.2500 0.0297(14) Uani 1 2 d S T P A .
H12 H 0.2248 0.1869 0.2500 0.036 Uiso 1 2 calc R U P . .
C6 C 0.1714(3) 0.3132(3) 0.2500 0.0237(12) Uani 1 2 d S T P A .
C11 C 0.3109(3) 0.2089(4) 0.2500 0.0339(15) Uani 1 2 d S T P . .
H11 H 0.3234 0.1602 0.2500 0.041 Uiso 1 2 calc R U P A .
C8 C 0.2746(3) 0.3510(4) 0.2500 0.0343(15) Uani 1 2 d S T P A .
H8 H 0.2626 0.3998 0.2500 0.041 Uiso 1 2 calc R U P . .
C10 C 0.3507(3) 0.2632(5) 0.2500 0.0391(17) Uani 1 2 d S T P A .
H10 H 0.3905 0.2520 0.2500 0.047 Uiso 1 2 calc R U P . .
C2 C 0.1501(2) 0.3121(3) 0.4348(3) 0.0352(11) Uani 1 1 d . . . . .
C3 C 0.0987(2) 0.3407(3) 0.4912(3) 0.0380(12) Uani 1 1 d . . . . .
H3A H 0.0942 0.3922 0.4780 0.057 Uiso 1 1 calc R U . . .
H3B H 0.1048 0.3332 0.5616 0.057 Uiso 1 1 calc R U . . .
H3C H 0.0639 0.3151 0.4705 0.057 Uiso 1 1 calc R U . . .
C9 C 0.3337(3) 0.3329(5) 0.2500 0.0469(19) Uani 1 2 d S T P . .
H9 H 0.3618 0.3700 0.2500 0.056 Uiso 1 2 calc R U P A .
C1 C 0.0488(3) 0.4292(5) 0.2500 0.0396(17) Uani 1 2 d S T P A .
B4 B 0.0000 0.5427(4) 0.3549(5) 0.0273(14) Uani 1 2 d S T P A .
H4 H 0.0000 0.5705 0.4278 0.033 Uiso 1 2 calc R U P . .
C4 C 0.1564(3) 0.2318(3) 0.4533(4) 0.0580(19) Uani 1 1 d . . . . .
H4A H 0.1219 0.2068 0.4298 0.087 Uiso 1 1 calc R U . . .
H4B H 0.1611 0.2232 0.5238 0.087 Uiso 1 1 calc R U . . .
H4C H 0.1902 0.2137 0.4182 0.087 Uiso 1 1 calc R U . . .
C5 C 0.2033(3) 0.3533(5) 0.4672(4) 0.0600(18) Uani 1 1 d . . . . .
H5A H 0.2377 0.3299 0.4407 0.090 Uiso 1 1 calc R U . . .
H5B H 0.2053 0.3537 0.5391 0.090 Uiso 1 1 calc R U . . .
H5C H 0.2011 0.4028 0.4429 0.090 Uiso 1 1 calc R U . . .
B2 B 0.0643(2) 0.5004(3) 0.3159(4) 0.0332(12) Uani 1 1 d . . . . .
H2 H 0.1037 0.5032 0.3631 0.040 Uiso 1 1 calc R U . A .
B3 B 0.0382(3) 0.5761(5) 0.2500 0.0322(16) Uani 1 2 d S T P A .
H3 H 0.0622 0.6284 0.2500 0.039 Uiso 1 2 calc R U P . .
B1 B 0.0000 0.4453(4) 0.1572(5) 0.0269(15) Uani 1 2 d S T P . .
H1 H 0.0000 0.4029 0.0989 0.032 Uiso 1 2 calc R U P A .
Bi2 Bi 0.0000 0.1931(5) 0.2500 0.0127(14) Uiso 0.04 4 d S . P A 2


_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 Si1 2.576(2) . ?
Bi1 Si1 2.576(2) 3 ?
Si1 N1 1.820(4) . ?
Si1 N1 1.820(4) 10_556 ?
Si1 C6 2.260(6) . ?
Si1 C1 1.851(8) . ?
Si1 Bi2 3.181(8) . ?
N1 C6 1.338(5) . ?
N1 C2 1.485(6) . ?
C7 C12 1.376(9) . ?
C7 C6 1.500(8) . ?
C7 C8 1.398(10) . ?
C12 H12 0.9500 . ?
C12 C11 1.393(10) . ?
C6 N1 1.338(5) 10_556 ?
C11 H11 0.9500 . ?
C11 C10 1.369(12) . ?
C8 H8 0.9500 . ?
C8 C9 1.413(11) . ?
C10 H10 0.9500 . ?
C10 C9 1.355(12) . ?
C2 C3 1.517(6) . ?
C2 C4 1.523(8) . ?
C2 C5 1.519(8) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C9 H9 0.9500 . ?
C1 B2 1.641(10) . ?
C1 B2 1.641(10) 10_556 ?
C1 B1 1.725(7) . ?
C1 B1 1.725(7) 10_556 ?
B4 H4 1.1200 . ?
B4 B2 1.770(7) 12 ?
B4 B2 1.770(7) . ?
B4 B3 1.795(8) . ?
B4 B3 1.795(8) 3 ?
B4 B1 1.819(11) 10_556 ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
B2 B2 1.796(11) 10_556 ?
B2 H2 1.1200 . ?
B2 B3 1.776(9) . ?
B2 B1 1.849(7) 10_556 ?
B3 B4 1.795(8) 10_556 ?
B3 B2 1.776(9) 10_556 ?
B3 B3 1.777(15) 3 ?
B3 H3 1.1200 . ?
B1 C1 1.725(7) 3 ?
B1 B4 1.819(11) 10_556 ?
B1 B2 1.849(7) 3 ?
B1 B2 1.849(7) 10_556 ?
B1 H1 1.1200 . ?
Bi2 Si1 3.181(8) 3 ?

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
Si1 Bi1 Si1 86.25(8) . 3 ?
N1 Si1 Bi1 117.33(15) . . ?
N1 Si1 Bi1 117.33(15) 10_556 . ?
N1 Si1 N1 72.5(2) . 10_556 ?
N1 Si1 C6 36.28(12) . . ?
N1 Si1 C6 36.28(12) 10_556 . ?
N1 Si1 C1 112.4(2) 10_556 . ?
N1 Si1 C1 112.4(2) . . ?
N1 Si1 Bi2 110.06(17) 10_556 . ?
N1 Si1 Bi2 110.06(17) . . ?
C6 Si1 Bi1 122.56(17) . . ?
C6 Si1 Bi2 113.03(19) . . ?
C1 Si1 Bi1 117.1(3) . . ?
C1 Si1 C6 120.3(3) . . ?
C1 Si1 Bi2 126.6(3) . . ?
C6 N1 Si1 90.1(3) . . ?
C6 N1 C2 130.8(4) . . ?
C2 N1 Si1 137.7(3) . . ?
C12 C7 C6 120.6(6) . . ?
C12 C7 C8 120.3(6) . . ?
C8 C7 C6 119.0(6) . . ?
C7 C12 H12 120.1 . . ?
C7 C12 C11 119.8(7) . . ?
C11 C12 H12 120.1 . . ?
N1 C6 Si1 53.6(3) 10_556 . ?
N1 C6 Si1 53.6(3) . . ?
N1 C6 N1 107.1(5) . 10_556 ?
N1 C6 C7 126.5(3) 10_556 . ?
N1 C6 C7 126.5(3) . . ?
C7 C6 Si1 177.6(4) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 C12 120.2(7) . . ?
C10 C11 H11 119.9 . . ?
C7 C8 H8 120.9 . . ?
C7 C8 C9 118.2(7) . . ?
C9 C8 H8 120.9 . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.7(7) . . ?
C9 C10 H10 119.7 . . ?
N1 C2 C3 107.2(4) . . ?
N1 C2 C4 108.9(4) . . ?
N1 C2 C5 111.0(4) . . ?
C3 C2 C4 109.6(5) . . ?
C3 C2 C5 108.4(5) . . ?
C5 C2 C4 111.6(5) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.7(7) . . ?
C10 C9 H9 119.7 . . ?
B2 C1 Si1 133.3(4) 10_556 . ?
B2 C1 Si1 133.3(4) . . ?
B2 C1 B2 66.4(5) . 10_556 ?
B2 C1 B1 66.6(3) 10_556 . ?
B2 C1 B1 113.9(5) . . ?
B2 C1 B1 66.6(3) . 10_556 ?
B2 C1 B1 113.9(5) 10_556 10_556 ?
B1 C1 Si1 112.7(4) . . ?
B1 C1 Si1 112.7(4) 10_556 . ?
B1 C1 B1 94.3(5) . 10_556 ?
B2 B4 H4 118.1 . . ?
B2 B4 H4 118.1 12 . ?
B2 B4 B2 115.2(6) 12 . ?
B2 B4 B3 59.8(3) 12 3 ?
B2 B4 B3 59.8(3) . . ?
B2 B4 B3 109.4(5) . 3 ?
B2 B4 B3 109.4(5) 12 . ?
B2 B4 B1 62.0(3) . 10_556 ?
B2 B4 B1 62.0(3) 12 10_556 ?
B3 B4 H4 123.1 . . ?
B3 B4 H4 123.1 3 . ?
B3 B4 B3 59.3(5) 3 . ?
B3 B4 B1 105.8(5) . 10_556 ?
B3 B4 B1 105.8(5) 3 10_556 ?
B1 B4 H4 122.7 10_556 . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 B2 B4 109.8(4) . . ?
C1 B2 B2 56.8(3) . 10_556 ?
C1 B2 H2 122.1 . . ?
C1 B2 B3 106.8(4) . . ?
C1 B2 B1 58.9(4) . 10_556 ?
B4 B2 B2 107.5(3) . 10_556 ?
B4 B2 H2 119.8 . . ?
B4 B2 B3 60.8(3) . . ?
B4 B2 B1 60.3(3) . 10_556 ?
B2 B2 H2 125.0 10_556 . ?
B2 B2 B1 101.4(3) 10_556 10_556 ?
B3 B2 B2 59.6(2) . 10_556 ?
B3 B2 H2 122.1 . . ?
B3 B2 B1 105.3(4) . 10_556 ?
B1 B2 H2 124.9 10_556 . ?
B4 B3 B4 105.6(5) 10_556 . ?
B4 B3 H3 123.2 . . ?
B4 B3 H3 123.2 10_556 . ?
B2 B3 B4 59.4(3) 10_556 10_556 ?
B2 B3 B4 107.3(5) 10_556 . ?
B2 B3 B4 107.3(5) . 10_556 ?
B2 B3 B4 59.4(3) . . ?
B2 B3 B2 60.7(5) 10_556 . ?
B2 B3 B3 109.9(3) 10_556 3 ?
B2 B3 B3 109.9(3) . 3 ?
B2 B3 H3 121.2 10_556 . ?
B2 B3 H3 121.2 . . ?
B3 B3 B4 60.3(2) 3 . ?
B3 B3 B4 60.3(2) 3 10_556 ?
B3 B3 H3 119.9 3 . ?
C1 B1 C1 82.2(5) 3 . ?
C1 B1 B4 103.9(5) . 10_556 ?
C1 B1 B4 103.8(5) 3 10_556 ?
C1 B1 B2 118.8(5) 3 10_556 ?
C1 B1 B2 54.5(4) 3 3 ?
C1 B1 B2 54.5(4) . 10_556 ?
C1 B1 B2 118.8(5) . 3 ?
C1 B1 H1 113.5 3 . ?
C1 B1 H1 113.5 . . ?
B4 B1 B2 57.7(3) 10_556 10_556 ?
B4 B1 B2 57.7(3) 10_556 3 ?
B4 B1 H1 129.6 10_556 . ?
B2 B1 B2 107.8(5) 10_556 3 ?
B2 B1 H1 122.1 10_556 . ?
B2 B1 H1 122.1 3 . ?
Si1 Bi2 Si1 67.21(19) . 3 ?

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 Si1 N1 C6 108.6(3) . . . . ?
Bi1 Si1 N1 C2 -57.6(5) . . . . ?
Bi1 Si1 C1 B2 131.2(5) . . . . ?
Bi1 Si1 C1 B2 -131.2(5) . . . 10_556 ?
