# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_1
_audit_block_doi                 10.5517/ccdc.csd.cc21j2pc
_database_code_depnum_ccdc_archive 'CCDC 1892292'
loop_
_audit_author_name
_audit_author_address
'Lu Jian'
;Fujian Institute of Research on the Structure of Matter
China
;
_audit_update_record             
;
2019-05-06 deposited with the CCDC.	2019-08-27 downloaded from the CCDC.
;
_audit_creation_date             2018-12-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
#====================================================================================
# start Validation Reply Form

_vrf_PLAT910_1                   
;
RESPONSE:
The value of completeness to theta = 27.49?\~a is around 98.9% (very near to 100%),
and data/parameters is also high, besides the data redundancy is also high
enough.Under such conditions, the authentic structure model can be obtained
after reliable refinements.
;
# end Validation Reply Form
#====================================================================================

_shelx_SHELXL_version_number     2017/1
_chemical_name_common            '[(Hdma)Bi(1,4-ndc)2DMF]n,nDMF'
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26.98 H18.13 Bi N O9, C3 H7 N O, C2 H8 N'
_chemical_formula_sum            'C31.99 H33.12 Bi N3 O10'
_chemical_formula_weight         828.54
_chemical_melting_point          'not measured'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   11.5720(3)
_cell_length_b                   14.5866(3)
_cell_length_c                   20.1757(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.824(2)
_cell_angle_gamma                90
_cell_volume                     3355.64(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19339
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6410
_cell_measurement_theta_min      4.0590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.313
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.23b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
;
CrysAlisPro 1.171.39.23b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1636
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45802
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_min         3.735
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -85.00  93.00   0.50    1.72    --    3.70  45.00   0.00  356
  2  ω    -17.00  22.00   0.50    1.72    --    3.70  45.00  30.00   78
  3  ω    -84.00   1.00   0.50    1.72    --    3.70  45.00 150.00  170
  4  ω    -48.00 -23.00   0.50    1.72    --   -4.20  45.00   0.00   50
  5  ω    -10.00  78.00   0.50    1.72    --   -4.20  45.00  60.00  176
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0429969000
_diffrn_orient_matrix_UB_12      -0.0346740000
_diffrn_orient_matrix_UB_13      -0.0081287000
_diffrn_orient_matrix_UB_21      -0.0448741000
_diffrn_orient_matrix_UB_22      0.0335504000
_diffrn_orient_matrix_UB_23      -0.0022229000
_diffrn_orient_matrix_UB_31      0.0020387000
_diffrn_orient_matrix_UB_32      0.0060430000
_diffrn_orient_matrix_UB_33      -0.0346852000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6611
_reflns_number_total             7613
_reflns_odcompleteness_completeness 99.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 1.171.39.23b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.750
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         7613
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0232
_refine_ls_restrained_S_all      1.021
_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)+(0.0174P)²+3.4976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0453
_refine_ls_wR_factor_ref         0.0472
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(N1A)
Uanis(C26) = Uanis(C26A)
Uanis(C27) = Uanis(C27A)
3. Others
 Sof(H27A)=Sof(H27B)=Sof(H27C)=Sof(H26A)=Sof(H26B)=Sof(H26C)=FVAR(1)
 Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=Sof(N1A)=Sof(C26A)=Sof(H26D)=
 Sof(H26E)=Sof(H26F)=1-FVAR(2)
 Sof(N1)=FVAR(2)
 Sof(C27)=Sof(C26)=FVAR(3)
4.a Secondary CH2 refined with riding coordinates:
 N3(H3A,H3B)
4.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C19(H19), C10(H10), C16(H16), C22(H22), C7(H7), C23(H23), C4(H4),
 C17(H17), C6(H6), C5(H5), C18(H18), C28(H28)
4.c Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C31(H31A,H31B,
 H31C), C27(H27A,H27B,H27C), C26(H26A,H26B,H26C), C27A(H27D,H27E,H27F),
 C26A(H26D,H26E,H26F)
;
_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 -0.29927(2) 0.42744(2) 0.84052(2) 0.01915(4) Uani 1 1 d . . . . .
