# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_exp_1930_ywj_k7bi3cl16
_database_code_depnum_ccdc_archive 'CCDC 2303747'
loop_
_audit_author_name
_audit_author_address
jdfan
;Jinan University
China
;
_audit_update_record             
;
2023-10-26 deposited with the CCDC.	2024-03-12 downloaded from the CCDC.
;
_audit_creation_date             2023-05-23
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.06(Bi54 Cl288 K126)'
_chemical_formula_sum            'Bi3 Cl16 K7'
_chemical_formula_weight         1467.84
_chemical_melting_point          ?
_chemical_oxdiff_formula         'K Bi Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   12.8086(3)
_cell_length_b                   12.8086(3)
_cell_length_c                   100.294(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     14249.8(8)
_cell_formula_units_Z            18
_cell_measurement_reflns_used    5230
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.9500
_cell_measurement_theta_min      1.8750
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.897
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.09402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    3.079
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             11772
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       99
_diffrn_reflns_limit_l_min       -121
_diffrn_reflns_number            11973
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.159
_diffrn_reflns_theta_min         1.880
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     22.00  54.00   0.50   40.50    --  -15.91  32.00-143.00   64
  2  ω     -6.00  28.00   0.50   40.50    --   14.73  32.00-143.00   68
  3  ω     15.00  64.00   0.50   40.50    --   14.73-125.00  90.00   98
  4  ω     13.00  69.00   0.50   40.50    --   14.73-125.00 120.00  112
  5  ω    -46.00 -14.00   0.50   40.50    --  -15.91 -32.00  57.00   64
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0235913000
_diffrn_orient_matrix_UB_12      0.0025325000
_diffrn_orient_matrix_UB_13      -0.0063141000
_diffrn_orient_matrix_UB_21      -0.0577217000
_diffrn_orient_matrix_UB_22      -0.0471234000
_diffrn_orient_matrix_UB_23      0.0019547000
_diffrn_orient_matrix_UB_31      -0.0142005000
_diffrn_orient_matrix_UB_32      0.0431910000
_diffrn_orient_matrix_UB_33      0.0025103000
_diffrn_oxdiff_digest_frames     
;
01b0d99ba876a22e1fbc5e22878c9fef7601700e6bf
;
_diffrn_oxdiff_digest_hkl        
;
01e3c473650d06198ba813ec8fb0ea0e12553a
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2525
_reflns_number_total             3252
_reflns_odcompleteness_completeness 95.17
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_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         1.092
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       0.000069(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     121
_refine_ls_number_reflns         3252
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0403P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0757
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_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
Bi01 Bi 0.333333 0.666667 0.666667 0.02227(12) Uani 1 6 d S T P . .
Bi02 Bi 0.666667 0.333333 0.66930(2) 0.02406(11) Uani 1 3 d S T P . .
Bi03 Bi 0.67006(2) 0.66953(2) 0.72791(2) 0.02495(9) Uani 1 1 d . . . . .
K004 K 0.28074(13) 0.28074(13) 0.750000 0.0341(4) Uani 1 2 d S T P . .
K005 K 0.66722(10) 0.61920(11) 0.62851(2) 0.0372(3) Uani 1 1 d . . . . .
Cl00 Cl 0.81520(14) 0.81520(14) 0.750000 0.0351(5) Uani 1 2 d S T P . .
Cl07 Cl 0.55375(12) 0.79901(12) 0.72794(2) 0.0364(4) Uani 1 1 d . . . . .
Cl08 Cl 0.79867(11) 0.55398(11) 0.72856(2) 0.0351(3) Uani 1 1 d . . . . .
K09 K 0.333333 0.666667 0.74968(2) 0.0430(6) Uani 1 3 d S T P . .
K0A K 0.666667 0.333333 0.70803(2) 0.0444(6) Uani 1 3 d S T P . .
K0B K 0.333333 0.666667 0.70707(2) 0.0456(6) Uani 1 3 d S T P . .