Bi1 Si1 C1 B1 52.6(4) . . . 10_556 ?
Bi1 Si1 C1 B1 -52.6(4) . . . . ?
Si1 N1 C6 N1 4.9(5) . . . 10_556 ?
Si1 N1 C6 C7 -177.0(5) . . . . ?
Si1 N1 C2 C3 -23.9(7) . . . . ?
Si1 N1 C2 C4 94.6(6) . . . . ?
Si1 N1 C2 C5 -142.1(5) . . . . ?
Si1 C1 B2 B4 -133.5(5) . . . . ?
Si1 C1 B2 B2 128.1(6) . . . 10_556 ?
Si1 C1 B2 B3 162.1(5) . . . . ?
Si1 C1 B2 B1 -99.8(5) . . . 10_556 ?
Si1 C1 B1 C1 97.0(4) . . . 3 ?
Si1 C1 B1 B4 -160.6(3) . . . 10_556 ?
Si1 C1 B1 B2 139.0(4) . . . 3 ?
Si1 C1 B1 B2 -129.0(4) . . . 10_556 ?
N1 Si1 N1 C6 -3.6(4) 10_556 . . . ?
N1 Si1 N1 C2 -169.8(4) 10_556 . . . ?
N1 Si1 C1 B2 -88.5(5) 10_556 . . . ?
N1 Si1 C1 B2 88.5(5) . . . 10_556 ?
N1 Si1 C1 B2 -9.0(6) . . . . ?
N1 Si1 C1 B2 9.0(6) 10_556 . . 10_556 ?
N1 Si1 C1 B1 -87.6(4) . . . 10_556 ?
N1 Si1 C1 B1 87.6(4) 10_556 . . . ?
N1 Si1 C1 B1 -167.1(3) 10_556 . . 10_556 ?
N1 Si1 C1 B1 167.1(3) . . . . ?
C7 C12 C11 C10 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C12 C7 C6 N1 91.2(5) . . . . ?
C12 C7 C6 N1 -91.1(5) . . . 10_556 ?
C12 C7 C8 C9 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C6 Si1 N1 C2 -166.2(7) . . . . ?
C6 Si1 C1 B2 -48.8(5) . . . . ?
C6 Si1 C1 B2 48.8(5) . . . 10_556 ?
C6 Si1 C1 B1 -127.4(4) . . . 10_556 ?
C6 Si1 C1 B1 127.4(4) . . . . ?
C6 N1 C2 C3 174.5(5) . . . . ?
C6 N1 C2 C4 -67.0(7) . . . . ?
C6 N1 C2 C5 56.2(7) . . . . ?
C6 C7 C12 C11 180.0 . . . . ?
C6 C7 C8 C9 180.0 . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C7 C6 N1 88.9(5) . . . 10_556 ?
C8 C7 C6 N1 -88.8(5) . . . . ?
C2 N1 C6 Si1 167.7(6) . . . . ?
C2 N1 C6 N1 172.6(3) . . . 10_556 ?
C2 N1 C6 C7 -9.3(9) . . . . ?
C1 Si1 N1 C6 -111.2(3) . . . . ?
C1 Si1 N1 C2 82.6(5) . . . . ?
C1 B2 B3 B4 103.6(4) . . . . ?
C1 B2 B3 B4 5.3(5) . . . 10_556 ?
C1 B2 B3 B2 -32.9(4) . . . 10_556 ?
C1 B2 B3 B3 69.3(4) . . . 3 ?
B4 B2 B3 B4 -98.3(5) . . . 10_556 ?
B4 B2 B3 B2 -136.6(4) . . . 10_556 ?
B4 B2 B3 B3 -34.3(3) . . . 3 ?
B2 C1 B2 B4 98.4(4) 10_556 . . . ?
B2 C1 B2 B3 34.1(4) 10_556 . . . ?
B2 C1 B2 B1 132.2(4) 10_556 . . 10_556 ?
B2 C1 B1 C1 -134.0(4) 10_556 . . 3 ?
B2 C1 B1 C1 -86.1(6) . . . 3 ?
B2 C1 B1 B4 -31.6(3) 10_556 . . 10_556 ?
B2 C1 B1 B4 16.4(5) . . . 10_556 ?
B2 C1 B1 B2 -44.1(7) . . . 3 ?
B2 C1 B1 B2 -92.1(6) 10_556 . . 3 ?
B2 C1 B1 B2 47.9(5) . . . 10_556 ?
B2 B4 B2 C1 0.0(8) 12 . . . ?
B2 B4 B2 B2 60.2(5) 12 . . 10_556 ?
B2 B4 B2 B3 98.7(6) 12 . . . ?
B2 B4 B2 B1 -33.2(5) 12 . . 10_556 ?
B2 B4 B3 B4 101.1(5) . . . 10_556 ?
B2 B4 B3 B4 -7.4(8) 12 . . 10_556 ?
B2 B4 B3 B2 38.9(4) . . . 10_556 ?
B2 B4 B3 B2 -108.5(6) 12 . . . ?
B2 B4 B3 B2 -69.6(5) 12 . . 10_556 ?
B2 B4 B3 B3 34.0(3) 12 . . 3 ?
B2 B4 B3 B3 142.4(3) . . . 3 ?
B2 B2 B3 B4 136.6(4) 10_556 . . . ?
B2 B2 B3 B4 38.3(2) 10_556 . . 10_556 ?
B2 B2 B3 B3 102.3(2) 10_556 . . 3 ?
B3 B4 B2 C1 -98.7(4) . . . . ?
B3 B4 B2 C1 -64.9(6) 3 . . . ?
B3 B4 B2 B2 -4.7(5) 3 . . 10_556 ?
B3 B4 B2 B2 -38.4(3) . . . 10_556 ?
B3 B4 B2 B3 33.8(4) 3 . . . ?
B3 B4 B2 B1 -131.9(5) . . . 10_556 ?
B3 B4 B2 B1 -98.1(5) 3 . . 10_556 ?
B3 B4 B3 B4 -41.3(6) 3 . . 10_556 ?
B3 B4 B3 B2 -142.4(3) 3 . . . ?
B3 B4 B3 B2 -103.5(4) 3 . . 10_556 ?
B1 C1 B2 B4 -33.7(4) 10_556 . . . ?
B1 C1 B2 B4 50.4(6) . . . . ?
B1 C1 B2 B2 -48.1(3) . . . 10_556 ?
B1 C1 B2 B2 -132.2(4) 10_556 . . 10_556 ?
B1 C1 B2 B3 -98.1(4) 10_556 . . . ?
B1 C1 B2 B3 -14.0(6) . . . . ?
B1 C1 B2 B1 84.1(5) . . . 10_556 ?
B1 C1 B1 C1 -19.8(7) 10_556 . . 3 ?
B1 C1 B1 B4 82.6(5) 10_556 . . 10_556 ?
B1 C1 B1 B2 22.2(8) 10_556 . . 3 ?
B1 C1 B1 B2 114.2(5) 10_556 . . 10_556 ?
B1 B4 B2 C1 33.2(4) 10_556 . . . ?
B1 B4 B2 B2 93.4(3) 10_556 . . 10_556 ?
B1 B4 B2 B3 131.9(5) 10_556 . . . ?
B1 B4 B3 B4 58.0(5) 10_556 . . 10_556 ?
B1 B4 B3 B2 -43.1(3) 10_556 . . . ?
B1 B4 B3 B2 -4.2(4) 10_556 . . 10_556 ?
B1 B4 B3 B3 99.3(3) 10_556 . . 3 ?
B1 B2 B3 B4 42.1(4) 10_556 . . . ?
B1 B2 B3 B4 -56.2(5) 10_556 . . 10_556 ?
B1 B2 B3 B2 -94.4(4) 10_556 . . 10_556 ?
B1 B2 B3 B3 7.8(4) 10_556 . . 3 ?
Bi2 Si1 N1 C6 101.9(3) . . . . ?
Bi2 Si1 N1 C2 -64.3(5) . . . . ?
Bi2 Si1 C1 B2 -131.2(5) . . . 10_556 ?
Bi2 Si1 C1 B2 131.2(5) . . . . ?
Bi2 Si1 C1 B1 -52.6(4) . . . . ?
Bi2 Si1 C1 B1 52.6(4) . . . 10_556 ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 336 electrons were 
found in a volume of 1442Å³ in 1 void per unit cell. 
This is consistent with the presence of 
2[C6H6] per formula unit 
which account for 336 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.404 0.000 0.000 721.3 168.4 '4 C6H6'
2 -0.857 0.500 0.500 721.3 168.4 '4 C6H6'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2428095'
loop_
_audit_author_name
_audit_author_address
'Jian Xu'
;Technical University of Berlin
Germany
;
_audit_update_record             
;
2025-03-01 deposited with the CCDC.	2025-05-19 downloaded from the CCDC.
;
_audit_creation_date             2024-11-27
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H59 B10 Bi N4 Si2, 2(C F3 O3 S), C H2 Cl2'
_chemical_formula_sum            'C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2'
_chemical_formula_weight         1268.16
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.0111 8.9310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.1469(4)
_cell_length_b                   18.0810(3)
_cell_length_c                   18.3593(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.144(2)
_cell_angle_gamma                90
_cell_volume                     5306.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19361
_cell_measurement_temperature    111.3(6)
_cell_measurement_theta_max      72.1180
_cell_measurement_theta_min      3.3850
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.186
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.137a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2536
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_unetI/netI     0.0689
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36892
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.874
_diffrn_reflns_theta_min         3.414
_diffrn_ambient_temperature      111.15
_diffrn_detector_area_resol_mean 10.5435
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00  39.00   1.00    6.00    --  -41.50  19.00-180.00  105
  2  ω    -44.00  -7.00   1.00    6.00    --  -41.50 125.00-150.00   37
  3  ω   -115.00 -23.00   1.00    6.00    --  -41.50 -38.00   0.00   92
  4  ω    -96.00 -12.00   1.00    6.00    --  -41.50 125.00 120.00   84
  5  ω     32.00  96.00   1.00    6.00    --   41.50-125.00 -30.00   64
  6  ω     54.00 109.00   1.00    7.00    --  103.94-111.00-150.00   55
  7  ω     97.00 124.00   1.00    7.00    --  103.94 -77.00 -60.00   27
  8  ω     43.00 124.00   1.00    7.00    --  103.94 -45.00 -90.00   81
  9  ω     31.00 109.00   1.00    7.00    --  103.94-111.00  90.00   78
 10  ω     47.00  74.00   1.00    7.00    --  103.94-111.00 120.00   27
 11  ω     33.00 158.00   1.00    7.00    --  103.94   0.00-120.00  125
 12  ω     71.00  98.00   1.00    7.00    --  103.94 -94.00 -90.00   27
 13  ω     31.00 116.00   1.00    7.00    --  103.94 -45.00  60.00   85
 14  ω     32.00 127.00   1.00    7.00    --  103.94 -45.00-180.00   95
 15  ω     66.00 108.00   1.00    7.00    --  103.94-111.00   0.00   42
 16  ω     95.00 158.00   1.00    7.00    --  103.94  45.00 -90.00   63
 17  ω    108.00 141.00   1.00    7.00    --  103.94 111.00-150.00   33
 18  ω     66.00 109.00   1.00    7.00    --  103.94-111.00 -90.00   43
 19  ω    117.00 146.00   1.00    7.00    --  103.94 178.00-120.00   29
 20  ω     24.00  49.00   1.00    7.00    --  103.94 -94.00-150.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8214
_reflns_number_total             10398
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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       'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.137a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.143
_refine_diff_density_min         -2.912
_refine_diff_density_rms         0.233
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         10398
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0620
_refine_ls_restrained_S_all      1.043
_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)+(0.1581P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1785
_refine_ls_wR_factor_ref         0.2149
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(C36) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Bi1) = Uanis(Bi1A)
2. Others
 Sof(Bi1A)=1-FVAR(1)
 Sof(Bi1)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C36(H36A,H36B)
3.b Aromatic/amide H refined with riding coordinates:
 C25(H25), C14(H14), C10(H10), C26(H26), C29(H29), C13(H13), C27(H27),
 C11(H11), C12(H12), C28(H28)
3.c Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C7(H7A,H7B,H7C), C22(H22A,H22B,H22C), C21(H21A,H21B,
 H21C), C5(H5A,H5B,H5C), C33(H33A,H33B,H33C), C6(H6A,H6B,H6C), C20(H20A,H20B,
 H20C), C32(H32A,H32B,H32C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C3(H3A,
 H3B,H3C), C18(H18A,H18B,H18C)
3.d Boron cage BH refined with riding coordinates:
 B7(H7), B4(H4), B9(H9), B10(H10A), B1(H1), B8(H8), B6(H6), B5(H5), B3(H3),
 B2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.58579(2) 0.33784(2) 0.63021(2) 0.03299(16) Uani 0.9592(12) 1 d . . P A
1
Si2 Si 0.47018(11) 0.29093(9) 0.71258(10) 0.0240(4) Uani 1 1 d . . . . .