O9 O -0.29355(17) 0.20714(13) 0.40223(9) 0.0271(4) Uani 1 1 d . . . . .
O3 O -0.30910(18) 0.31829(13) 0.75676(9) 0.0312(5) Uani 1 1 d . . . . .
O7 O 0.49816(17) 0.37668(14) 0.83911(12) 0.0366(5) Uani 1 1 d . . . . .
O1 O -0.12896(18) 0.46879(17) 0.77379(11) 0.0429(5) Uani 1 1 d . . . . .
O4 O -0.3913(2) 0.44184(14) 0.70511(10) 0.0364(5) Uani 1 1 d . . . . .
O2 O -0.09957(18) 0.39532(16) 0.87082(12) 0.0415(5) Uani 1 1 d . . . . .
O8 O -0.2963(2) 0.08377(14) 0.46375(10) 0.0414(6) Uani 1 1 d . . . . .
O6 O 0.49608(19) 0.52638(15) 0.85395(14) 0.0460(6) Uani 1 1 d . . . . .
C1 C -0.0613(2) 0.4333(2) 0.82132(16) 0.0324(6) Uani 1 1 d . . . . .
C24 C -0.2972(2) 0.16901(19) 0.45865(13) 0.0259(6) Uani 1 1 d . . . . .
C12 C 0.4450(2) 0.4526(2) 0.84420(15) 0.0280(6) Uani 1 1 d . . . . .
C13 C -0.3471(2) 0.36464(19) 0.70354(13) 0.0262(6) Uani 1 1 d . . . . .
O10 O 0.1833(2) 0.1746(2) 0.82906(14) 0.0630(7) Uani 1 1 d . . . . .
C2 C 0.0687(2) 0.43478(19) 0.82465(15) 0.0296(6) Uani 1 1 d . . . . .
C9 C 0.3133(2) 0.44737(19) 0.83661(15) 0.0278(6) Uani 1 1 d . . . . .
C11 C 0.1378(3) 0.4531(2) 0.88526(16) 0.0339(7) Uani 1 1 d . . . . .
H11 H 0.102970 0.460745 0.923168 0.041 Uiso 1 1 calc R . . . .
C21 C -0.3070(2) 0.22606(19) 0.51945(13) 0.0258(6) Uani 1 1 d . . . . .
C20 C -0.2609(2) 0.31688(19) 0.53010(13) 0.0250(6) Uani 1 1 d . . . . .
C15 C -0.2760(2) 0.36461(19) 0.59022(13) 0.0252(6) Uani 1 1 d . . . . .
C8 C 0.2455(2) 0.4268(2) 0.77271(15) 0.0288(6) Uani 1 1 d . . . . .
C3 C 0.1211(2) 0.42181(19) 0.76590(15) 0.0279(6) Uani 1 1 d . . . . .
C19 C -0.1974(3) 0.3611(2) 0.48527(14) 0.0358(7) Uani 1 1 d . . . . .
H19 H -0.185371 0.330714 0.446490 0.043 Uiso 1 1 calc R . . . .
C10 C 0.2603(3) 0.4605(2) 0.89146(16) 0.0340(7) Uani 1 1 d . . . . .
H10 H 0.305400 0.474476 0.932948 0.041 Uiso 1 1 calc R . . . .
C16 C -0.2286(3) 0.4541(2) 0.60118(15) 0.0323(7) Uani 1 1 d . . . . .
H16 H -0.237952 0.485786 0.639906 0.039 Uiso 1 1 calc R . . . .
N2 N -0.0020(3) 0.1738(2) 0.76925(16) 0.0518(8) Uani 1 1 d . . . . .