Cl0C Cl 0.52323(14) 0.52323(14) 0.750000 0.0507(6) Uani 1 2 d S T P . .
Cl0D Cl 0.80402(13) 0.53135(13) 0.68519(2) 0.0467(4) Uani 1 1 d . . . . .
Cl0E Cl 0.53937(14) 0.53885(14) 0.70850(2) 0.0565(5) Uani 1 1 d . . . . .
Cl0F Cl 0.82062(13) 0.81908(13) 0.71121(2) 0.0560(5) Uani 1 1 d . . . . .
Cl0G Cl 0.50257(13) 0.83343(14) 0.68262(2) 0.0559(5) Uani 1 1 d . . . . .
Cl0H Cl 0.61331(15) 0.47200(14) 0.65502(2) 0.0554(5) Uani 1 1 d . . . . .
K0I K 0.65577(13) 0.66103(12) 0.67844(2) 0.0658(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Bi01 K0B 4.052(2) 25_566 ?
Bi01 K0B 4.053(2) . ?
Bi01 Cl0G 2.6813(14) 25_566 ?
Bi01 Cl0G 2.6814(14) 3_565 ?
Bi01 Cl0G 2.6814(14) 2_665 ?
Bi01 Cl0G 2.6816(14) . ?
Bi01 Cl0G 2.6812(14) 26_456 ?
Bi01 Cl0G 2.6814(14) 27_556 ?
Bi01 K0I 4.3304(15) 2_665 ?
Bi01 K0I 4.3306(15) 25_566 ?
Bi01 K0I 4.3304(15) 3_565 ?
Bi01 K0I 4.3305(15) . ?
Bi02 K0A 3.885(2) . ?
Bi02 Cl0D 2.7581(14) 3_665 ?
Bi02 Cl0D 2.7583(14) . ?
Bi02 Cl0D 2.7581(14) 2_655 ?
Bi02 Cl0H 2.6240(15) 2_655 ?
Bi02 Cl0H 2.6240(15) 3_665 ?
Bi02 Cl0H 2.6241(14) . ?
Bi02 K0I 4.3660(13) 3_665 ?
Bi02 K0I 4.3660(14) 2_655 ?
Bi02 K0I 4.3662(13) . ?
Bi03 Cl00 2.8942(12) . ?
Bi03 Cl07 2.7278(12) . ?
Bi03 Cl08 2.7103(12) . ?
Bi03 Cl0C 2.9038(13) . ?
Bi03 Cl0E 2.5673(15) . ?
Bi03 Cl0F 2.5494(14) . ?
K004 K005 4.5308(13) 26_456 ?
K004 K005 4.5307(13) 35_545 ?
K004 Cl00 3.1657(13) 2_655 ?
K004 Cl00 3.1657(13) 3_565 ?
K004 Cl07 3.2495(14) 3_565 ?
K004 Cl07 3.2495(14) 6_656 ?
K004 Cl08 3.2088(14) 5_566 ?
K004 Cl08 3.2088(14) 2_655 ?
K004 K09 4.6433(10) . ?
K004 K09 4.6433(10) 4_556 ?
K004 Cl0C 3.106(2) . ?
K005 Cl07 3.3113(18) 26_456 ?
K005 Cl08 3.3483(19) 25_666 ?
K005 K0A 4.6121(12) 25_666 ?
K005 K0B 4.6163(12) 25_566 ?
K005 Cl0D 3.1250(18) 25_666 ?
K005 Cl0E 3.268(2) 27_556 ?
K005 Cl0F 3.288(2) 26_456 ?
K005 Cl0F 3.247(2) 25_666 ?
K005 Cl0G 3.3334(19) 26_456 ?
K005 Cl0H 3.131(2) . ?
K005 K0I 4.817(2) 26_456 ?
Cl07 K09 3.2884(19) . ?