Si1 Si 0.48585(12) 0.25840(9) 0.52724(10) 0.0272(4) Uani 1 1 d . . . . .
S1 S 0.71178(12) 0.41371(10) 0.79534(11) 0.0382(4) Uani 1 1 d . . . . .
S2 S 0.72434(15) 0.35345(12) 0.47147(13) 0.0473(5) Uani 1 1 d . . . . .
Cl1 Cl 0.8827(2) 0.61529(14) 0.40995(16) 0.0750(8) Uani 1 1 d . . . . .
Cl2 Cl 0.9222(3) 0.53359(17) 0.28530(16) 0.0858(10) Uani 1 1 d . . . . .
F3 F 0.7077(5) 0.5148(3) 0.8961(3) 0.0708(17) Uani 1 1 d . . . . .
O3 O 0.6242(4) 0.3990(3) 0.7944(3) 0.0489(14) Uani 1 1 d . . . . .
N1 N 0.5168(3) 0.2023(3) 0.4549(3) 0.0266(11) Uani 1 1 d . . . . .
N3 N 0.4910(4) 0.2589(3) 0.8068(3) 0.0268(11) Uani 1 1 d . . . . .
N2 N 0.4492(4) 0.3045(3) 0.4425(3) 0.0278(11) Uani 1 1 d . . . . .
N4 N 0.4242(4) 0.3576(3) 0.7682(3) 0.0253(11) Uani 1 1 d . . . . .
F1 F 0.8024(5) 0.5322(4) 0.8254(4) 0.081(2) Uani 1 1 d . . . . .
O1 O 0.7666(4) 0.3744(3) 0.8491(4) 0.0574(17) Uani 1 1 d . . . . .
F2 F 0.6732(5) 0.5548(3) 0.7870(4) 0.091(3) Uani 1 1 d . . . . .
F5 F 0.7790(5) 0.4465(4) 0.5756(4) 0.0793(19) Uani 1 1 d . . . . .
F4 F 0.8644(5) 0.4284(5) 0.4995(5) 0.105(3) Uani 1 1 d . . . . .
C2 C 0.3857(4) 0.2308(3) 0.6574(3) 0.0210(11) Uani 1 1 d . . . . .
O2 O 0.7363(5) 0.4159(4) 0.7234(4) 0.065(2) Uani 1 1 d . . . . .
C8 C 0.4832(4) 0.2518(4) 0.4055(4) 0.0285(14) Uani 1 1 d . . . . .
O5 O 0.7396(6) 0.3433(5) 0.3990(5) 0.084(3) Uani 1 1 d . . . . .
C25 C 0.5175(5) 0.3857(4) 0.9441(4) 0.0323(14) Uani 1 1 d . . . . .
H25 H 0.5641 0.3998 0.9209 0.039 Uiso 1 1 calc R U . . .
C9 C 0.4829(4) 0.2473(4) 0.3242(4) 0.0299(14) Uani 1 1 d . . . . .
C1 C 0.3945(4) 0.2121(3) 0.5671(3) 0.0230(12) Uani 1 1 d . . . . .
C30 C 0.3857(4) 0.4329(3) 0.7602(4) 0.0276(13) Uani 1 1 d . . . . .
C23 C 0.4558(4) 0.3207(4) 0.8288(4) 0.0272(13) Uani 1 1 d . . . . .
C4 C 0.5648(4) 0.1325(4) 0.4449(4) 0.0287(14) Uani 1 1 d . . . . .
C14 C 0.4134(5) 0.2167(4) 0.2825(4) 0.0379(16) Uani 1 1 d . . . . .
H14 H 0.3676 0.2004 0.3056 0.046 Uiso 1 1 calc R U . . .
C24 C 0.4528(5) 0.3441(3) 0.9058(4) 0.0295(14) Uani 1 1 d . . . . .
C10 C 0.5501(5) 0.2731(4) 0.2909(4) 0.0339(15) Uani 1 1 d . . . . .
H10 H 0.5977 0.2942 0.3197 0.041 Uiso 1 1 calc R U . . .
C26 C 0.5136(5) 0.4064(4) 1.0157(4) 0.0376(16) Uani 1 1 d . . . . .
H26 H 0.5578 0.4342 1.0422 0.045 Uiso 1 1 calc R U . . .
C29 C 0.3847(5) 0.3237(5) 0.9396(4) 0.0376(17) Uani 1 1 d . . . . .
H29 H 0.3410 0.2949 0.9135 0.045 Uiso 1 1 calc R U . . .
C15 C 0.4118(5) 0.3783(4) 0.4166(4) 0.0366(17) Uani 1 1 d . . . . .
F6 F 0.7560(6) 0.4938(4) 0.4695(6) 0.112(3) Uani 1 1 d . . . . .
C13 C 0.4104(6) 0.2098(5) 0.2075(5) 0.0442(18) Uani 1 1 d . . . . .
H13 H 0.3637 0.1867 0.1791 0.053 Uiso 1 1 calc R U . . .
C19 C 0.5392(5) 0.2002(4) 0.8526(4) 0.0341(15) Uani 1 1 d . . . . .
C31 C 0.4491(5) 0.4910(4) 0.7935(4) 0.0364(16) Uani 1 1 d . . . . .
H31A H 0.5019 0.4843 0.7737 0.055 Uiso 1 1 calc R U . . .
H31B H 0.4589 0.4854 0.8471 0.055 Uiso 1 1 calc R U . . .
H31C H 0.4270 0.5406 0.7809 0.055 Uiso 1 1 calc R U . . .
C7 C 0.5102(5) 0.0802(4) 0.3923(4) 0.0360(16) Uani 1 1 d . . . . .
H7A H 0.5336 0.0301 0.3970 0.054 Uiso 1 1 calc R U . . .
H7B H 0.5090 0.0974 0.3415 0.054 Uiso 1 1 calc R U . . .
H7C H 0.4532 0.0796 0.4048 0.054 Uiso 1 1 calc R U . . .
C22 C 0.4848(7) 0.1663(4) 0.9064(5) 0.048(2) Uani 1 1 d . . . . .
H22A H 0.5144 0.1245 0.9322 0.071 Uiso 1 1 calc R U . . .
H22B H 0.4318 0.1491 0.8790 0.071 Uiso 1 1 calc R U . . .
H22C H 0.4735 0.2038 0.9422 0.071 Uiso 1 1 calc R U . . .
O4 O 0.6436(5) 0.3706(6) 0.4839(6) 0.093(3) Uani 1 1 d . . . . .
C21 C 0.6199(5) 0.2337(4) 0.8933(5) 0.0447(19) Uani 1 1 d . . . . .
H21A H 0.6059 0.2744 0.9247 0.067 Uiso 1 1 calc R U . . .
H21B H 0.6543 0.2526 0.8575 0.067 Uiso 1 1 calc R U . . .
H21C H 0.6511 0.1957 0.9238 0.067 Uiso 1 1 calc R U . . .
B7 B 0.3462(5) 0.1546(4) 0.6976(5) 0.0284(16) Uani 1 1 d . . . . .
H7 H 0.3623 0.1390 0.7569 0.034 Uiso 1 1 calc R U . . .
C5 C 0.5873(5) 0.0980(4) 0.5198(4) 0.0367(16) Uani 1 1 d . . . . .
H5A H 0.5360 0.0850 0.5398 0.055 Uiso 1 1 calc R U . . .
H5B H 0.6199 0.1333 0.5528 0.055 Uiso 1 1 calc R U . . .
H5C H 0.6206 0.0533 0.5156 0.055 Uiso 1 1 calc R U . . .
C33 C 0.3646(6) 0.4484(4) 0.6793(4) 0.046(2) Uani 1 1 d . . . . .
H33A H 0.3379 0.4970 0.6722 0.069 Uiso 1 1 calc R U . . .
H33B H 0.3261 0.4103 0.6565 0.069 Uiso 1 1 calc R U . . .
H33C H 0.4159 0.4478 0.6565 0.069 Uiso 1 1 calc R U . . .
C6 C 0.6449(5) 0.1498(4) 0.4126(5) 0.0428(19) Uani 1 1 d . . . . .
H6A H 0.6767 0.1041 0.4090 0.064 Uiso 1 1 calc R U . . .
H6B H 0.6790 0.1850 0.4446 0.064 Uiso 1 1 calc R U . . .
H6C H 0.6305 0.1714 0.3635 0.064 Uiso 1 1 calc R U . . .
C27 C 0.4452(6) 0.3866(5) 1.0487(5) 0.0450(18) Uani 1 1 d . . . . .
H27 H 0.4430 0.4017 1.0979 0.054 Uiso 1 1 calc R U . . .
C20 C 0.5624(5) 0.1406(4) 0.8004(5) 0.0385(17) Uani 1 1 d . . . . .
H20A H 0.5999 0.1047 0.8281 0.058 Uiso 1 1 calc R U . . .
H20B H 0.5906 0.1634 0.7622 0.058 Uiso 1 1 calc R U . . .
H20C H 0.5116 0.1155 0.7775 0.058 Uiso 1 1 calc R U . . .
B4 B 0.2832(5) 0.2332(4) 0.6697(4) 0.0258(14) Uani 1 1 d . . . . .
H4 H 0.2579 0.2699 0.7106 0.031 Uiso 1 1 calc R U . . .
B9 B 0.4199(5) 0.1445(4) 0.6318(4) 0.0279(15) Uani 1 1 d . . . . .
H9 H 0.4852 0.1236 0.6477 0.033 Uiso 1 1 calc R U . . .
C11 C 0.5458(5) 0.2673(4) 0.2149(4) 0.0411(18) Uani 1 1 d . . . . .
H11 H 0.5909 0.2842 0.1912 0.049 Uiso 1 1 calc R U . . .
C32 C 0.3080(5) 0.4363(4) 0.7987(6) 0.051(2) Uani 1 1 d . . . . .
H32A H 0.3246 0.4324 0.8520 0.077 Uiso 1 1 calc R U . . .
H32B H 0.2705 0.3953 0.7816 0.077 Uiso 1 1 calc R U . . .
H32C H 0.2790 0.4834 0.7871 0.077 Uiso 1 1 calc R U . . .
C16 C 0.4627(6) 0.4144(4) 0.3617(5) 0.048(2) Uani 1 1 d . . . . .
H16A H 0.5217 0.4168 0.3834 0.072 Uiso 1 1 calc R U . . .
H16B H 0.4417 0.4645 0.3502 0.072 Uiso 1 1 calc R U . . .
H16C H 0.4574 0.3849 0.3165 0.072 Uiso 1 1 calc R U . . .
C12 C 0.4754(6) 0.2366(5) 0.1738(4) 0.0451(19) Uani 1 1 d . . . . .
H12 H 0.4720 0.2341 0.1218 0.054 Uiso 1 1 calc R U . . .
C17 C 0.3212(6) 0.3683(5) 0.3852(7) 0.056(2) Uani 1 1 d . . . . .
H17A H 0.3164 0.3304 0.3467 0.084 Uiso 1 1 calc R U . . .
H17B H 0.2986 0.4152 0.3642 0.084 Uiso 1 1 calc R U . . .
H17C H 0.2895 0.3527 0.4244 0.084 Uiso 1 1 calc R U . . .
B10 B 0.3607(5) 0.1242(4) 0.5455(4) 0.0286(16) Uani 1 1 d . . . . .
H10A H 0.3864 0.0879 0.5045 0.034 Uiso 1 1 calc R U . . .
