# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_Q1_a_sq
_audit_block_doi                 10.5517/ccdc.csd.cc2hyw6k
_database_code_depnum_ccdc_archive 'CCDC 2322619'
loop_
_audit_author_name
_audit_author_address
'Nilanjana Sen'
;Indian Institute of Science Education and Research
India
;
_audit_update_record             
;
2023-12-30 deposited with the CCDC.	2024-06-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H52 Bi2 F12 N4 Sb2'
_chemical_formula_weight         1382.23

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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   36.971(6)
_cell_length_b                   11.0199(18)
_cell_length_c                   21.471(4)
_cell_angle_alpha                90
_cell_angle_beta                 101.205(5)
_cell_angle_gamma                90
_cell_volume                     8581(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      28.18

_exptl_crystal_description       Hexagonal
_exptl_crystal_colour            Violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.140
_exptl_crystal_F_000             5184
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    9.504
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64711
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_av_R_equivalents  0.0766
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.123
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9829
_reflns_number_gt                8398
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9829
_refine_ls_number_parameters     483
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1317
_refine_ls_R_factor_gt           0.1193
_refine_ls_wR_factor_ref         0.3399
_refine_ls_wR_factor_gt          0.3342
_refine_ls_goodness_of_fit_ref   2.557
_refine_ls_restrained_S_all      2.557
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000

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 0.59760(2) 1.12397(7) 0.40765(3) 0.0335(10) Uani 1 1 d . . . . .
C1 C 0.6776(6) 0.331(2) 0.4485(9) 0.039(5) Uani 1 1 d . . . . .
H1 H 0.674222 0.409509 0.430161 0.047 Uiso 1 1 calc R U . . .
N1 N 0.5913(4) 1.0590(15) 0.4977(8) 0.034(4) Uani 1 1 d . . . . .
Sb1 Sb 0.64297(4) 1.77461(18) 0.33270(7) 0.0512(11) Uani 1 1 d . . . . .
F1 F 0.6909(4) 1.8085(13) 0.3740(8) 0.058(4) Uani 1 1 d . . . . .
Bi2 Bi 0.66015(2) 0.33953(7) 0.64345(3) 0.0349(10) Uani 1 1 d . . . . .
N2 N 0.5813(4) 1.2860(17) 0.4519(8) 0.036(4) Uani 1 1 d . . . . .
Sb2 Sb 0.61961(3) -0.31226(11) 0.72264(6) 0.0303(10) Uani 1 1 d . . . . .
F2 F 0.6471(6) 1.884(2) 0.2693(12) 0.119(10) Uani 1 1 d . . . . .
F3 F 0.6263(5) 1.8915(14) 0.3855(11) 0.083(6) Uani 1 1 d . . . . .
N3 N 0.6763(4) 0.1789(13) 0.6012(7) 0.029(3) Uani 1 1 d . . . . .
F4 F 0.5943(5) 1.746(2) 0.2940(9) 0.106(9) Uani 1 1 d . . . . .
N4 N 0.6669(4) 0.3991(13) 0.5530(7) 0.028(3) Uani 1 1 d . . . . .
F5 F 0.6620(6) 1.654(2) 0.2839(9) 0.096(7) Uani 1 1 d . . . . .
F6 F 0.6394(5) 1.6540(17) 0.3929(8) 0.070(4) Uani 1 1 d . . . . .
F7 F 0.5693(4) -0.3141(18) 0.6872(9) 0.073(5) Uani 1 1 d . . . . .
F8 F 0.6117(5) -0.1962(16) 0.7811(8) 0.075(5) Uani 1 1 d . . . . .
F9 F 0.6244(6) -0.1913(14) 0.6668(8) 0.073(5) Uani 1 1 d . . . . .
C00N C 0.6798(5) 0.1909(17) 0.5386(9) 0.031(4) Uani 1 1 d . . . . .
C00O C 0.6883(5) 0.0987(16) 0.5004(10) 0.032(4) Uani 1 1 d . . . . .