Cl07 K0B 3.230(2) . ?
Cl08 K09 3.2911(18) 4_556 ?
Cl08 K0A 3.2105(19) . ?
K09 K0A 4.242(3) 4_556 ?
K09 K0B 4.273(3) . ?
K09 Cl0C 3.7096(2) 2_665 ?
K09 Cl0C 3.70962(17) . ?
K09 Cl0C 3.7096(2) 3_565 ?
K0A Cl0D 3.211(2) 3_665 ?
K0A Cl0D 3.211(2) . ?
K0A Cl0D 3.211(2) 2_655 ?
K0A Cl0E 3.7260(17) 3_665 ?
K0A Cl0E 3.7260(18) 2_655 ?
K0A Cl0E 3.7260(17) . ?
K0B Cl0E 3.7397(17) 2_665 ?
K0B Cl0E 3.7397(18) 3_565 ?
K0B Cl0E 3.7397(17) . ?
K0B Cl0G 3.263(2) . ?
K0B Cl0G 3.263(2) 3_565 ?
K0B Cl0G 3.263(2) 2_665 ?
Cl0D K0I 3.159(2) . ?
Cl0E K0I 3.381(3) . ?
Cl0G K0I 3.628(2) 2_665 ?
Cl0G K0I 3.638(2) . ?
Cl0G K0I 3.434(3) 27_556 ?
Cl0H K0I 3.170(2) 26_456 ?
Cl0H K0I 3.218(2) . ?
K0I K0I 4.789(3) 26_456 ?
K0I K0I 4.789(3) 27_556 ?

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
K0B Bi01 K0B 180.0 . 25_566 ?
K0B Bi01 K0I 105.81(3) 25_566 3_565 ?
K0B Bi01 K0I 105.82(3) 25_566 . ?
K0B Bi01 K0I 74.19(3) . 2_665 ?
K0B Bi01 K0I 74.18(3) . . ?
K0B Bi01 K0I 105.81(3) 25_566 2_665 ?
K0B Bi01 K0I 105.82(3) . 25_566 ?
K0B Bi01 K0I 74.19(3) . 3_565 ?
K0B Bi01 K0I 74.18(3) 25_566 25_566 ?
Cl0G Bi01 K0B 53.38(3) 2_665 . ?
Cl0G Bi01 K0B 53.38(3) 26_456 25_566 ?
Cl0G Bi01 K0B 126.62(3) 3_565 25_566 ?
Cl0G Bi01 K0B 53.38(3) 3_565 . ?
Cl0G Bi01 K0B 53.38(3) 27_556 25_566 ?
Cl0G Bi01 K0B 53.37(4) . . ?
Cl0G Bi01 K0B 126.63(3) . 25_566 ?
Cl0G Bi01 K0B 126.62(3) 26_456 . ?
Cl0G Bi01 K0B 53.38(3) 25_566 25_566 ?
Cl0G Bi01 K0B 126.62(3) 25_566 . ?
Cl0G Bi01 K0B 126.62(3) 27_556 . ?
Cl0G Bi01 K0B 126.62(3) 2_665 25_566 ?
Cl0G Bi01 Cl0G 91.93(5) 2_665 25_566 ?
Cl0G Bi01 Cl0G 88.06(5) 3_565 . ?
Cl0G Bi01 Cl0G 91.94(5) . 26_456 ?
Cl0G Bi01 Cl0G 88.07(5) 26_456 25_566 ?
Cl0G Bi01 Cl0G 180.0 2_665 26_456 ?
Cl0G Bi01 Cl0G 91.93(5) 2_665 27_556 ?
Cl0G Bi01 Cl0G 88.06(5) 2_665 . ?
Cl0G Bi01 Cl0G 180.0 3_565 27_556 ?
Cl0G Bi01 Cl0G 179.99(6) . 25_566 ?
Cl0G Bi01 Cl0G 91.94(5) . 27_556 ?