C22 C -0.3639(3) 0.1864(2) 0.56643(14) 0.0339(7) Uani 1 1 d . . . . .
H22 H -0.395078 0.127856 0.558695 0.041 Uiso 1 1 calc R . . . .
C14 C -0.3345(2) 0.31913(19) 0.63803(13) 0.0266(6) Uani 1 1 d . . . . .
C7 C 0.2982(3) 0.4138(3) 0.71465(17) 0.0444(8) Uani 1 1 d . . . . .
H7 H 0.379232 0.417715 0.718201 0.053 Uiso 1 1 calc R . . . .
C23 C -0.3761(3) 0.2322(2) 0.62574(14) 0.0337(7) Uani 1 1 d . . . . .
H23 H -0.413245 0.202971 0.657282 0.040 Uiso 1 1 calc R . . . .
C4 C 0.0551(3) 0.4025(2) 0.70143(17) 0.0395(7) Uani 1 1 d . . . . .
H4 H -0.026240 0.398859 0.696009 0.047 Uiso 1 1 calc R . . . .
C17 C -0.1699(3) 0.4942(2) 0.55623(16) 0.0407(8) Uani 1 1 d . . . . .
H17 H -0.140265 0.553224 0.564117 0.049 Uiso 1 1 calc R . . . .
C6 C 0.2308(3) 0.3955(3) 0.65391(18) 0.0567(10) Uani 1 1 d . . . . .
H6 H 0.266174 0.387225 0.616281 0.068 Uiso 1 1 calc R . . . .
N3 N -0.4226(3) 0.6944(2) 0.66685(17) 0.0590(9) Uani 1 1 d . . . . .
H3A H -0.345412 0.690676 0.668617 0.071 Uiso 1 1 calc R . . . .
H3B H -0.443217 0.752689 0.658808 0.071 Uiso 1 1 calc R . . . .
C5 C 0.1092(3) 0.3893(3) 0.64766(18) 0.0528(9) Uani 1 1 d . . . . .
H5 H 0.064576 0.375812 0.605969 0.063 Uiso 1 1 calc R . . . .
C18 C -0.1535(3) 0.4471(2) 0.49772(17) 0.0436(8) Uani 1 1 d . . . . .
H18 H -0.112483 0.474910 0.467345 0.052 Uiso 1 1 calc R . . . .
N1 N -0.2099(14) 0.6916(12) 0.9721(8) 0.075(4) Uani 0.638(12) 1 d . . P A 1
C28 C 0.1136(4) 0.1749(3) 0.7752(2) 0.0553(10) Uani 1 1 d . . . . .
H28 H 0.145103 0.176009 0.735740 0.066 Uiso 1 1 calc R . . . .
C29 C -0.0584(4) 0.1679(3) 0.8277(3) 0.0744(13) Uani 1 1 d . . . . .
H29A H -0.090128 0.107493 0.830489 0.112 Uiso 1 1 calc GR . . . .
H29B H -0.120594 0.212178 0.823928 0.112 Uiso 1 1 calc GR . . . .
H29C H -0.002073 0.180171 0.867392 0.112 Uiso 1 1 calc GR . . . .
C25 C -0.2537(6) 0.6388(3) 0.9225(2) 0.0890(17) Uani 1 1 d . . . . .
C30 C -0.0766(4) 0.1749(3) 0.7039(3) 0.0802(15) Uani 1 1 d . . . . .
H30A H -0.121851 0.230419 0.699038 0.120 Uiso 1 1 calc GR . . . .
H30B H -0.128463 0.123092 0.699981 0.120 Uiso 1 1 calc GR . . . .
H30C H -0.028981 0.172015 0.669399 0.120 Uiso 1 1 calc GR . . . .
C32 C -0.4798(5) 0.6389(3) 0.6110(3) 0.0821(15) Uani 1 1 d . . . . .
H32A H -0.461414 0.662692 0.569665 0.123 Uiso 1 1 calc GR . . . .