H00O H 0.692629 0.019494 0.517788 0.038 Uiso 1 1 calc R U . . .
C00P C 0.5756(5) 1.399(2) 0.4172(10) 0.042(5) Uani 1 1 d . . . . .
H00A H 0.592536 1.401365 0.386711 0.050 Uiso 1 1 calc R U . . .
H00B H 0.582268 1.466628 0.447406 0.050 Uiso 1 1 calc R U . . .
C00Q C 0.6855(5) 0.235(2) 0.4127(11) 0.042(5) Uani 1 1 d . . . . .
H00Q H 0.687454 0.248090 0.369770 0.050 Uiso 1 1 calc R U . . .
C00R C 0.5777(5) 1.2676(17) 0.5133(9) 0.033(4) Uani 1 1 d . . . . .
C00S C 0.6834(5) 0.0638(17) 0.6386(10) 0.036(4) Uani 1 1 d . . . . .
H00C H 0.677422 -0.005636 0.609170 0.043 Uiso 1 1 calc R U . . .
H00D H 0.666539 0.060510 0.669109 0.043 Uiso 1 1 calc R U . . .
C00U C 0.6745(4) 0.3139(14) 0.5125(9) 0.027(4) Uani 1 1 d . . . . .
C00V C 0.6907(5) 0.1172(17) 0.4391(9) 0.032(4) Uani 1 1 d . . . . .
H00V H 0.695804 0.051175 0.413672 0.039 Uiso 1 1 calc R U . . .
C00W C 0.5674(6) 1.339(2) 0.6156(10) 0.051(6) Uani 1 1 d . . . . .
H00W H 0.562600 1.402991 0.642729 0.061 Uiso 1 1 calc R U . . .
C00X C 0.5693(6) 1.362(2) 0.5539(11) 0.041(5) Uani 1 1 d . . . . .
H00X H 0.565036 1.442145 0.537646 0.049 Uiso 1 1 calc R U . . .
C00Z C 0.6979(5) 0.6044(14) 0.5514(9) 0.031(4) Uani 1 1 d . . . . .
C010 C 0.5357(6) 1.419(2) 0.3802(10) 0.046(5) Uani 1 1 d . . . . .
F10 F 0.6700(3) -0.3062(15) 0.7551(7) 0.058(4) Uani 1 1 d . . . . .
C011 C 0.7173(6) 0.584(3) 0.6215(9) 0.050(6) Uani 1 1 d . . . . .
H01A H 0.740301 0.630217 0.630486 0.075 Uiso 1 1 calc R U . . .
H01B H 0.722746 0.497188 0.628421 0.075 Uiso 1 1 calc R U . . .
H01C H 0.701015 0.610622 0.649760 0.075 Uiso 1 1 calc R U . . .
F11 F 0.6274(4) -0.4277(13) 0.6621(8) 0.059(4) Uani 1 1 d . . . . .
C012 C 0.5727(6) 1.221(2) 0.6382(13) 0.052(6) Uani 1 1 d . . . . .
H012 H 0.570650 1.204864 0.680917 0.062 Uiso 1 1 calc R U . . .
F12 F 0.6127(6) -0.4274(18) 0.7798(10) 0.095(7) Uani 1 1 d . . . . .
C013 C 0.5807(6) 1.1254(18) 0.6022(10) 0.040(5) Uani 1 1 d . . . . .
H013 H 0.584339 1.045756 0.619178 0.048 Uiso 1 1 calc R U . . .
C014 C 0.5334(5) 0.8860(19) 0.5436(11) 0.041(5) Uani 1 1 d . . . . .
H01D H 0.544683 0.861604 0.586958 0.062 Uiso 1 1 calc R U . . .
H01E H 0.509910 0.843119 0.530424 0.062 Uiso 1 1 calc R U . . .
H01F H 0.528942 0.973676 0.542448 0.062 Uiso 1 1 calc R U . . .
C015 C 0.6619(5) 0.5305(15) 0.5354(10) 0.033(4) Uani 1 1 d . . . . .