Cl0G Bi01 Cl0G 91.94(5) 3_565 26_456 ?
Cl0G Bi01 Cl0G 88.07(5) 26_456 27_556 ?
Cl0G Bi01 Cl0G 88.07(5) 25_566 27_556 ?
Cl0G Bi01 Cl0G 88.06(5) 2_665 3_565 ?
Cl0G Bi01 Cl0G 91.94(5) 3_565 25_566 ?
Cl0G Bi01 K0I 56.62(4) . 2_665 ?
Cl0G Bi01 K0I 52.45(5) 2_665 25_566 ?
Cl0G Bi01 K0I 123.18(4) 25_566 . ?
Cl0G Bi01 K0I 56.83(5) 3_565 3_565 ?
Cl0G Bi01 K0I 56.82(4) 25_566 25_566 ?
Cl0G Bi01 K0I 127.56(5) . 3_565 ?
Cl0G Bi01 K0I 56.61(5) 27_556 25_566 ?
Cl0G Bi01 K0I 123.38(5) 26_456 3_565 ?
Cl0G Bi01 K0I 123.18(4) . 25_566 ?
Cl0G Bi01 K0I 52.43(5) 25_566 3_565 ?
Cl0G Bi01 K0I 52.44(5) 26_456 . ?
Cl0G Bi01 K0I 123.17(5) 27_556 3_565 ?
Cl0G Bi01 K0I 123.38(5) 27_556 . ?
Cl0G Bi01 K0I 123.17(5) 26_456 2_665 ?
Cl0G Bi01 K0I 56.83(5) 2_665 2_665 ?
Cl0G Bi01 K0I 123.38(4) 25_566 2_665 ?
Cl0G Bi01 K0I 123.38(5) 3_565 25_566 ?
Cl0G Bi01 K0I 127.56(4) 2_665 . ?
Cl0G Bi01 K0I 127.56(5) 26_456 25_566 ?
Cl0G Bi01 K0I 56.62(5) 3_565 . ?
Cl0G Bi01 K0I 127.56(4) 3_565 2_665 ?
Cl0G Bi01 K0I 56.82(4) . . ?
Cl0G Bi01 K0I 52.43(5) 27_556 2_665 ?
Cl0G Bi01 K0I 56.62(5) 2_665 3_565 ?
K0I Bi01 K0I 112.87(3) 2_665 3_565 ?
K0I Bi01 K0I 112.87(3) 3_565 . ?
K0I Bi01 K0I 180.0 . 25_566 ?
K0I Bi01 K0I 67.14(3) 2_665 25_566 ?
K0I Bi01 K0I 67.14(3) 3_565 25_566 ?
K0I Bi01 K0I 112.86(3) 2_665 . ?
K0A Bi02 K0I 77.88(3) . . ?
K0A Bi02 K0I 77.88(3) . 2_655 ?
K0A Bi02 K0I 77.88(3) . 3_665 ?
Cl0D Bi02 K0A 54.69(3) 3_665 . ?
Cl0D Bi02 K0A 54.69(3) . . ?
Cl0D Bi02 K0A 54.69(3) 2_655 . ?
Cl0D Bi02 Cl0D 89.93(5) 2_655 . ?
Cl0D Bi02 Cl0D 89.93(5) 3_665 . ?
Cl0D Bi02 Cl0D 89.93(5) 3_665 2_655 ?
Cl0D Bi02 K0I 46.13(4) . . ?
Cl0D Bi02 K0I 130.27(5) . 2_655 ?
Cl0D Bi02 K0I 46.13(4) 2_655 2_655 ?
Cl0D Bi02 K0I 130.27(5) 3_665 . ?
Cl0D Bi02 K0I 71.49(4) 3_665 2_655 ?
Cl0D Bi02 K0I 71.49(4) 2_655 . ?
Cl0D Bi02 K0I 71.49(4) . 3_665 ?