H32B H -0.563194 0.640621 0.609445 0.123 Uiso 1 1 calc GR . . . .
H32C H -0.452742 0.576786 0.616946 0.123 Uiso 1 1 calc GR . . . .
C31 C -0.4496(6) 0.6689(3) 0.7317(3) 0.0927(18) Uani 1 1 d . . . . .
H31A H -0.533010 0.663160 0.728565 0.139 Uiso 1 1 calc GR . . . .
H31B H -0.420911 0.715254 0.764139 0.139 Uiso 1 1 calc GR . . . .
H31C H -0.412855 0.611406 0.745441 0.139 Uiso 1 1 calc GR . . . .
O5 O -0.2130(3) 0.5939(2) 0.88184(17) 0.0798(10) Uani 1 1 d . . . . .
C27 C -0.0863(13) 0.7052(10) 0.9837(7) 0.104(5) Uani 0.630(18) 1 d . . P A 1
H27A H -0.051221 0.665660 0.954671 0.157 Uiso 0.66(6) 1 calc GR . P B 1
H27B H -0.054901 0.691161 1.029764 0.157 Uiso 0.66(6) 1 calc GR . P B 1
H27C H -0.069326 0.767896 0.974564 0.157 Uiso 0.66(6) 1 calc GR . P B 1
C26 C -0.2765(15) 0.7442(8) 1.0108(6) 0.112(5) Uani 0.630(18) 1 d . . P A 1
H26A H -0.269508 0.808029 1.000596 0.167 Uiso 0.66(6) 1 calc GR . P B 1
H26B H -0.247910 0.734101 1.057771 0.167 Uiso 0.66(6) 1 calc GR . P B 1
H26C H -0.357381 0.726192 1.000398 0.167 Uiso 0.66(6) 1 calc GR . P B 1
C27A C -0.034(2) 0.6642(19) 0.9685(13) 0.104(5) Uani 0.362(12) 1 d . . P A 2
H27D H -0.024152 0.613620 0.939487 0.157 Uiso 0.362(12) 1 calc GR . P A 2
H27E H -0.001096 0.648467 1.014082 0.157 Uiso 0.362(12) 1 calc GR . P A 2
H27F H 0.005937 0.717023 0.955063 0.157 Uiso 0.362(12) 1 calc GR . P A 2
N1A N -0.165(3) 0.686(2) 0.9636(16) 0.075(4) Uani 0.362(12) 1 d . . P A 2
C26A C -0.175(3) 0.7473(13) 1.0165(10) 0.112(5) Uani 0.362(12) 1 d . . P A 2
H26D H -0.155043 0.807995 1.004012 0.167 Uiso 0.362(12) 1 calc GR . P A 2
H26E H -0.122544 0.728862 1.056457 0.167 Uiso 0.362(12) 1 calc GR . P A 2
H26F H -0.254078 0.746714 1.025012 0.167 Uiso 0.362(12) 1 calc GR . 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 O9 2.3195(18) 4_566 ?
Bi1 O3 2.3104(19) . ?
Bi1 O7 2.4538(19) 1_455 ?
Bi1 O1 2.639(2) . ?
Bi1 O2 2.335(2) . ?
Bi1 O8 2.486(2) 4_566 ?
Bi1 C1 2.847(3) . ?
Bi1 C24 2.764(3) 4_566 ?
Bi1 O5 2.703(3) . ?
O9 C24 1.274(3) . ?
O3 C13 1.282(3) . ?
O7 C12 1.279(3) . ?
O1 C1 1.242(4) . ?
O4 C13 1.239(3) . ?
O2 C1 1.285(4) . ?
O8 C24 1.247(3) . ?
O6 C12 1.228(3) . ?
C1 C2 1.494(4) . ?
C24 C21 1.502(4) . ?
C12 C9 1.507(4) . ?