C28 C 0.3801(7) 0.3456(5) 1.0126(5) 0.048(2) Uani 1 1 d . . . . .
H28 H 0.3335 0.3325 1.0363 0.057 Uiso 1 1 calc R U . . .
B1 B 0.3167(5) 0.2695(4) 0.5878(4) 0.0259(14) Uani 1 1 d . . . . .
H1 H 0.3144 0.3301 0.5749 0.031 Uiso 1 1 calc R U . . .
B8 B 0.3296(5) 0.0875(4) 0.6269(4) 0.0292(15) Uani 1 1 d . . . . .
H8 H 0.3349 0.0270 0.6403 0.035 Uiso 1 1 calc R U . . .
C3 C 0.6781(6) 0.2452(5) 0.6662(5) 0.051(2) Uani 1 1 d . . . . .
H3A H 0.7035 0.2534 0.7172 0.076 Uiso 1 1 calc R U . A 1
H3B H 0.7219 0.2445 0.6343 0.076 Uiso 1 1 calc R U . A 1
H3C H 0.6486 0.1976 0.6625 0.076 Uiso 1 1 calc R U . A 1
B6 B 0.2452(5) 0.1413(4) 0.6490(5) 0.0306(16) Uani 1 1 d . . . . .
H6 H 0.1938 0.1166 0.6762 0.037 Uiso 1 1 calc R U . . .
C35 C 0.7852(7) 0.4301(6) 0.5071(6) 0.060(3) Uani 1 1 d . . . . .
B5 B 0.2536(5) 0.1227(4) 0.5548(5) 0.0310(16) Uani 1 1 d . . . . .
H5 H 0.2078 0.0861 0.5202 0.037 Uiso 1 1 calc R U . . .
B3 B 0.2985(6) 0.2016(4) 0.5171(5) 0.0336(17) Uani 1 1 d . . . . .
H3 H 0.2832 0.2174 0.4577 0.040 Uiso 1 1 calc R U . . .
C34 C 0.7239(7) 0.5088(5) 0.8264(5) 0.055(2) Uani 1 1 d . . . . .
B2 B 0.2262(5) 0.2128(4) 0.5821(5) 0.0291(15) Uani 1 1 d . . . . .
H2 H 0.1619 0.2359 0.5655 0.035 Uiso 1 1 calc R U . . .
C18 C 0.4203(9) 0.4276(5) 0.4852(6) 0.063(3) Uani 1 1 d . . . . .
H18A H 0.3956 0.4026 0.5242 0.095 Uiso 1 1 calc R U . . .
H18B H 0.3910 0.4745 0.4731 0.095 Uiso 1 1 calc R U . . .
H18C H 0.4796 0.4374 0.5020 0.095 Uiso 1 1 calc R U . . .
O6 O 0.7643(9) 0.2966(5) 0.5214(6) 0.125(5) Uani 1 1 d . . . . .
C36 C 0.9485(12) 0.5483(8) 0.3781(8) 0.101(5) Uani 1 1 d . U . . .
H36A H 1.0073 0.5651 0.3884 0.121 Uiso 1 1 calc R U . . .
H36B H 0.9437 0.5013 0.4048 0.121 Uiso 1 1 calc R U . . .
Bi1A Bi 0.6037(5) 0.3018(6) 0.6322(4) 0.03299(16) Uani 0.0408(12) 1 d . . P A 2


_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 Si2 2.7003(17) . ?
Bi1 Si1 2.7160(19) . ?
Bi1 C3 2.278(9) . ?
Si2 N3 1.810(6) . ?
Si2 N4 1.805(6) . ?
Si2 C2 1.917(6) . ?
Si2 C23 2.244(7) . ?
Si2 Bi1A 2.788(8) . ?
Si1 N1 1.797(6) . ?
Si1 N2 1.790(6) . ?
Si1 C8 2.233(7) . ?
Si1 C1 1.929(7) . ?
Si1 Bi1A 2.629(8) . ?
S1 O3 1.436(6) . ?
S1 O1 1.419(7) . ?
S1 O2 1.432(7) . ?
S1 C34 1.812(10) . ?
S2 O5 1.399(8) . ?
S2 O4 1.390(8) . ?
S2 C35 1.771(11) . ?
S2 O6 1.465(10) . ?
Cl1 C36 1.765(14) . ?
Cl2 C36 1.717(15) . ?
F3 C34 1.346(12) . ?
N1 C8 1.334(9) . ?
N1 C4 1.507(8) . ?
N3 C23 1.340(9) . ?
N3 C19 1.501(8) . ?
N2 C8 1.333(9) . ?
N2 C15 1.513(9) . ?
N4 C30 1.496(8) . ?
N4 C23 1.336(10) . ?
F1 C34 1.339(12) . ?
F2 C34 1.311(11) . ?
F5 C35 1.310(12) . ?
F4 C35 1.307(13) . ?
C2 C1 1.717(9) . ?
C2 B7 1.728(9) . ?
C2 B4 1.703(9) . ?
C2 B9 1.742(9) . ?
C2 B1 1.721(10) . ?
C8 C9 1.493(10) . ?
C25 H25 0.9500 . ?
C25 C24 1.395(10) . ?
C25 C26 1.375(10) . ?
C9 C14 1.382(11) . ?
C9 C10 1.398(9) . ?
C1 B9 1.713(9) . ?
C1 B10 1.708(9) . ?
C1 B1 1.713(9) . ?
C1 B3 1.696(11) . ?
C30 C31 1.532(10) . ?
C30 C33 1.502(10) . ?
C30 C32 1.527(10) . ?
C23 C24 1.483(10) . ?
C4 C7 1.537(10) . ?
C4 C5 1.507(10) . ?
C4 C6 1.530(10) . ?
C14 H14 0.9500 . ?
C14 C13 1.377(11) . ?
C24 C29 1.387(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(11) . ?
C26 H26 0.9500 . ?
C26 C27 1.380(12) . ?
C29 H29 0.9500 . ?
C29 C28 1.410(11) . ?
C15 C16 1.534(11) . ?
C15 C17 1.505(12) . ?
C15 C18 1.533(12) . ?
F6 C35 1.390(13) . ?
C13 H13 0.9500 . ?
C13 C12 1.381(12) . ?
C19 C22 1.539(11) . ?
C19 C21 1.533(11) . ?
C19 C20 1.522(11) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
B7 H7 1.1200 . ?
B7 B4 1.781(11) . ?
B7 B9 1.820(12) . ?
B7 B8 1.769(11) . ?
B7 B6 1.761(12) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C28 1.376(13) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
B4 H4 1.1200 . ?
B4 B1 1.794(10) . ?
B4 B6 1.793(10) . ?
B4 B2 1.775(11) . ?
B9 H9 1.1200 . ?
B9 B10 1.770(11) . ?
B9 B8 1.778(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(13) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C12 H12 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
B10 H10A 1.1200 . ?
B10 B8 1.773(11) . ?
B10 B5 1.763(11) . ?
B10 B3 1.759(12) . ?
C28 H28 0.9500 . ?
B1 H1 1.1200 . ?
B1 B3 1.780(11) . ?
B1 B2 1.777(10) . ?
B8 H8 1.1200 . ?
B8 B6 1.768(11) . ?
B8 B5 1.790(12) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 Bi1A 1.634(14) . ?
B6 H6 1.1200 . ?
B6 B5 1.786(12) . ?
B6 B2 1.779(11) . ?
B5 H5 1.1200 . ?
B5 B3 1.785(11) . ?
B5 B2 1.779(10) . ?
B3 H3 1.1200 . ?
B3 B2 1.796(12) . ?
B2 H2 1.1200 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?

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
Si2 Bi1 Si1 80.44(5) . . ?
C3 Bi1 Si2 94.7(3) . . ?
C3 Bi1 Si1 96.5(2) . . ?
N3 Si2 Bi1 125.9(2) . . ?
N3 Si2 C2 110.2(3) . . ?
N3 Si2 C23 36.6(3) . . ?
N3 Si2 Bi1A 118.4(3) . . ?
N4 Si2 Bi1 118.62(19) . . ?
N4 Si2 N3 73.0(3) . . ?
N4 Si2 C2 111.0(3) . . ?
N4 Si2 C23 36.5(3) . . ?
N4 Si2 Bi1A 131.5(3) . . ?
C2 Si2 Bi1 112.24(19) . . ?
C2 Si2 C23 118.5(3) . . ?
C2 Si2 Bi1A 107.8(2) . . ?
C23 Si2 Bi1 129.05(18) . . ?
C23 Si2 Bi1A 132.7(2) . . ?
N1 Si1 Bi1 127.8(2) . . ?
N1 Si1 C8 36.7(2) . . ?
N1 Si1 C1 110.1(3) . . ?
N1 Si1 Bi1A 117.5(3) . . ?
N2 Si1 Bi1 116.71(19) . . ?
N2 Si1 N1 73.3(3) . . ?
N2 Si1 C8 36.6(2) . . ?
N2 Si1 C1 110.8(3) . . ?
N2 Si1 Bi1A 127.9(3) . . ?
C8 Si1 Bi1 130.57(18) . . ?
C8 Si1 Bi1A 131.2(2) . . ?
C1 Si1 Bi1 112.1(2) . . ?
C1 Si1 C8 116.7(3) . . ?
C1 Si1 Bi1A 111.4(3) . . ?
O3 S1 C34 104.0(4) . . ?
O1 S1 O3 115.6(4) . . ?
O1 S1 O2 115.3(5) . . ?
O1 S1 C34 103.1(4) . . ?
O2 S1 O3 113.2(4) . . ?
O2 S1 C34 103.4(5) . . ?
O5 S2 C35 106.9(5) . . ?
O5 S2 O6 112.4(7) . . ?
O4 S2 O5 118.7(6) . . ?
O4 S2 C35 104.5(6) . . ?
O4 S2 O6 113.2(8) . . ?
O6 S2 C35 98.4(6) . . ?
C8 N1 Si1 89.7(4) . . ?
C8 N1 C4 130.2(6) . . ?
C4 N1 Si1 139.9(5) . . ?
C23 N3 Si2 89.6(4) . . ?
C23 N3 C19 129.0(6) . . ?
C19 N3 Si2 140.5(5) . . ?
C8 N2 Si1 90.1(4) . . ?
C8 N2 C15 130.1(6) . . ?
C15 N2 Si1 138.7(5) . . ?
C30 N4 Si2 138.7(5) . . ?
C23 N4 Si2 89.9(4) . . ?
C23 N4 C30 129.9(6) . . ?
C1 C2 Si2 118.2(4) . . ?
C1 C2 B7 109.9(5) . . ?
C1 C2 B9 59.4(4) . . ?
C1 C2 B1 59.8(4) . . ?
B7 C2 Si2 120.3(4) . . ?
B7 C2 B9 63.3(4) . . ?
B4 C2 Si2 123.2(4) . . ?
B4 C2 C1 110.4(5) . . ?
B4 C2 B7 62.5(4) . . ?
B4 C2 B9 114.2(5) . . ?
B4 C2 B1 63.2(4) . . ?
B9 C2 Si2 114.9(4) . . ?
B1 C2 Si2 119.9(4) . . ?
B1 C2 B7 113.7(5) . . ?
B1 C2 B9 111.1(5) . . ?
N1 C8 Si1 53.6(3) . . ?
N1 C8 C9 125.8(6) . . ?
N2 C8 Si1 53.3(3) . . ?
N2 C8 N1 106.8(6) . . ?
N2 C8 C9 127.3(6) . . ?
C9 C8 Si1 179.0(5) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C26 C25 C24 119.7(7) . . ?
C14 C9 C8 117.5(6) . . ?
C14 C9 C10 120.7(7) . . ?
C10 C9 C8 121.7(6) . . ?
C2 C1 Si1 116.9(4) . . ?
B9 C1 Si1 116.9(4) . . ?
B9 C1 C2 61.0(4) . . ?
B9 C1 B1 113.0(5) . . ?
B10 C1 Si1 123.5(4) . . ?
B10 C1 C2 110.0(5) . . ?
B10 C1 B9 62.3(4) . . ?
B10 C1 B1 113.4(5) . . ?
B1 C1 Si1 116.4(4) . . ?