Cl0D Bi02 K0I 130.28(5) 2_655 3_665 ?
Cl0D Bi02 K0I 46.13(4) 3_665 3_665 ?
Cl0H Bi02 K0A 123.07(4) 3_665 . ?
Cl0H Bi02 K0A 123.07(4) . . ?
Cl0H Bi02 K0A 123.07(4) 2_655 . ?
Cl0H Bi02 Cl0D 177.31(5) 2_655 . ?
Cl0H Bi02 Cl0D 89.54(5) 3_665 . ?
Cl0H Bi02 Cl0D 87.43(5) 2_655 2_655 ?
Cl0H Bi02 Cl0D 87.44(5) . . ?
Cl0H Bi02 Cl0D 177.32(5) 3_665 2_655 ?
Cl0H Bi02 Cl0D 87.43(5) 3_665 3_665 ?
Cl0H Bi02 Cl0D 89.54(5) . 2_655 ?
Cl0H Bi02 Cl0D 89.54(5) 2_655 3_665 ?
Cl0H Bi02 Cl0D 177.32(5) . 3_665 ?
Cl0H Bi02 Cl0H 93.06(5) 2_655 . ?
Cl0H Bi02 Cl0H 93.06(5) 3_665 2_655 ?
Cl0H Bi02 Cl0H 93.06(5) 3_665 . ?
Cl0H Bi02 K0I 109.91(4) 2_655 3_665 ?
Cl0H Bi02 K0I 47.12(5) 3_665 3_665 ?
Cl0H Bi02 K0I 47.12(5) 2_655 2_655 ?
Cl0H Bi02 K0I 133.13(5) . 3_665 ?
Cl0H Bi02 K0I 133.13(4) 3_665 2_655 ?
Cl0H Bi02 K0I 109.91(4) 3_665 . ?
Cl0H Bi02 K0I 109.91(5) . 2_655 ?
Cl0H Bi02 K0I 133.13(4) 2_655 . ?
Cl0H Bi02 K0I 47.12(5) . . ?
K0I Bi02 K0I 115.71(2) 3_665 . ?
K0I Bi02 K0I 115.72(2) 3_665 2_655 ?
K0I Bi02 K0I 115.71(2) 2_655 . ?
Cl00 Bi03 Cl0C 80.33(4) . . ?
Cl07 Bi03 Cl00 88.70(3) . . ?
Cl07 Bi03 Cl0C 90.99(3) . . ?
Cl08 Bi03 Cl00 87.93(3) . . ?
Cl08 Bi03 Cl07 176.19(5) . . ?
Cl08 Bi03 Cl0C 90.21(3) . . ?
Cl0E Bi03 Cl00 179.35(5) . . ?
Cl0E Bi03 Cl07 91.19(5) . . ?
Cl0E Bi03 Cl08 92.20(5) . . ?
Cl0E Bi03 Cl0C 99.03(5) . . ?
Cl0F Bi03 Cl00 91.02(5) . . ?
Cl0F Bi03 Cl07 88.95(5) . . ?
Cl0F Bi03 Cl08 89.32(5) . . ?
Cl0F Bi03 Cl0C 171.35(5) . . ?
Cl0F Bi03 Cl0E 89.62(6) . . ?
K005 K004 K005 178.43(6) 35_545 26_456 ?
K005 K004 K09 89.19(3) 26_456 . ?
K005 K004 K09 89.86(3) 35_545 . ?
K005 K004 K09 89.19(3) 35_545 4_556 ?
K005 K004 K09 89.86(3) 26_456 4_556 ?
Cl00 K004 K005 90.55(2) 3_565 35_545 ?
Cl00 K004 K005 90.65(2) 2_655 35_545 ?
Cl00 K004 K005 90.55(2) 2_655 26_456 ?
Cl00 K004 K005 90.65(2) 3_565 26_456 ?
Cl00 K004 Cl00 80.71(8) 3_565 2_655 ?