C13 C14 1.508(4) . ?
O10 C28 1.238(5) . ?
C2 C11 1.369(4) . ?
C2 C3 1.433(4) . ?
C9 C8 1.422(4) . ?
C9 C10 1.367(4) . ?
C11 C10 1.406(4) . ?
C21 C20 1.431(4) . ?
C21 C22 1.371(4) . ?
C20 C15 1.435(4) . ?
C20 C19 1.414(4) . ?
C15 C16 1.418(4) . ?
C15 C14 1.432(4) . ?
C8 C3 1.424(4) . ?
C8 C7 1.423(4) . ?
C3 C4 1.420(4) . ?
C19 C18 1.361(4) . ?
C16 C17 1.355(4) . ?
N2 C28 1.324(5) . ?
N2 C29 1.444(5) . ?
N2 C30 1.447(5) . ?
C22 C23 1.398(4) . ?
C14 C23 1.364(4) . ?
C7 C6 1.362(5) . ?
C4 C5 1.356(5) . ?
C17 C18 1.406(5) . ?
C6 C5 1.394(5) . ?
N3 C32 1.452(6) . ?
N3 C31 1.444(5) . ?
N1 C25 1.296(17) . ?
N1 C27 1.42(2) . ?
N1 C26 1.414(17) . ?
C25 O5 1.206(6) . ?
C25 N1A 1.39(4) . ?
C27A N1A 1.53(4) . ?
N1A C26A 1.42(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
O9 Bi1 O7 71.97(7) 4_566 1_455 ?
O9 Bi1 O1 120.79(7) 4_566 . ?
O9 Bi1 O2 75.72(7) 4_566 . ?
O9 Bi1 O8 54.07(6) 4_566 4_566 ?
O9 Bi1 C1 99.15(8) 4_566 . ?
O9 Bi1 C24 27.27(7) 4_566 4_566 ?
O9 Bi1 O5 128.29(9) 4_566 . ?
O3 Bi1 O9 78.62(7) . 4_566 ?
O3 Bi1 O7 81.71(7) . 1_455 ?
O3 Bi1 O1 74.47(8) . . ?
O3 Bi1 O2 88.64(8) . . ?
O3 Bi1 O8 132.59(7) . 4_566 ?
O3 Bi1 C1 81.34(8) . . ?
O3 Bi1 C24 105.79(8) . 4_566 ?
O3 Bi1 O5 144.51(9) . . ?
O7 Bi1 O1 149.10(8) 1_455 . ?
O7 Bi1 O8 80.89(8) 1_455 4_566 ?
O7 Bi1 C1 162.15(8) 1_455 . ?
O7 Bi1 C24 73.99(8) 1_455 4_566 ?
O7 Bi1 O5 125.21(9) 1_455 . ?
O1 Bi1 C1 25.82(8) . . ?
O1 Bi1 C24 131.20(7) . 4_566 ?
O1 Bi1 O5 71.54(9) . . ?
O2 Bi1 O7 147.50(7) . 1_455 ?
O2 Bi1 O1 52.23(7) . . ?
O2 Bi1 O8 83.16(8) . 4_566 ?
O2 Bi1 C1 26.43(8) . . ?
O2 Bi1 C24 79.02(8) . 4_566 ?
O2 Bi1 O5 78.61(10) . . ?
O8 Bi1 O1 129.88(8) 4_566 . ?
O8 Bi1 C1 106.83(9) 4_566 . ?
O8 Bi1 C24 26.82(7) 4_566 4_566 ?
O8 Bi1 O5 79.01(9) 4_566 . ?
C24 Bi1 C1 105.45(8) 4_566 . ?
O5 Bi1 C1 72.53(10) . . ?
O5 Bi1 C24 104.06(10) . 4_566 ?
C24 O9 Bi1 96.19(16) . 4_565 ?
C13 O3 Bi1 102.49(16) . . ?