H01G H 0.643588 0.566270 0.558106 0.039 Uiso 1 1 calc R U . . .
H01H H 0.651903 0.536859 0.489322 0.039 Uiso 1 1 calc R U . . .
C016 C 0.5832(5) 1.150(2) 0.5399(10) 0.037(4) Uani 1 1 d . . . . .
C017 C 0.5414(6) 0.8686(19) 0.4324(11) 0.043(5) Uani 1 1 d . . . . .
H01I H 0.559631 0.852492 0.405712 0.065 Uiso 1 1 calc R U . . .
H01J H 0.532107 0.951593 0.424911 0.065 Uiso 1 1 calc R U . . .
H01K H 0.520952 0.811091 0.421678 0.065 Uiso 1 1 calc R U . . .
C018 C 0.7354(6) 0.1657(17) 0.7177(9) 0.038(5) Uani 1 1 d . . . . .
H01L H 0.758526 0.149071 0.747364 0.056 Uiso 1 1 calc R U . . .
H01M H 0.716175 0.186420 0.741606 0.056 Uiso 1 1 calc R U . . .
H01N H 0.738902 0.233731 0.690115 0.056 Uiso 1 1 calc R U . . .
C019 C 0.5239(6) 1.311(2) 0.3344(10) 0.042(5) Uani 1 1 d . . . . .
H01O H 0.500770 1.330830 0.305316 0.063 Uiso 1 1 calc R U . . .
H01P H 0.520190 1.238420 0.359036 0.063 Uiso 1 1 calc R U . . .
H01Q H 0.543122 1.294556 0.309919 0.063 Uiso 1 1 calc R U . . .
C01A C 0.7506(6) 0.0267(19) 0.6314(11) 0.041(5) Uani 1 1 d . . . . .
H01R H 0.775240 0.052535 0.652624 0.062 Uiso 1 1 calc R U . . .
H01S H 0.742932 0.073549 0.592202 0.062 Uiso 1 1 calc R U . . .
H01T H 0.750991 -0.059843 0.621032 0.062 Uiso 1 1 calc R U . . .
C01C C 0.7223(7) -0.061(2) 0.7198(12) 0.052(6) Uani 1 1 d . . . . .
H01U H 0.747543 -0.081543 0.740916 0.078 Uiso 1 1 calc R U . . .
H01V H 0.711227 -0.130914 0.694842 0.078 Uiso 1 1 calc R U . . .
H01W H 0.707689 -0.040848 0.751821 0.078 Uiso 1 1 calc R U . . .
C01D C 0.6853(6) 0.7409(17) 0.5465(10) 0.039(5) Uani 1 1 d . . . . .
H01X H 0.675766 0.761511 0.501906 0.058 Uiso 1 1 calc R U . . .
H01Y H 0.706354 0.793226 0.563340 0.058 Uiso 1 1 calc R U . . .
H01Z H 0.665871 0.753020 0.571102 0.058 Uiso 1 1 calc R U . . .
C01E C 0.5077(5) 1.434(2) 0.4227(11) 0.042(5) Uani 1 1 d . . . . .
H010 H 0.482768 1.433178 0.396799 0.063 Uiso 1 1 calc R U . . .
H011 H 0.511892 1.512159 0.445175 0.063 Uiso 1 1 calc R U . . .
H014 H 0.510347 1.368091 0.453667 0.063 Uiso 1 1 calc R U . . .
C01G C 0.7244(5) 0.5789(19) 0.5088(11) 0.041(5) Uani 1 1 d . . . . .
H015 H 0.712491 0.595688 0.464701 0.062 Uiso 1 1 calc R U . . .
H016 H 0.731829 0.493475 0.512842 0.062 Uiso 1 1 calc R U . . .
H017 H 0.746157 0.630701 0.520675 0.062 Uiso 1 1 calc R U . . .
C01H C 0.5954(5) 0.9343(18) 0.5152(10) 0.034(4) Uani 1 1 d . . . . .