B1 C1 C2 60.2(4) . . ?
B3 C1 Si1 122.1(5) . . ?
B3 C1 C2 110.6(5) . . ?
B3 C1 B9 114.0(5) . . ?
B3 C1 B10 62.2(4) . . ?
B3 C1 B1 63.0(4) . . ?
N4 C30 C31 109.9(6) . . ?
N4 C30 C33 107.4(5) . . ?
N4 C30 C32 110.4(6) . . ?
C33 C30 C31 108.2(6) . . ?
C33 C30 C32 111.3(7) . . ?
C32 C30 C31 109.5(6) . . ?
N3 C23 Si2 53.7(3) . . ?
N3 C23 C24 126.7(6) . . ?
N4 C23 Si2 53.5(3) . . ?
N4 C23 N3 107.0(6) . . ?
N4 C23 C24 126.2(6) . . ?
C24 C23 Si2 175.2(5) . . ?
N1 C4 C7 109.5(6) . . ?
N1 C4 C5 107.2(5) . . ?
N1 C4 C6 110.7(5) . . ?
C5 C4 C7 111.2(6) . . ?
C5 C4 C6 109.3(7) . . ?
C6 C4 C7 108.9(6) . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.1(7) . . ?
C13 C14 H14 120.0 . . ?
C25 C24 C23 120.8(7) . . ?
C29 C24 C25 120.2(7) . . ?
C29 C24 C23 119.1(6) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.8(7) . . ?
C11 C10 H10 120.6 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(7) . . ?
C27 C26 H26 120.1 . . ?
C24 C29 H29 119.9 . . ?
C24 C29 C28 120.2(8) . . ?
C28 C29 H29 119.9 . . ?
N2 C15 C16 110.8(6) . . ?
N2 C15 C18 105.7(6) . . ?
C17 C15 N2 109.7(6) . . ?
C17 C15 C16 112.5(8) . . ?
C17 C15 C18 110.7(8) . . ?
C18 C15 C16 107.3(7) . . ?
C14 C13 H13 120.2 . . ?
C14 C13 C12 119.7(8) . . ?
C12 C13 H13 120.2 . . ?
N3 C19 C22 110.0(6) . . ?
N3 C19 C21 109.3(6) . . ?
N3 C19 C20 107.7(6) . . ?
C21 C19 C22 111.5(7) . . ?
C20 C19 C22 109.6(6) . . ?
C20 C19 C21 108.6(7) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C2 B7 H7 124.5 . . ?
C2 B7 B4 58.0(4) . . ?
C2 B7 B9 58.7(4) . . ?
C2 B7 B8 105.1(6) . . ?
C2 B7 B6 105.3(6) . . ?
B4 B7 H7 121.6 . . ?
B4 B7 B9 106.8(5) . . ?
B9 B7 H7 122.4 . . ?
B8 B7 H7 122.1 . . ?
B8 B7 B4 108.4(6) . . ?
B8 B7 B9 59.4(4) . . ?
B6 B7 H7 122.0 . . ?
B6 B7 B4 60.8(4) . . ?
B6 B7 B9 107.2(6) . . ?
B6 B7 B8 60.1(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C26 C27 H27 118.9 . . ?
C28 C27 C26 122.2(8) . . ?
C28 C27 H27 118.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C2 B4 B7 59.4(4) . . ?
C2 B4 H4 123.9 . . ?
C2 B4 B1 58.9(4) . . ?
C2 B4 B6 105.0(5) . . ?
C2 B4 B2 105.2(5) . . ?
B7 B4 H4 121.9 . . ?
B7 B4 B1 107.8(5) . . ?
B7 B4 B6 59.0(4) . . ?
B1 B4 H4 121.8 . . ?
B6 B4 H4 122.9 . . ?
B6 B4 B1 107.2(5) . . ?
B2 B4 B7 107.2(5) . . ?
B2 B4 H4 122.5 . . ?
B2 B4 B1 59.7(4) . . ?
B2 B4 B6 59.8(4) . . ?
C2 B9 B7 58.0(4) . . ?
C2 B9 H9 123.7 . . ?
C2 B9 B10 106.0(5) . . ?
C2 B9 B8 104.2(5) . . ?
C1 B9 C2 59.6(4) . . ?
C1 B9 B7 105.9(5) . . ?
C1 B9 H9 123.0 . . ?
C1 B9 B10 58.7(4) . . ?
C1 B9 B8 105.3(5) . . ?
B7 B9 H9 122.8 . . ?
B10 B9 B7 107.1(6) . . ?
B10 B9 H9 122.1 . . ?
B10 B9 B8 60.0(4) . . ?
B8 B9 B7 58.9(4) . . ?
B8 B9 H9 123.6 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.7(7) . . ?
C12 C11 H11 120.2 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C12 C11 120.9(8) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C1 B10 B9 59.0(4) . . ?
C1 B10 H10A 124.3 . . ?
C1 B10 B8 105.7(5) . . ?
C1 B10 B5 106.0(5) . . ?
C1 B10 B3 58.5(4) . . ?
B9 B10 H10A 121.3 . . ?
B9 B10 B8 60.2(4) . . ?
B8 B10 H10A 121.6 . . ?
B5 B10 B9 109.2(5) . . ?
B5 B10 H10A 121.2 . . ?
B5 B10 B8 60.8(5) . . ?
B3 B10 B9 108.2(5) . . ?
B3 B10 H10A 121.1 . . ?
B3 B10 B8 109.2(5) . . ?
B3 B10 B5 60.9(5) . . ?
C29 C28 H28 121.0 . . ?
C27 C28 C29 118.0(8) . . ?
C27 C28 H28 121.0 . . ?
C2 B1 B4 57.9(4) . . ?
C2 B1 H1 123.6 . . ?
C2 B1 B3 106.5(5) . . ?
C2 B1 B2 104.4(5) . . ?
C1 B1 C2 60.0(4) . . ?
C1 B1 B4 106.3(5) . . ?
C1 B1 H1 123.4 . . ?
C1 B1 B3 58.0(4) . . ?
C1 B1 B2 105.0(5) . . ?
B4 B1 H1 122.0 . . ?
B3 B1 B4 108.7(5) . . ?
B3 B1 H1 121.5 . . ?
B2 B1 B4 59.6(4) . . ?
B2 B1 H1 123.3 . . ?
B2 B1 B3 60.6(4) . . ?
B7 B8 B9 61.8(4) . . ?
B7 B8 B10 109.3(5) . . ?
B7 B8 H8 120.7 . . ?
B7 B8 B5 108.4(5) . . ?
B9 B8 H8 121.2 . . ?
B9 B8 B5 107.6(5) . . ?
B10 B8 B9 59.8(4) . . ?
B10 B8 H8 121.8 . . ?
B10 B8 B5 59.3(5) . . ?
B6 B8 B7 59.7(4) . . ?
B6 B8 B9 108.8(5) . . ?
B6 B8 B10 107.9(6) . . ?
B6 B8 H8 121.7 . . ?
B6 B8 B5 60.2(5) . . ?
B5 B8 H8 122.1 . . ?
Bi1 C3 H3A 109.5 . . ?
Bi1 C3 H3B 109.5 . . ?
Bi1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
B7 B6 B4 60.1(4) . . ?
B7 B6 B8 60.1(4) . . ?
B7 B6 H6 121.3 . . ?
B7 B6 B5 108.9(6) . . ?
B7 B6 B2 107.9(5) . . ?
B4 B6 H6 121.9 . . ?
B8 B6 B4 107.9(5) . . ?
B8 B6 H6 121.7 . . ?
B8 B6 B5 60.5(4) . . ?
B8 B6 B2 107.8(5) . . ?
B5 B6 B4 108.0(5) . . ?
B5 B6 H6 121.2 . . ?
B2 B6 B4 59.6(4) . . ?
B2 B6 H6 122.1 . . ?
B2 B6 B5 59.9(4) . . ?
F5 C35 S2 114.7(7) . . ?
F5 C35 F6 102.9(9) . . ?
F4 C35 S2 116.2(8) . . ?
F4 C35 F5 108.6(9) . . ?
F4 C35 F6 103.6(9) . . ?
F6 C35 S2 109.5(8) . . ?
B10 B5 B8 59.9(4) . . ?
B10 B5 B6 107.6(5) . . ?
B10 B5 H5 122.1 . . ?
B10 B5 B3 59.4(4) . . ?
B10 B5 B2 107.5(5) . . ?
B8 B5 H5 122.6 . . ?
B6 B5 B8 59.3(4) . . ?
B6 B5 H5 121.8 . . ?
B3 B5 B8 107.3(5) . . ?
B3 B5 B6 108.4(5) . . ?
B3 B5 H5 121.6 . . ?
B2 B5 B8 106.8(5) . . ?
B2 B5 B6 59.9(4) . . ?
B2 B5 H5 122.0 . . ?
B2 B5 B3 60.5(5) . . ?
C1 B3 B10 59.2(5) . . ?
C1 B3 B1 59.0(4) . . ?
C1 B3 B5 105.6(6) . . ?
C1 B3 H3 123.9 . . ?
C1 B3 B2 104.9(6) . . ?
B10 B3 B1 107.8(6) . . ?
B10 B3 B5 59.7(4) . . ?
B10 B3 H3 121.9 . . ?
B10 B3 B2 106.9(6) . . ?
B1 B3 B5 107.6(6) . . ?
B1 B3 H3 121.7 . . ?
B1 B3 B2 59.6(4) . . ?
B5 B3 H3 122.3 . . ?
B5 B3 B2 59.6(4) . . ?
B2 B3 H3 123.0 . . ?
F3 C34 S1 110.5(6) . . ?
F1 C34 S1 110.8(7) . . ?
F1 C34 F3 107.3(8) . . ?
F2 C34 S1 113.4(7) . . ?
F2 C34 F3 106.4(9) . . ?
F2 C34 F1 108.1(8) . . ?
B4 B2 B1 60.7(4) . . ?
B4 B2 B6 60.6(4) . . ?
B4 B2 B5 109.2(5) . . ?
B4 B2 B3 108.9(6) . . ?
B4 B2 H2 120.7 . . ?
B1 B2 B6 108.6(6) . . ?
B1 B2 B5 108.1(5) . . ?
B1 B2 B3 59.8(4) . . ?
B1 B2 H2 121.6 . . ?
B6 B2 B3 108.2(5) . . ?
B6 B2 H2 121.4 . . ?
B5 B2 B6 60.3(4) . . ?
B5 B2 B3 59.9(4) . . ?
B5 B2 H2 121.5 . . ?
B3 B2 H2 121.7 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Cl1 C36 H36A 109.4 . . ?
Cl1 C36 H36B 109.4 . . ?
Cl2 C36 Cl1 111.1(9) . . ?
Cl2 C36 H36A 109.4 . . ?
Cl2 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
Si1 Bi1A Si2 80.4(2) . . ?
C3 Bi1A Si2 109.6(5) . . ?
C3 Bi1A Si1 120.6(6) . . ?

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 Si2 N3 C23 109.3(4) . . . . ?
Bi1 Si2 N3 C19 -59.4(8) . . . . ?
Bi1 Si2 N4 C30 47.7(7) . . . . ?
Bi1 Si2 N4 C23 -118.0(4) . . . . ?
Bi1 Si1 N1 C8 -109.7(4) . . . . ?
Bi1 Si1 N1 C4 66.2(7) . . . . ?
Bi1 Si1 N2 C8 122.9(4) . . . . ?
Bi1 Si1 N2 C15 -45.3(8) . . . . ?
Si2 N3 C23 N4 5.6(5) . . . . ?
Si2 N3 C23 C24 -174.1(6) . . . . ?
Si2 N3 C19 C22 -136.2(7) . . . . ?
Si2 N3 C19 C21 101.0(8) . . . . ?
Si2 N3 C19 C20 -16.7(10) . . . . ?
Si2 N4 C30 C31 -101.4(7) . . . . ?
Si2 N4 C30 C33 16.1(10) . . . . ?
Si2 N4 C30 C32 137.7(7) . . . . ?
Si2 N4 C23 N3 -5.6(5) . . . . ?
Si2 N4 C23 C24 174.1(6) . . . . ?