C12 O7 Bi1 102.11(16) . 1_655 ?
C1 O1 Bi1 86.45(17) . . ?
C1 O2 Bi1 99.59(17) . . ?
C24 O8 Bi1 89.12(16) . 4_565 ?
O1 C1 Bi1 67.73(16) . . ?
O1 C1 O2 121.6(3) . . ?
O1 C1 C2 121.7(3) . . ?
O2 C1 Bi1 53.98(14) . . ?
O2 C1 C2 116.6(3) . . ?
C2 C1 Bi1 169.7(2) . . ?
O9 C24 Bi1 56.54(13) . 4_565 ?
O9 C24 C21 120.4(2) . . ?
O8 C24 Bi1 64.06(15) . 4_565 ?
O8 C24 O9 120.5(2) . . ?
O8 C24 C21 119.0(2) . . ?
C21 C24 Bi1 174.31(19) . 4_565 ?
O7 C12 C9 116.1(2) . . ?
O6 C12 O7 123.1(3) . . ?
O6 C12 C9 120.8(3) . . ?
O3 C13 C14 115.6(2) . . ?
O4 C13 O3 122.8(2) . . ?
O4 C13 C14 121.6(2) . . ?
C11 C2 C1 118.2(3) . . ?
C11 C2 C3 120.0(3) . . ?
C3 C2 C1 121.7(3) . . ?
C8 C9 C12 119.6(3) . . ?
C10 C9 C12 119.7(3) . . ?
C10 C9 C8 120.6(3) . . ?
C2 C11 C10 121.4(3) . . ?
C20 C21 C24 123.9(2) . . ?
C22 C21 C24 116.3(3) . . ?
C22 C21 C20 119.8(2) . . ?
C21 C20 C15 118.7(2) . . ?
C19 C20 C21 123.2(2) . . ?
C19 C20 C15 118.1(3) . . ?
C16 C15 C20 118.6(2) . . ?
C16 C15 C14 122.4(2) . . ?
C14 C15 C20 119.0(2) . . ?
C9 C8 C3 119.4(3) . . ?
C9 C8 C7 121.8(3) . . ?
C7 C8 C3 118.8(3) . . ?
C8 C3 C2 118.5(3) . . ?
C4 C3 C2 123.1(3) . . ?
C4 C3 C8 118.4(3) . . ?
C18 C19 C20 121.4(3) . . ?
C9 C10 C11 120.1(3) . . ?
C17 C16 C15 121.2(3) . . ?
C28 N2 C29 121.2(4) . . ?
C28 N2 C30 121.3(4) . . ?
C29 N2 C30 117.5(4) . . ?
C21 C22 C23 121.4(3) . . ?
C15 C14 C13 120.9(2) . . ?
C23 C14 C13 119.0(2) . . ?
C23 C14 C15 120.1(2) . . ?
C6 C7 C8 120.4(3) . . ?
C14 C23 C22 121.0(3) . . ?
C5 C4 C3 120.7(3) . . ?
C16 C17 C18 120.3(3) . . ?
C7 C6 C5 120.6(3) . . ?
C31 N3 C32 114.8(4) . . ?
C4 C5 C6 121.0(3) . . ?
C19 C18 C17 120.4(3) . . ?
C25 N1 C27 117.4(11) . . ?
C25 N1 C26 124.8(13) . . ?
C26 N1 C27 117.4(14) . . ?
O10 C28 N2 125.2(4) . . ?
O5 C25 N1 134.5(9) . . ?
O5 C25 N1A 109.8(12) . . ?
C25 O5 Bi1 122.0(3) . . ?
C25 N1A C27A 124(2) . . ?
C25 N1A C26A 128(3) . . ?
C26A N1A C27A 107(3) . . ?

_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
;
_oxdiff_exptl_absorpt_empirical_full_max 2.339
_oxdiff_exptl_absorpt_empirical_full_min 0.734