Cl00 K004 Cl07 75.58(3) 3_565 3_565 ?
Cl00 K004 Cl07 129.76(4) 2_655 3_565 ?
Cl00 K004 Cl07 129.76(4) 3_565 6_656 ?
Cl00 K004 Cl07 75.58(3) 2_655 6_656 ?
Cl00 K004 Cl08 130.33(4) 2_655 5_566 ?
Cl00 K004 Cl08 75.28(3) 2_655 2_655 ?
Cl00 K004 Cl08 130.33(4) 3_565 2_655 ?
Cl00 K004 Cl08 75.28(3) 3_565 5_566 ?
Cl00 K004 K09 86.86(3) 3_565 . ?
Cl00 K004 K09 86.86(3) 2_655 4_556 ?
Cl00 K004 K09 167.57(5) 2_655 . ?
Cl00 K004 K09 167.57(5) 3_565 4_556 ?
Cl07 K004 K005 46.89(3) 6_656 35_545 ?
Cl07 K004 K005 132.56(3) 3_565 35_545 ?
Cl07 K004 K005 132.56(3) 6_656 26_456 ?
Cl07 K004 K005 46.89(3) 3_565 26_456 ?
Cl07 K004 Cl07 150.30(8) 6_656 3_565 ?
Cl07 K004 K09 45.08(4) 6_656 4_556 ?
Cl07 K004 K09 113.33(4) 3_565 4_556 ?
Cl07 K004 K09 113.33(4) 6_656 . ?
Cl07 K004 K09 45.08(4) 3_565 . ?
Cl08 K004 K005 131.87(3) 2_655 35_545 ?
Cl08 K004 K005 47.58(3) 5_566 35_545 ?
Cl08 K004 K005 131.87(3) 5_566 26_456 ?
Cl08 K004 K005 47.58(3) 2_655 26_456 ?
Cl08 K004 Cl07 87.43(4) 5_566 6_656 ?
Cl08 K004 Cl07 87.43(4) 2_655 3_565 ?
Cl08 K004 Cl07 84.99(4) 2_655 6_656 ?
Cl08 K004 Cl07 84.99(4) 5_566 3_565 ?
Cl08 K004 Cl08 150.11(7) 5_566 2_655 ?
Cl08 K004 K09 45.12(3) 5_566 . ?
Cl08 K004 K09 113.18(4) 2_655 . ?
Cl08 K004 K09 45.12(3) 2_655 4_556 ?
Cl08 K004 K09 113.18(4) 5_566 4_556 ?
K09 K004 K09 105.57(3) . 4_556 ?
Cl0C K004 K005 89.21(3) . 26_456 ?
Cl0C K004 K005 89.21(3) . 35_545 ?
Cl0C K004 Cl00 139.64(4) . 3_565 ?
Cl0C K004 Cl00 139.64(4) . 2_655 ?
Cl0C K004 Cl07 75.15(4) . 3_565 ?
Cl0C K004 Cl07 75.15(4) . 6_656 ?
Cl0C K004 Cl08 75.05(4) . 5_566 ?
Cl0C K004 Cl08 75.05(4) . 2_655 ?
Cl0C K004 K09 52.783(17) . 4_556 ?
Cl0C K004 K09 52.783(16) . . ?
K004 K005 K0A 86.54(4) 27_556 25_666 ?
K004 K005 K0B 87.61(4) 27_556 25_566 ?
K004 K005 K0I 122.97(3) 27_556 26_456 ?
Cl07 K005 K004 45.76(3) 26_456 27_556 ?
Cl07 K005 Cl08 84.16(4) 26_456 25_666 ?
Cl07 K005 K0A 110.68(4) 26_456 25_666 ?
Cl07 K005 K0B 44.42(4) 26_456 25_566 ?
Cl07 K005 Cl0G 88.70(5) 26_456 26_456 ?