Si2 C2 C1 Si1 -3.6(6) . . . . ?
Si2 C2 C1 B9 103.8(5) . . . . ?
Si2 C2 C1 B10 143.8(5) . . . . ?
Si2 C2 C1 B1 -110.1(5) . . . . ?
Si2 C2 C1 B3 -149.4(4) . . . . ?
Si2 C2 B7 B4 114.2(5) . . . . ?
Si2 C2 B7 B9 -104.6(5) . . . . ?
Si2 C2 B7 B8 -143.2(5) . . . . ?
Si2 C2 B7 B6 154.2(4) . . . . ?
Si2 C2 B4 B7 -109.9(5) . . . . ?
Si2 C2 B4 B1 109.8(5) . . . . ?
Si2 C2 B4 B6 -148.9(5) . . . . ?
Si2 C2 B4 B2 148.9(4) . . . . ?
Si2 C2 B9 C1 -109.3(5) . . . . ?
Si2 C2 B9 B7 112.9(5) . . . . ?
Si2 C2 B9 B10 -146.6(4) . . . . ?
Si2 C2 B9 B8 151.0(4) . . . . ?
Si2 C2 B1 C1 107.2(5) . . . . ?
Si2 C2 B1 B4 -114.6(5) . . . . ?
Si2 C2 B1 B3 143.3(5) . . . . ?
Si2 C2 B1 B2 -153.6(4) . . . . ?
Si1 N1 C8 N2 -2.0(5) . . . . ?
Si1 N1 C8 C9 179.0(6) . . . . ?
Si1 N1 C4 C7 126.5(7) . . . . ?
Si1 N1 C4 C5 5.8(10) . . . . ?
Si1 N1 C4 C6 -113.4(8) . . . . ?
Si1 N2 C8 N1 2.0(5) . . . . ?
Si1 N2 C8 C9 -179.0(6) . . . . ?
Si1 N2 C15 C16 125.8(7) . . . . ?
Si1 N2 C15 C17 -109.5(9) . . . . ?
Si1 N2 C15 C18 9.8(11) . . . . ?
Si1 C1 B9 C2 107.4(5) . . . . ?
Si1 C1 B9 B7 143.7(4) . . . . ?
Si1 C1 B9 B10 -115.6(5) . . . . ?
Si1 C1 B9 B8 -154.9(4) . . . . ?
Si1 C1 B10 B9 105.4(6) . . . . ?
Si1 C1 B10 B8 144.9(5) . . . . ?
Si1 C1 B10 B5 -151.6(5) . . . . ?
Si1 C1 B10 B3 -111.9(6) . . . . ?
Si1 C1 B1 C2 -107.3(5) . . . . ?
Si1 C1 B1 B4 -143.4(4) . . . . ?
Si1 C1 B1 B3 114.4(5) . . . . ?
Si1 C1 B1 B2 154.4(4) . . . . ?
Si1 C1 B3 B10 113.9(5) . . . . ?
Si1 C1 B3 B1 -105.6(5) . . . . ?
Si1 C1 B3 B5 152.9(5) . . . . ?
Si1 C1 B3 B2 -145.1(5) . . . . ?
O3 S1 C34 F3 65.3(8) . . . . ?
O3 S1 C34 F1 -176.0(6) . . . . ?
O3 S1 C34 F2 -54.2(9) . . . . ?
N1 Si1 N2 C8 -1.5(4) . . . . ?
N1 Si1 N2 C15 -169.7(8) . . . . ?
N1 C8 C9 C14 94.7(9) . . . . ?
N1 C8 C9 C10 -85.6(9) . . . . ?
N3 Si2 N4 C30 169.9(7) . . . . ?
N3 Si2 N4 C23 4.2(4) . . . . ?
N3 C23 C24 C25 88.1(9) . . . . ?
N3 C23 C24 C29 -91.6(9) . . . . ?
N2 Si1 N1 C8 1.5(4) . . . . ?
N2 Si1 N1 C4 177.4(7) . . . . ?
N2 C8 C9 C14 -84.1(9) . . . . ?
N2 C8 C9 C10 95.7(9) . . . . ?
N4 Si2 N3 C23 -4.2(4) . . . . ?
N4 Si2 N3 C19 -172.8(8) . . . . ?
N4 C23 C24 C25 -91.6(9) . . . . ?
N4 C23 C24 C29 88.8(9) . . . . ?
O1 S1 C34 F3 -55.7(8) . . . . ?
O1 S1 C34 F1 63.0(7) . . . . ?
O1 S1 C34 F2 -175.2(8) . . . . ?
C2 Si2 N3 C23 -110.8(4) . . . . ?
C2 Si2 N3 C19 80.5(8) . . . . ?
C2 Si2 N4 C30 -84.5(7) . . . . ?
C2 Si2 N4 C23 109.9(4) . . . . ?
C2 C1 B9 B7 36.3(4) . . . . ?
C2 C1 B9 B10 137.0(5) . . . . ?
C2 C1 B9 B8 97.7(5) . . . . ?
C2 C1 B10 B9 -39.4(5) . . . . ?
C2 C1 B10 B8 0.1(7) . . . . ?
C2 C1 B10 B5 63.6(7) . . . . ?
C2 C1 B10 B3 103.3(6) . . . . ?
C2 C1 B1 B4 -36.1(4) . . . . ?
C2 C1 B1 B3 -138.2(5) . . . . ?
C2 C1 B1 B2 -98.2(5) . . . . ?
C2 C1 B3 B10 -102.4(5) . . . . ?
C2 C1 B3 B1 38.1(5) . . . . ?
C2 C1 B3 B5 -63.4(6) . . . . ?
C2 C1 B3 B2 -1.4(6) . . . . ?
C2 B7 B4 B1 35.0(5) . . . . ?
C2 B7 B4 B6 134.8(6) . . . . ?
C2 B7 B4 B2 97.9(5) . . . . ?
C2 B7 B9 C1 -37.0(4) . . . . ?
C2 B7 B9 B10 -98.5(5) . . . . ?
C2 B7 B9 B8 -135.6(6) . . . . ?
C2 B7 B8 B9 38.3(5) . . . . ?
C2 B7 B8 B10 0.8(7) . . . . ?
C2 B7 B8 B6 -99.2(6) . . . . ?
C2 B7 B8 B5 -62.3(6) . . . . ?
C2 B7 B6 B4 -38.6(5) . . . . ?
C2 B7 B6 B8 98.9(6) . . . . ?
C2 B7 B6 B5 61.8(6) . . . . ?
C2 B7 B6 B2 -1.7(7) . . . . ?
C2 B4 B1 C1 37.0(4) . . . . ?
C2 B4 B1 B3 98.1(6) . . . . ?
C2 B4 B1 B2 135.1(5) . . . . ?
C2 B4 B6 B7 39.3(5) . . . . ?
C2 B4 B6 B8 1.3(7) . . . . ?
C2 B4 B6 B5 -62.6(6) . . . . ?
C2 B4 B6 B2 -99.2(5) . . . . ?
C2 B4 B2 B1 -38.8(4) . . . . ?
C2 B4 B2 B6 98.7(5) . . . . ?
C2 B4 B2 B5 61.7(6) . . . . ?
C2 B4 B2 B3 -2.1(6) . . . . ?
C2 B9 B10 C1 37.7(4) . . . . ?
C2 B9 B10 B8 -97.4(6) . . . . ?
C2 B9 B10 B5 -59.8(6) . . . . ?
C2 B9 B10 B3 4.8(7) . . . . ?
C2 B9 B8 B7 -37.7(5) . . . . ?
C2 B9 B8 B10 100.6(5) . . . . ?
C2 B9 B8 B6 0.4(7) . . . . ?
C2 B9 B8 B5 64.1(6) . . . . ?
C2 B1 B3 C1 -37.0(5) . . . . ?
C2 B1 B3 B10 -2.0(7) . . . . ?
C2 B1 B3 B5 61.0(7) . . . . ?
C2 B1 B3 B2 97.6(5) . . . . ?
C2 B1 B2 B4 38.1(4) . . . . ?
C2 B1 B2 B6 -0.3(6) . . . . ?
C2 B1 B2 B5 -64.2(6) . . . . ?
C2 B1 B2 B3 -101.0(5) . . . . ?
O2 S1 C34 F3 -176.2(7) . . . . ?
O2 S1 C34 F1 -57.5(8) . . . . ?
O2 S1 C34 F2 64.3(9) . . . . ?
C8 Si1 N1 C4 175.9(9) . . . . ?
C8 Si1 N2 C15 -168.2(10) . . . . ?
C8 N1 C4 C7 -58.8(9) . . . . ?
C8 N1 C4 C5 -179.6(7) . . . . ?
C8 N1 C4 C6 61.2(9) . . . . ?
C8 N2 C15 C16 -38.7(11) . . . . ?
C8 N2 C15 C17 86.0(9) . . . . ?
C8 N2 C15 C18 -154.7(8) . . . . ?
C8 C9 C14 C13 -178.8(7) . . . . ?
C8 C9 C10 C11 -179.9(6) . . . . ?
O5 S2 C35 F5 -179.1(9) . . . . ?
O5 S2 C35 F4 -50.9(10) . . . . ?
O5 S2 C35 F6 65.9(9) . . . . ?
C25 C24 C29 C28 0.7(12) . . . . ?
C25 C26 C27 C28 0.7(13) . . . . ?
C9 C14 C13 C12 -2.9(12) . . . . ?
C9 C10 C11 C12 0.4(11) . . . . ?
C1 Si1 N1 C8 108.1(4) . . . . ?
C1 Si1 N1 C4 -76.0(7) . . . . ?
C1 Si1 N2 C8 -107.1(4) . . . . ?
C1 Si1 N2 C15 84.7(8) . . . . ?
C1 C2 B7 B4 -103.2(5) . . . . ?
C1 C2 B7 B9 37.9(5) . . . . ?
C1 C2 B7 B8 -0.7(7) . . . . ?
C1 C2 B7 B6 -63.2(6) . . . . ?
C1 C2 B4 B7 102.5(5) . . . . ?
C1 C2 B4 B1 -37.9(4) . . . . ?
C1 C2 B4 B6 63.4(6) . . . . ?
C1 C2 B4 B2 1.2(6) . . . . ?
C1 C2 B9 B7 -137.8(5) . . . . ?
C1 C2 B9 B10 -37.3(4) . . . . ?
C1 C2 B9 B8 -99.7(5) . . . . ?
C1 C2 B1 B4 138.2(5) . . . . ?
C1 C2 B1 B3 36.1(5) . . . . ?
C1 C2 B1 B2 99.2(5) . . . . ?
C1 B9 B10 B8 -135.1(5) . . . . ?
C1 B9 B10 B5 -97.6(5) . . . . ?
C1 B9 B10 B3 -32.9(5) . . . . ?
C1 B9 B8 B7 -99.6(6) . . . . ?
C1 B9 B8 B10 38.7(5) . . . . ?
C1 B9 B8 B6 -61.5(7) . . . . ?
C1 B9 B8 B5 2.3(7) . . . . ?
C1 B10 B8 B7 -0.5(7) . . . . ?
C1 B10 B8 B9 -38.9(5) . . . . ?
C1 B10 B8 B6 62.8(7) . . . . ?
C1 B10 B8 B5 99.9(5) . . . . ?
C1 B10 B5 B8 -99.3(6) . . . . ?
C1 B10 B5 B6 -62.8(7) . . . . ?
C1 B10 B5 B3 38.6(5) . . . . ?
C1 B10 B5 B2 0.3(7) . . . . ?
C1 B10 B3 B1 -34.9(5) . . . . ?
C1 B10 B3 B5 -135.3(6) . . . . ?
C1 B10 B3 B2 -97.6(6) . . . . ?
C1 B1 B3 B10 35.0(5) . . . . ?
C1 B1 B3 B5 98.0(6) . . . . ?
C1 B1 B3 B2 134.6(5) . . . . ?
C1 B1 B2 B4 100.4(5) . . . . ?
C1 B1 B2 B6 61.9(6) . . . . ?
C1 B1 B2 B5 -1.9(7) . . . . ?
C1 B1 B2 B3 -38.8(5) . . . . ?
C1 B3 B2 B4 2.1(7) . . . . ?