H018 H 0.605077 0.929677 0.561524 0.040 Uiso 1 1 calc R U . . .
H019 H 0.614060 0.897790 0.493627 0.040 Uiso 1 1 calc R U . . .
C01I C 0.5589(7) 0.854(2) 0.4993(10) 0.043(5) Uani 1 1 d . . . . .
C01J C 0.5360(6) 1.530(2) 0.3396(11) 0.051(6) Uani 1 1 d . . . . .
H020 H 0.510553 1.553798 0.321891 0.076 Uiso 1 1 calc R U . . .
H021 H 0.548922 1.511459 0.305013 0.076 Uiso 1 1 calc R U . . .
H022 H 0.548611 1.595943 0.365531 0.076 Uiso 1 1 calc R U . . .
C01K C 0.7232(5) 0.0484(14) 0.6755(9) 0.030(4) Uani 1 1 d . . . . .
C01M C 0.5708(6) 0.7207(16) 0.5096(12) 0.044(5) Uani 1 1 d . . . . .
H023 H 0.588462 0.700801 0.482588 0.066 Uiso 1 1 calc R U . . .
H024 H 0.549084 0.668070 0.498552 0.066 Uiso 1 1 calc R U . . .
H025 H 0.582298 0.708085 0.554235 0.066 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 N1 2.116(16) . ?
Bi1 N2 2.163(18) . ?
C1 C00Q 1.37(3) . ?
C1 C00U 1.41(3) . ?
C1 H1 0.9500 . ?
N1 C016 1.42(3) . ?
N1 C01H 1.42(2) . ?
Sb1 F2 1.846(17) . ?
Sb1 F4 1.857(15) . ?
Sb1 F1 1.858(13) . ?
Sb1 F6 1.876(18) . ?
Sb1 F3 1.897(17) . ?
Sb1 F5 1.91(2) . ?
Bi2 N4 2.111(16) . ?
Bi2 N3 2.127(15) . ?
N2 C00R 1.37(3) . ?
N2 C00P 1.44(3) . ?
Sb2 F12 1.817(14) . ?
Sb2 F9 1.825(15) . ?
Sb2 F8 1.855(15) . ?
Sb2 F10 1.859(12) . ?
Sb2 F7 1.869(14) . ?
Sb2 F11 1.880(12) . ?
N3 C00N 1.38(2) . ?
N3 C00S 1.50(2) . ?
N4 C00U 1.35(2) . ?
N4 C015 1.50(2) . ?
C00N C00O 1.38(3) . ?
C00N C00U 1.47(2) . ?
C00O C00V 1.35(3) . ?
C00O H00O 0.9500 . ?
C00P C010 1.55(3) . ?
C00P H00A 0.9900 . ?
C00P H00B 0.9900 . ?
C00Q C00V 1.42(3) . ?
C00Q H00Q 0.9500 . ?
C00R C016 1.42(3) . ?
C00R C00X 1.43(3) . ?
C00S C01K 1.54(2) . ?
C00S H00C 0.9900 . ?
C00S H00D 0.9900 . ?
C00V H00V 0.9500 . ?
C00W C00X 1.36(3) . ?
C00W C012 1.40(4) . ?
C00W H00W 0.9500 . ?
C00X H00X 0.9500 . ?
C00Z C01G 1.49(3) . ?
C00Z C015 1.54(2) . ?
C00Z C011 1.55(3) . ?
C00Z C01D 1.57(2) . ?
C010 C01J 1.50(3) . ?
C010 C01E 1.52(3) . ?
C010 C019 1.55(3) . ?
C011 H01A 0.9800 . ?
C011 H01B 0.9800 . ?
C011 H01C 0.9800 . ?
C012 C013 1.37(3) . ?
C012 H012 0.9500 . ?
C013 C016 1.38(3) . ?
C013 H013 0.9500 . ?
C014 C01I 1.50(3) . ?
C014 H01D 0.9800 . ?
C014 H01E 0.9800 . ?