Cl07 K005 K0I 85.72(4) 26_456 26_456 ?
Cl08 K005 K004 45.03(3) 25_666 27_556 ?
Cl08 K005 K0A 44.11(4) 25_666 25_666 ?
Cl08 K005 K0B 111.29(4) 25_666 25_566 ?
Cl08 K005 K0I 167.95(5) 25_666 26_456 ?
K0A K005 K0B 106.53(3) 25_666 25_566 ?
K0A K005 K0I 147.09(4) 25_666 26_456 ?
K0B K005 K0I 64.84(3) 25_566 26_456 ?
Cl0D K005 K004 129.49(5) 25_666 27_556 ?
Cl0D K005 Cl07 145.93(6) 25_666 26_456 ?
Cl0D K005 Cl08 84.66(5) 25_666 25_666 ?
Cl0D K005 K0A 44.03(4) 25_666 25_666 ?
Cl0D K005 K0B 112.32(5) 25_666 25_566 ?
Cl0D K005 Cl0E 74.02(5) 25_666 27_556 ?
Cl0D K005 Cl0F 144.56(6) 25_666 26_456 ?
Cl0D K005 Cl0F 88.16(5) 25_666 25_666 ?
Cl0D K005 Cl0G 78.01(5) 25_666 26_456 ?
Cl0D K005 Cl0H 76.63(5) 25_666 . ?
Cl0D K005 K0I 107.39(5) 25_666 26_456 ?
Cl0E K005 K004 84.30(4) 27_556 27_556 ?
Cl0E K005 Cl07 71.92(5) 27_556 26_456 ?
Cl0E K005 Cl08 72.10(4) 27_556 25_666 ?
Cl0E K005 K0A 53.17(4) 27_556 25_666 ?
Cl0E K005 K0B 53.36(4) 27_556 25_566 ?
Cl0E K005 Cl0F 137.67(6) 27_556 26_456 ?
Cl0E K005 Cl0G 65.45(5) 27_556 26_456 ?
Cl0E K005 K0I 110.78(5) 27_556 26_456 ?
Cl0F K005 K004 78.06(4) 25_666 27_556 ?
Cl0F K005 K004 78.11(4) 26_456 27_556 ?
Cl0F K005 Cl07 116.93(6) 25_666 26_456 ?
Cl0F K005 Cl07 68.20(4) 26_456 26_456 ?
Cl0F K005 Cl08 68.21(4) 25_666 25_666 ?
Cl0F K005 Cl08 116.36(6) 26_456 25_666 ?
Cl0F K005 K0A 158.88(5) 26_456 25_666 ?
Cl0F K005 K0A 87.35(4) 25_666 25_666 ?
Cl0F K005 K0B 87.42(4) 26_456 25_566 ?
Cl0F K005 K0B 159.50(5) 25_666 25_566 ?
Cl0F K005 Cl0E 137.70(6) 25_666 27_556 ?
Cl0F K005 Cl0F 75.42(6) 25_666 26_456 ?
Cl0F K005 Cl0G 148.25(6) 25_666 26_456 ?
Cl0F K005 Cl0G 99.68(5) 26_456 26_456 ?
Cl0F K005 K0I 111.10(5) 25_666 26_456 ?
Cl0F K005 K0I 53.30(4) 26_456 26_456 ?
Cl0G K005 K004 132.40(5) 26_456 27_556 ?
Cl0G K005 Cl08 137.06(6) 26_456 25_666 ?
Cl0G K005 K0A 101.39(5) 26_456 25_666 ?
Cl0G K005 K0B 44.97(4) 26_456 25_566 ?
Cl0G K005 K0I 48.97(4) 26_456 26_456 ?
Cl0H K005 K004 147.38(5) . 27_556 ?
Cl0H K005 Cl07 125.46(5) . 26_456 ?
Cl0H K005 Cl08 147.49(5) . 25_666 ?
Cl0H K005 K0A 120.33(5) . 25_666 ?