C1 B3 B2 B1 39.2(5) . . . . ?
C1 B3 B2 B6 -62.2(6) . . . . ?
C1 B3 B2 B5 -99.6(6) . . . . ?
C30 N4 C23 Si2 -167.7(8) . . . . ?
C30 N4 C23 N3 -173.4(6) . . . . ?
C30 N4 C23 C24 6.3(11) . . . . ?
C23 Si2 N3 C19 -168.7(9) . . . . ?
C23 Si2 N4 C30 165.7(9) . . . . ?
C23 N3 C19 C22 58.4(9) . . . . ?
C23 N3 C19 C21 -64.4(9) . . . . ?
C23 N3 C19 C20 177.9(7) . . . . ?
C23 N4 C30 C31 59.8(9) . . . . ?
C23 N4 C30 C33 177.3(7) . . . . ?
C23 N4 C30 C32 -61.1(9) . . . . ?
C23 C24 C29 C28 -179.7(7) . . . . ?
C4 N1 C8 Si1 -176.5(8) . . . . ?
C4 N1 C8 N2 -178.6(6) . . . . ?
C4 N1 C8 C9 2.5(11) . . . . ?
C14 C9 C10 C11 -0.2(11) . . . . ?
C14 C13 C12 C11 3.2(13) . . . . ?
C24 C25 C26 C27 -0.8(11) . . . . ?
C24 C29 C28 C27 -0.7(13) . . . . ?
C10 C9 C14 C13 1.5(11) . . . . ?
C10 C11 C12 C13 -1.9(12) . . . . ?
C26 C25 C24 C23 -179.6(7) . . . . ?
C26 C25 C24 C29 0.1(11) . . . . ?
C26 C27 C28 C29 0.0(14) . . . . ?
C15 N2 C8 Si1 169.8(8) . . . . ?
C15 N2 C8 N1 171.9(7) . . . . ?
C15 N2 C8 C9 -9.2(12) . . . . ?
C19 N3 C23 Si2 170.8(8) . . . . ?
C19 N3 C23 N4 176.4(6) . . . . ?
C19 N3 C23 C24 -3.3(11) . . . . ?
O4 S2 C35 F5 54.2(10) . . . . ?
O4 S2 C35 F4 -177.6(9) . . . . ?
O4 S2 C35 F6 -60.8(9) . . . . ?
B7 C2 C1 Si1 -147.0(4) . . . . ?
B7 C2 C1 B9 -39.6(5) . . . . ?
B7 C2 C1 B10 0.4(7) . . . . ?
B7 C2 C1 B1 106.5(5) . . . . ?
B7 C2 C1 B3 67.2(6) . . . . ?
B7 C2 B4 B1 -140.4(5) . . . . ?
B7 C2 B4 B6 -39.1(5) . . . . ?
B7 C2 B4 B2 -101.2(5) . . . . ?
B7 C2 B9 C1 137.8(5) . . . . ?
B7 C2 B9 B10 100.5(6) . . . . ?
B7 C2 B9 B8 38.1(5) . . . . ?
B7 C2 B1 C1 -100.0(5) . . . . ?
B7 C2 B1 B4 38.2(5) . . . . ?
B7 C2 B1 B3 -63.9(7) . . . . ?
B7 C2 B1 B2 -0.8(7) . . . . ?
B7 B4 B1 C2 -35.2(5) . . . . ?
B7 B4 B1 C1 1.8(6) . . . . ?
B7 B4 B1 B3 62.9(7) . . . . ?
B7 B4 B1 B2 99.9(5) . . . . ?
B7 B4 B6 B8 -37.9(5) . . . . ?
B7 B4 B6 B5 -101.9(6) . . . . ?
B7 B4 B6 B2 -138.4(6) . . . . ?
B7 B4 B2 B1 -100.9(6) . . . . ?
B7 B4 B2 B6 36.6(5) . . . . ?
B7 B4 B2 B5 -0.5(7) . . . . ?
B7 B4 B2 B3 -64.2(6) . . . . ?
B7 B9 B10 C1 98.5(5) . . . . ?
B7 B9 B10 B8 -36.6(5) . . . . ?
B7 B9 B10 B5 0.9(6) . . . . ?
B7 B9 B10 B3 65.6(6) . . . . ?
B7 B9 B8 B10 138.3(6) . . . . ?
B7 B9 B8 B6 38.1(5) . . . . ?
B7 B9 B8 B5 101.8(6) . . . . ?
B7 B8 B6 B4 37.9(5) . . . . ?
B7 B8 B6 B5 139.0(6) . . . . ?
B7 B8 B6 B2 100.9(6) . . . . ?
B7 B8 B5 B10 102.0(6) . . . . ?
B7 B8 B5 B6 -36.7(5) . . . . ?
B7 B8 B5 B3 64.8(7) . . . . ?
B7 B8 B5 B2 1.2(7) . . . . ?
B7 B6 B5 B10 0.2(7) . . . . ?
B7 B6 B5 B8 37.0(5) . . . . ?
B7 B6 B5 B3 -62.6(7) . . . . ?
B7 B6 B5 B2 -100.2(6) . . . . ?
B7 B6 B2 B4 -37.2(5) . . . . ?
B7 B6 B2 B1 1.3(7) . . . . ?
B7 B6 B2 B5 101.9(6) . . . . ?
B7 B6 B2 B3 64.6(7) . . . . ?
B4 C2 C1 Si1 145.9(4) . . . . ?
B4 C2 C1 B9 -106.7(5) . . . . ?
B4 C2 C1 B10 -66.7(6) . . . . ?
B4 C2 C1 B1 39.4(5) . . . . ?
B4 C2 C1 B3 0.1(6) . . . . ?
B4 C2 B7 B9 141.1(5) . . . . ?
B4 C2 B7 B8 102.6(6) . . . . ?
B4 C2 B7 B6 40.0(5) . . . . ?
B4 C2 B9 C1 100.2(5) . . . . ?
B4 C2 B9 B7 -37.6(5) . . . . ?
B4 C2 B9 B10 62.9(6) . . . . ?
B4 C2 B9 B8 0.5(7) . . . . ?
B4 C2 B1 C1 -138.2(5) . . . . ?
B4 C2 B1 B3 -102.1(6) . . . . ?
B4 C2 B1 B2 -38.9(5) . . . . ?
B4 B7 B9 C2 33.8(5) . . . . ?
B4 B7 B9 C1 -3.2(7) . . . . ?
B4 B7 B9 B10 -64.7(6) . . . . ?
B4 B7 B9 B8 -101.8(6) . . . . ?
B4 B7 B8 B9 99.1(6) . . . . ?
B4 B7 B8 B10 61.5(7) . . . . ?
B4 B7 B8 B6 -38.4(5) . . . . ?
B4 B7 B8 B5 -1.5(7) . . . . ?
B4 B7 B6 B8 137.6(6) . . . . ?
B4 B7 B6 B5 100.4(6) . . . . ?
B4 B7 B6 B2 37.0(5) . . . . ?
B4 B1 B3 C1 -98.0(5) . . . . ?
B4 B1 B3 B10 -63.0(7) . . . . ?
B4 B1 B3 B5 0.0(7) . . . . ?
B4 B1 B3 B2 36.6(5) . . . . ?
B4 B1 B2 B6 -38.4(5) . . . . ?
B4 B1 B2 B5 -102.3(6) . . . . ?
B4 B1 B2 B3 -139.1(6) . . . . ?
B4 B6 B5 B10 63.9(7) . . . . ?
B4 B6 B5 B8 100.8(6) . . . . ?
B4 B6 B5 B3 1.1(7) . . . . ?
B4 B6 B5 B2 -36.4(5) . . . . ?
B4 B6 B2 B1 38.5(5) . . . . ?
B4 B6 B2 B5 139.1(6) . . . . ?
B4 B6 B2 B3 101.8(6) . . . . ?
B9 C2 C1 Si1 -107.4(5) . . . . ?
B9 C2 C1 B10 40.0(5) . . . . ?
B9 C2 C1 B1 146.1(5) . . . . ?
B9 C2 C1 B3 106.8(6) . . . . ?
B9 C2 B7 B4 -141.1(5) . . . . ?
B9 C2 B7 B8 -38.6(5) . . . . ?
B9 C2 B7 B6 -101.1(6) . . . . ?
B9 C2 B4 B7 37.9(5) . . . . ?
B9 C2 B4 B1 -102.5(5) . . . . ?
B9 C2 B4 B6 -1.2(7) . . . . ?
B9 C2 B4 B2 -63.3(6) . . . . ?
B9 C2 B1 C1 -30.9(5) . . . . ?
B9 C2 B1 B4 107.3(5) . . . . ?
B9 C2 B1 B3 5.2(7) . . . . ?
B9 C2 B1 B2 68.3(6) . . . . ?
B9 C1 B10 B8 39.5(5) . . . . ?
B9 C1 B10 B5 103.0(6) . . . . ?
B9 C1 B10 B3 142.8(6) . . . . ?
B9 C1 B1 C2 32.0(5) . . . . ?
B9 C1 B1 B4 -4.1(7) . . . . ?
B9 C1 B1 B3 -106.3(6) . . . . ?
B9 C1 B1 B2 -66.3(6) . . . . ?
B9 C1 B3 B10 -35.9(5) . . . . ?
B9 C1 B3 B1 104.6(6) . . . . ?
B9 C1 B3 B5 3.1(7) . . . . ?
B9 C1 B3 B2 65.1(6) . . . . ?
B9 B7 B4 C2 -34.1(5) . . . . ?
B9 B7 B4 B1 0.9(7) . . . . ?
B9 B7 B4 B6 100.7(6) . . . . ?
B9 B7 B4 B2 63.8(6) . . . . ?
B9 B7 B8 B10 -37.5(5) . . . . ?
B9 B7 B8 B6 -137.5(6) . . . . ?
B9 B7 B8 B5 -100.5(6) . . . . ?
B9 B7 B6 B4 -100.0(5) . . . . ?
B9 B7 B6 B8 37.5(5) . . . . ?
B9 B7 B6 B5 0.4(7) . . . . ?
B9 B7 B6 B2 -63.1(6) . . . . ?
B9 B10 B8 B7 38.4(5) . . . . ?
B9 B10 B8 B6 101.7(6) . . . . ?
B9 B10 B8 B5 138.8(5) . . . . ?
B9 B10 B5 B8 -37.3(5) . . . . ?
B9 B10 B5 B6 -0.7(7) . . . . ?
B9 B10 B5 B3 100.7(6) . . . . ?
B9 B10 B5 B2 62.4(7) . . . . ?
B9 B10 B3 C1 33.1(5) . . . . ?
B9 B10 B3 B1 -1.8(7) . . . . ?
B9 B10 B3 B5 -102.3(6) . . . . ?
B9 B10 B3 B2 -64.5(7) . . . . ?
B9 B8 B6 B7 -39.0(5) . . . . ?
B9 B8 B6 B4 -1.1(7) . . . . ?
B9 B8 B6 B5 100.0(6) . . . . ?
B9 B8 B6 B2 61.9(7) . . . . ?
B9 B8 B5 B10 36.7(5) . . . . ?
B9 B8 B5 B6 -102.0(6) . . . . ?
B9 B8 B5 B3 -0.5(7) . . . . ?
B9 B8 B5 B2 -64.1(7) . . . . ?
B10 C1 B9 C2 -137.0(5) . . . . ?
B10 C1 B9 B7 -100.7(6) . . . . ?
B10 C1 B9 B8 -39.3(5) . . . . ?
B10 C1 B1 C2 100.5(5) . . . . ?
B10 C1 B1 B4 64.4(6) . . . . ?
B10 C1 B1 B3 -37.8(5) . . . . ?
B10 C1 B1 B2 2.2(7) . . . . ?
B10 C1 B3 B1 140.5(5) . . . . ?
B10 C1 B3 B5 39.0(5) . . . . ?
B10 C1 B3 B2 101.0(6) . . . . ?
B10 B9 B8 B7 -138.3(6) . . . . ?
B10 B9 B8 B6 -100.2(6) . . . . ?
B10 B9 B8 B5 -36.5(5) . . . . ?
B10 B8 B6 B7 -102.3(6) . . . . ?
B10 B8 B6 B4 -64.4(7) . . . . ?