C014 H01F 0.9800 . ?
C015 H01G 0.9900 . ?
C015 H01H 0.9900 . ?
C017 C01I 1.46(3) . ?
C017 H01I 0.9800 . ?
C017 H01J 0.9800 . ?
C017 H01K 0.9800 . ?
C018 C01K 1.59(2) . ?
C018 H01L 0.9800 . ?
C018 H01M 0.9800 . ?
C018 H01N 0.9800 . ?
C019 H01O 0.9800 . ?
C019 H01P 0.9800 . ?
C019 H01Q 0.9800 . ?
C01A C01K 1.53(3) . ?
C01A H01R 0.9800 . ?
C01A H01S 0.9800 . ?
C01A H01T 0.9800 . ?
C01C C01K 1.54(3) . ?
C01C H01U 0.9800 . ?
C01C H01V 0.9800 . ?
C01C H01W 0.9800 . ?
C01D H01X 0.9800 . ?
C01D H01Y 0.9800 . ?
C01D H01Z 0.9800 . ?
C01E H010 0.9800 . ?
C01E H011 0.9800 . ?
C01E H014 0.9800 . ?
C01G H015 0.9800 . ?
C01G H016 0.9800 . ?
C01G H017 0.9800 . ?
C01H C01I 1.59(3) . ?
C01H H018 0.9900 . ?
C01H H019 0.9900 . ?
C01I C01M 1.54(3) . ?
C01J H020 0.9800 . ?
C01J H021 0.9800 . ?
C01J H022 0.9800 . ?
C01M H023 0.9800 . ?
C01M H024 0.9800 . ?
C01M H025 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
N1 Bi1 N2 77.8(7) . . ?
C00Q C1 C00U 121(2) . . ?
C00Q C1 H1 119.7 . . ?
C00U C1 H1 119.7 . . ?
C016 N1 C01H 122.3(17) . . ?
C016 N1 Bi1 114.8(13) . . ?
C01H N1 Bi1 123.0(14) . . ?
F2 Sb1 F4 89.7(8) . . ?
F2 Sb1 F1 90.7(8) . . ?
F4 Sb1 F1 177.3(10) . . ?
F2 Sb1 F6 175.7(11) . . ?
F4 Sb1 F6 89.6(7) . . ?
F1 Sb1 F6 90.1(7) . . ?
F2 Sb1 F3 94.6(12) . . ?
F4 Sb1 F3 89.1(11) . . ?
F1 Sb1 F3 88.2(8) . . ?
F6 Sb1 F3 89.7(8) . . ?
F2 Sb1 F5 87.6(12) . . ?
F4 Sb1 F5 93.6(11) . . ?
F1 Sb1 F5 89.1(8) . . ?
F6 Sb1 F5 88.2(9) . . ?
F3 Sb1 F5 176.6(10) . . ?
N4 Bi2 N3 76.9(6) . . ?
C00R N2 C00P 126.5(18) . . ?
C00R N2 Bi1 112.8(13) . . ?
C00P N2 Bi1 120.6(14) . . ?
F12 Sb2 F9 176.6(10) . . ?
F12 Sb2 F8 87.9(10) . . ?
F9 Sb2 F8 89.4(10) . . ?
F12 Sb2 F10 91.9(9) . . ?
F9 Sb2 F10 90.1(8) . . ?
F8 Sb2 F10 90.0(7) . . ?
F12 Sb2 F7 90.5(10) . . ?
F9 Sb2 F7 87.5(9) . . ?
F8 Sb2 F7 90.4(7) . . ?
F10 Sb2 F7 177.6(8) . . ?
F12 Sb2 F11 93.2(11) . . ?
F9 Sb2 F11 89.6(8) . . ?
F8 Sb2 F11 178.9(8) . . ?
F10 Sb2 F11 90.4(7) . . ?
F7 Sb2 F11 89.2(7) . . ?
C00N N3 C00S 124.3(16) . . ?
C00N N3 Bi2 115.0(12) . . ?