B10 B8 B6 B5 36.6(5) . . . . ?
B10 B8 B6 B2 -1.4(7) . . . . ?
B10 B8 B5 B6 -138.7(5) . . . . ?
B10 B8 B5 B3 -37.2(5) . . . . ?
B10 B8 B5 B2 -100.8(6) . . . . ?
B10 B5 B3 C1 -38.8(5) . . . . ?
B10 B5 B3 B1 -100.6(6) . . . . ?
B10 B5 B3 B2 -137.2(6) . . . . ?
B10 B5 B2 B4 -63.4(7) . . . . ?
B10 B5 B2 B1 1.0(8) . . . . ?
B10 B5 B2 B6 -100.6(6) . . . . ?
B10 B5 B2 B3 37.8(6) . . . . ?
B10 B3 B2 B4 64.0(7) . . . . ?
B10 B3 B2 B1 101.0(6) . . . . ?
B10 B3 B2 B6 -0.3(7) . . . . ?
B10 B3 B2 B5 -37.8(5) . . . . ?
B1 C2 C1 Si1 106.5(5) . . . . ?
B1 C2 C1 B9 -146.1(5) . . . . ?
B1 C2 C1 B10 -106.2(6) . . . . ?
B1 C2 C1 B3 -39.3(5) . . . . ?
B1 C2 B7 B4 -38.4(5) . . . . ?
B1 C2 B7 B9 102.7(6) . . . . ?
B1 C2 B7 B8 64.1(7) . . . . ?
B1 C2 B7 B6 1.6(7) . . . . ?
B1 C2 B4 B7 140.4(5) . . . . ?
B1 C2 B4 B6 101.3(5) . . . . ?
B1 C2 B4 B2 39.2(4) . . . . ?
B1 C2 B9 C1 31.1(5) . . . . ?
B1 C2 B9 B7 -106.8(6) . . . . ?
B1 C2 B9 B10 -6.3(7) . . . . ?
B1 C2 B9 B8 -68.6(6) . . . . ?
B1 C1 B9 C2 -31.7(5) . . . . ?
B1 C1 B9 B7 4.6(7) . . . . ?
B1 C1 B9 B10 105.3(6) . . . . ?
B1 C1 B9 B8 66.0(6) . . . . ?
B1 C1 B10 B9 -104.7(6) . . . . ?
B1 C1 B10 B8 -65.1(7) . . . . ?
B1 C1 B10 B5 -1.6(7) . . . . ?
B1 C1 B10 B3 38.1(5) . . . . ?
B1 C1 B3 B10 -140.5(5) . . . . ?
B1 C1 B3 B5 -101.5(6) . . . . ?
B1 C1 B3 B2 -39.5(5) . . . . ?
B1 B4 B6 B7 100.7(6) . . . . ?
B1 B4 B6 B8 62.8(7) . . . . ?
B1 B4 B6 B5 -1.1(7) . . . . ?
B1 B4 B6 B2 -37.7(5) . . . . ?
B1 B4 B2 B6 137.4(5) . . . . ?
B1 B4 B2 B5 100.4(6) . . . . ?
B1 B4 B2 B3 36.7(5) . . . . ?
B1 B3 B2 B4 -37.1(5) . . . . ?
B1 B3 B2 B6 -101.4(6) . . . . ?
B1 B3 B2 B5 -138.8(6) . . . . ?
B8 B7 B4 C2 -96.7(6) . . . . ?
B8 B7 B4 B1 -61.7(6) . . . . ?
B8 B7 B4 B6 38.1(5) . . . . ?
B8 B7 B4 B2 1.2(7) . . . . ?
B8 B7 B9 C2 135.6(6) . . . . ?
B8 B7 B9 C1 98.6(6) . . . . ?
B8 B7 B9 B10 37.1(5) . . . . ?
B8 B7 B6 B4 -137.6(6) . . . . ?
B8 B7 B6 B5 -37.1(5) . . . . ?
B8 B7 B6 B2 -100.6(6) . . . . ?
B8 B9 B10 C1 135.1(5) . . . . ?
B8 B9 B10 B5 37.5(5) . . . . ?
B8 B9 B10 B3 102.2(6) . . . . ?
B8 B10 B5 B6 36.6(5) . . . . ?
B8 B10 B5 B3 137.9(6) . . . . ?
B8 B10 B5 B2 99.7(6) . . . . ?
B8 B10 B3 C1 97.1(6) . . . . ?
B8 B10 B3 B1 62.2(7) . . . . ?
B8 B10 B3 B5 -38.3(5) . . . . ?
B8 B10 B3 B2 -0.6(7) . . . . ?
B8 B6 B5 B10 -36.8(5) . . . . ?
B8 B6 B5 B3 -99.6(6) . . . . ?
B8 B6 B5 B2 -137.2(5) . . . . ?
B8 B6 B2 B4 -100.7(6) . . . . ?
B8 B6 B2 B1 -62.3(7) . . . . ?
B8 B6 B2 B5 38.4(5) . . . . ?
B8 B6 B2 B3 1.1(7) . . . . ?
B8 B5 B3 C1 -1.5(7) . . . . ?
B8 B5 B3 B10 37.4(5) . . . . ?
B8 B5 B3 B1 -63.3(7) . . . . ?
B8 B5 B3 B2 -99.9(6) . . . . ?
B8 B5 B2 B4 -0.4(7) . . . . ?
B8 B5 B2 B1 64.0(7) . . . . ?
B8 B5 B2 B6 -37.6(5) . . . . ?
B8 B5 B2 B3 100.8(6) . . . . ?
B6 B7 B4 C2 -134.8(6) . . . . ?
B6 B7 B4 B1 -99.8(6) . . . . ?
B6 B7 B4 B2 -36.9(5) . . . . ?
B6 B7 B9 C2 97.7(6) . . . . ?
B6 B7 B9 C1 60.7(6) . . . . ?
B6 B7 B9 B10 -0.8(6) . . . . ?
B6 B7 B9 B8 -37.9(5) . . . . ?
B6 B7 B8 B9 137.5(6) . . . . ?
B6 B7 B8 B10 99.9(6) . . . . ?
B6 B7 B8 B5 36.9(5) . . . . ?
B6 B4 B1 C2 -97.4(5) . . . . ?
B6 B4 B1 C1 -60.4(6) . . . . ?
B6 B4 B1 B3 0.7(7) . . . . ?
B6 B4 B1 B2 37.7(5) . . . . ?
B6 B4 B2 B1 -137.4(5) . . . . ?
B6 B4 B2 B5 -37.0(5) . . . . ?
B6 B4 B2 B3 -100.8(6) . . . . ?
B6 B8 B5 B10 138.7(5) . . . . ?
B6 B8 B5 B3 101.5(6) . . . . ?
B6 B8 B5 B2 37.9(5) . . . . ?
B6 B5 B3 C1 61.1(7) . . . . ?
B6 B5 B3 B10 100.0(6) . . . . ?
B6 B5 B3 B1 -0.7(8) . . . . ?
B6 B5 B3 B2 -37.3(5) . . . . ?
B6 B5 B2 B4 37.2(5) . . . . ?
B6 B5 B2 B1 101.6(6) . . . . ?
B6 B5 B2 B3 138.3(6) . . . . ?
B5 B10 B8 B7 -100.4(6) . . . . ?
B5 B10 B8 B9 -138.8(5) . . . . ?
B5 B10 B8 B6 -37.1(5) . . . . ?
B5 B10 B3 C1 135.3(6) . . . . ?
B5 B10 B3 B1 100.4(6) . . . . ?
B5 B10 B3 B2 37.7(5) . . . . ?
B5 B8 B6 B7 -139.0(5) . . . . ?
B5 B8 B6 B4 -101.0(6) . . . . ?
B5 B8 B6 B2 -38.1(5) . . . . ?
B5 B6 B2 B4 -139.1(6) . . . . ?
B5 B6 B2 B1 -100.6(6) . . . . ?
B5 B6 B2 B3 -37.3(5) . . . . ?
B5 B3 B2 B4 101.7(6) . . . . ?
B5 B3 B2 B1 138.8(6) . . . . ?
B5 B3 B2 B6 37.4(5) . . . . ?
B3 C1 B9 C2 -101.1(6) . . . . ?
B3 C1 B9 B7 -64.8(6) . . . . ?
B3 C1 B9 B10 35.9(5) . . . . ?
B3 C1 B9 B8 -3.4(7) . . . . ?
B3 C1 B10 B9 -142.8(6) . . . . ?
B3 C1 B10 B8 -103.2(6) . . . . ?
B3 C1 B10 B5 -39.7(6) . . . . ?
B3 C1 B1 C2 138.2(5) . . . . ?
B3 C1 B1 B4 102.2(6) . . . . ?
B3 C1 B1 B2 40.0(5) . . . . ?
B3 B10 B8 B7 -62.1(7) . . . . ?
B3 B10 B8 B9 -100.5(6) . . . . ?
B3 B10 B8 B6 1.2(7) . . . . ?
B3 B10 B8 B5 38.3(5) . . . . ?
B3 B10 B5 B8 -137.9(6) . . . . ?
B3 B10 B5 B6 -101.4(6) . . . . ?
B3 B10 B5 B2 -38.3(6) . . . . ?
B3 B1 B2 B4 139.1(6) . . . . ?
B3 B1 B2 B6 100.7(6) . . . . ?
B3 B1 B2 B5 36.8(5) . . . . ?
B3 B5 B2 B4 -101.2(6) . . . . ?
B3 B5 B2 B1 -36.8(5) . . . . ?
B3 B5 B2 B6 -138.3(6) . . . . ?
B2 B4 B1 C2 -135.1(5) . . . . ?
B2 B4 B1 C1 -98.1(5) . . . . ?
B2 B4 B1 B3 -37.0(5) . . . . ?
B2 B4 B6 B7 138.4(6) . . . . ?
B2 B4 B6 B8 100.5(6) . . . . ?
B2 B4 B6 B5 36.6(5) . . . . ?
B2 B1 B3 C1 -134.6(5) . . . . ?
B2 B1 B3 B10 -99.5(6) . . . . ?
B2 B1 B3 B5 -36.6(5) . . . . ?
B2 B6 B5 B10 100.4(6) . . . . ?
B2 B6 B5 B8 137.2(5) . . . . ?
B2 B6 B5 B3 37.6(5) . . . . ?
B2 B5 B3 C1 98.4(6) . . . . ?
B2 B5 B3 B10 137.2(6) . . . . ?
B2 B5 B3 B1 36.6(5) . . . . ?
O6 S2 C35 F5 -62.5(11) . . . . ?
O6 S2 C35 F4 65.7(10) . . . . ?
O6 S2 C35 F6 -177.5(9) . . . . ?
Bi1A Si2 N3 C23 124.4(4) . . . . ?
Bi1A Si2 N3 C19 -44.3(8) . . . . ?
Bi1A Si2 N4 C30 56.6(8) . . . . ?
Bi1A Si2 N4 C23 -109.1(5) . . . . ?
Bi1A Si1 N1 C8 -123.0(4) . . . . ?
Bi1A Si1 N1 C4 52.9(8) . . . . ?
Bi1A Si1 N2 C8 110.7(5) . . . . ?
Bi1A Si1 N2 C15 -57.5(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_vrf_PLAT971_4                   
;
PROBLEM: Check Calcd Resid. Dens.  1.80Ang From Bi1             3.15 eA-3 

RESPONSE: Residual electron density was observed close to the center of 
the bismuth, which may be due to anharmonic displacement of the heavy 
metal atoms.
;
# start Validation Reply Form
_vrf_PLAT972_4                   
;
PROBLEM: Check Calcd Resid. Dens.  0.79Ang From Bi1            -3.31 eA-3  
PROBLEM: Check Calcd Resid. Dens.  1.02Ang From Bi1            -2.71 eA-3  
PROBLEM: Check Calcd Resid. Dens.  0.81Ang From Bi1            -2.66 eA-3  
PROBLEM: Check Calcd Resid. Dens.  0.42Ang From Bi2            -2.61 eA-3  

RESPONSE: Residual electron density was observed close to the center of 
the bismuth, which may be due to anharmonic displacement of the heavy 
metal atoms.
;