C00S N3 Bi2 120.7(13) . . ?
C00U N4 C015 122.8(16) . . ?
C00U N4 Bi2 117.1(12) . . ?
C015 N4 Bi2 120.1(12) . . ?
C00O C00N N3 125.7(17) . . ?
C00O C00N C00U 118.9(18) . . ?
N3 C00N C00U 115.4(16) . . ?
C00V C00O C00N 122.2(17) . . ?
C00V C00O H00O 118.9 . . ?
C00N C00O H00O 118.9 . . ?
N2 C00P C010 114.6(18) . . ?
N2 C00P H00A 108.6 . . ?
C010 C00P H00A 108.6 . . ?
N2 C00P H00B 108.6 . . ?
C010 C00P H00B 108.6 . . ?
H00A C00P H00B 107.6 . . ?
C1 C00Q C00V 121(2) . . ?
C1 C00Q H00Q 119.7 . . ?
C00V C00Q H00Q 119.7 . . ?
N2 C00R C016 119.5(19) . . ?
N2 C00R C00X 123.6(18) . . ?
C016 C00R C00X 116.9(19) . . ?
N3 C00S C01K 114.9(14) . . ?
N3 C00S H00C 108.5 . . ?
C01K C00S H00C 108.5 . . ?
N3 C00S H00D 108.5 . . ?
C01K C00S H00D 108.5 . . ?
H00C C00S H00D 107.5 . . ?
N4 C00U C1 127.1(17) . . ?
N4 C00U C00N 115.3(17) . . ?
C1 C00U C00N 117.7(17) . . ?
C00O C00V C00Q 119.9(19) . . ?
C00O C00V H00V 120.1 . . ?
C00Q C00V H00V 120.1 . . ?
C00X C00W C012 119(2) . . ?
C00X C00W H00W 120.7 . . ?
C012 C00W H00W 120.7 . . ?
C00W C00X C00R 121(2) . . ?
C00W C00X H00X 119.5 . . ?
C00R C00X H00X 119.5 . . ?
C01G C00Z C015 113.8(15) . . ?
C01G C00Z C011 109.5(17) . . ?
C015 C00Z C011 110.7(16) . . ?
C01G C00Z C01D 111.2(17) . . ?
C015 C00Z C01D 105.0(15) . . ?
C011 C00Z C01D 106.3(17) . . ?
C01J C010 C01E 110(2) . . ?
C01J C010 C00P 107.6(19) . . ?
C01E C010 C00P 113.7(18) . . ?
C01J C010 C019 106.8(18) . . ?
C01E C010 C019 109.0(19) . . ?
C00P C010 C019 109.8(19) . . ?
C00Z C011 H01A 109.5 . . ?
C00Z C011 H01B 109.5 . . ?
H01A C011 H01B 109.5 . . ?
C00Z C011 H01C 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C013 C012 C00W 124(2) . . ?
C013 C012 H012 118.2 . . ?
C00W C012 H012 118.2 . . ?
C012 C013 C016 117(2) . . ?
C012 C013 H013 121.3 . . ?
C016 C013 H013 121.3 . . ?
C01I C014 H01D 109.5 . . ?
C01I C014 H01E 109.5 . . ?
H01D C014 H01E 109.5 . . ?
C01I C014 H01F 109.5 . . ?
H01D C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
N4 C015 C00Z 113.4(14) . . ?
N4 C015 H01G 108.9 . . ?
C00Z C015 H01G 108.9 . . ?
N4 C015 H01H 108.9 . . ?
C00Z C015 H01H 108.9 . . ?
H01G C015 H01H 107.7 . . ?
C013 C016 C00R 122(2) . . ?
C013 C016 N1 122.8(19) . . ?
C00R C016 N1 114.8(18) . . ?
C01I C017 H01I 109.5 . . ?
C01I C017 H01J 109.5 . . ?
H01I C017 H01J 109.5 . . ?
C01I C017 H01K 109.5 . . ?
H01I C017 H01K 109.5 . . ?
H01J C017 H01K 109.5 . . ?
C01K C018 H01L 109.5 . . ?
C01K C018 H01M 109.5 . . ?
H01L C018 H01M 109.5 . . ?
C01K C018 H01N 109.5 . . ?
H01L C018 H01N 109.5 . . ?
H01M C018 H01N 109.5 . . ?
C010 C019 H01O 109.5 . . ?
C010 C019 H01P 109.5 . . ?
H01O C019 H01P 109.5 . . ?
C010 C019 H01Q 109.5 . . ?
H01O C019 H01Q 109.5 . . ?
H01P C019 H01Q 109.5 . . ?
C01K C01A H01R 109.5 . . ?
C01K C01A H01S 109.5 . . ?
H01R C01A H01S 109.5 . . ?
C01K C01A H01T 109.5 . . ?
H01R C01A H01T 109.5 . . ?
H01S C01A H01T 109.5 . . ?
C01K C01C H01U 109.5 . . ?
C01K C01C H01V 109.5 . . ?
H01U C01C H01V 109.5 . . ?
C01K C01C H01W 109.5 . . ?
H01U C01C H01W 109.5 . . ?
H01V C01C H01W 109.5 . . ?
C00Z C01D H01X 109.5 . . ?
C00Z C01D H01Y 109.5 . . ?
H01X C01D H01Y 109.5 . . ?
C00Z C01D H01Z 109.5 . . ?
H01X C01D H01Z 109.5 . . ?
H01Y C01D H01Z 109.5 . . ?
C010 C01E H010 109.5 . . ?
C010 C01E H011 109.5 . . ?
H010 C01E H011 109.5 . . ?
C010 C01E H014 109.5 . . ?
H010 C01E H014 109.5 . . ?
H011 C01E H014 109.5 . . ?
C00Z C01G H015 109.5 . . ?
C00Z C01G H016 109.5 . . ?
H015 C01G H016 109.5 . . ?
C00Z C01G H017 109.5 . . ?
H015 C01G H017 109.5 . . ?
H016 C01G H017 109.5 . . ?
N1 C01H C01I 115.8(15) . . ?
N1 C01H H018 108.3 . . ?
C01I C01H H018 108.3 . . ?
N1 C01H H019 108.3 . . ?
C01I C01H H019 108.3 . . ?
H018 C01H H019 107.4 . . ?
C017 C01I C014 113(2) . . ?
C017 C01I C01M 107.5(19) . . ?
C014 C01I C01M 109.0(17) . . ?
C017 C01I C01H 110.2(17) . . ?
C014 C01I C01H 110.2(18) . . ?
C01M C01I C01H 106.9(18) . . ?
C010 C01J H020 109.5 . . ?
C010 C01J H021 109.5 . . ?
H020 C01J H021 109.5 . . ?
C010 C01J H022 109.5 . . ?
H020 C01J H022 109.5 . . ?
H021 C01J H022 109.5 . . ?
C01A C01K C00S 112.2(17) . . ?
C01A C01K C01C 110.7(17) . . ?
C00S C01K C01C 105.8(15) . . ?
C01A C01K C018 109.3(16) . . ?
C00S C01K C018 109.9(15) . . ?
C01C C01K C018 108.8(17) . . ?
C01I C01M H023 109.5 . . ?
C01I C01M H024 109.5 . . ?
H023 C01M H024 109.5 . . ?
C01I C01M H025 109.5 . . ?
H023 C01M H025 109.5 . . ?
H024 C01M H025 109.5 . . ?

_refine_diff_density_max         0.282
_refine_diff_density_min         -0.045
_refine_diff_density_rms         0.007




# start Validation Reply Form
_vrf_PLAT342_Q1_a_sq             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02929 Ang.  
RESPONSE: Crystals diffracted extremely weak. Multiple attempts
were made to grow better diffracting crystals. All results were consistent with the model in this report, however, all yielded serious problems due to weak diffraction and disorder in the atom positions. 
;
# end Validation Reply Form