Cl0H K005 K0B 100.42(5) . 25_566 ?
Cl0H K005 Cl0E 125.78(6) . 27_556 ?
Cl0H K005 Cl0F 70.82(5) . 26_456 ?
Cl0H K005 Cl0F 84.66(5) . 25_666 ?
Cl0H K005 Cl0G 64.48(5) . 26_456 ?
Cl0H K005 K0I 40.45(4) . 26_456 ?
Bi03 Cl00 Bi03 99.89(5) 4_556 . ?
Bi03 Cl00 K004 96.53(2) . 3_665 ?
Bi03 Cl00 K004 96.76(2) . 2_665 ?
Bi03 Cl00 K004 96.76(2) 4_556 3_665 ?
Bi03 Cl00 K004 96.53(2) 4_556 2_665 ?
K004 Cl00 K004 159.29(8) 3_665 2_665 ?
Bi03 Cl07 K004 98.28(5) . 2_665 ?
Bi03 Cl07 K005 99.04(4) . 27_556 ?
Bi03 Cl07 K09 106.04(4) . . ?
Bi03 Cl07 K0B 106.27(4) . . ?
K004 Cl07 K005 87.35(4) 2_665 27_556 ?
K004 Cl07 K09 90.50(5) 2_665 . ?
K09 Cl07 K005 154.88(5) . 27_556 ?
K0B Cl07 K004 155.44(5) . 2_665 ?
K0B Cl07 K005 89.76(5) . 27_556 ?
K0B Cl07 K09 81.91(5) . . ?
Bi03 Cl08 K004 99.39(5) . 3_665 ?
Bi03 Cl08 K005 97.98(4) . 25_666 ?
Bi03 Cl08 K09 107.06(4) . 4_556 ?
Bi03 Cl08 K0A 105.60(4) . . ?
K004 Cl08 K005 87.39(4) 3_665 25_666 ?
K004 Cl08 K09 91.17(4) 3_665 4_556 ?
K004 Cl08 K0A 155.00(5) 3_665 . ?
K09 Cl08 K005 154.82(5) 4_556 25_666 ?
K0A Cl08 K005 89.34(5) . 25_666 ?
K0A Cl08 K09 81.44(5) . 4_556 ?
Cl07 K09 K004 100.58(3) 3_565 3_565 ?
Cl07 K09 K004 44.41(2) 2_665 3_565 ?
Cl07 K09 K004 122.99(4) . 3_565 ?
Cl07 K09 Cl07 80.82(5) 2_665 3_565 ?
Cl07 K09 Cl07 80.82(5) 3_565 . ?
Cl07 K09 Cl07 80.82(5) 2_665 . ?
Cl07 K09 Cl08 135.94(3) 3_565 4_556 ?
Cl07 K09 Cl08 136.14(3) . 5_566 ?
Cl07 K09 Cl08 136.14(3) 3_565 6_666 ?
Cl07 K09 Cl08 83.08(3) . 4_556 ?
Cl07 K09 Cl08 83.08(3) 2_665 6_666 ?
Cl07 K09 Cl08 135.94(3) 2_665 5_566 ?
Cl07 K09 Cl08 136.14(3) 2_665 4_556 ?
Cl07 K09 Cl08 83.08(3) 3_565 5_566 ?
Cl07 K09 Cl08 135.95(3) . 6_666 ?
Cl07 K09 K0A 131.54(3) 2_665 4_556 ?
Cl07 K09 K0A 131.54(3) . 4_556 ?
Cl07 K09 K0A 131.54(3) 3_565 4_556 ?
Cl07 K09 K0B 48.46(3) 3_565 . ?
Cl07 K09 K0B 48.46(3) 2_665 . ?
Cl07 K09 K0B 48.46(3) . . ?
Cl07 K09 Cl0C 69.79(3) 2_665 2_665 ?
Cl07 K09 Cl0C 66.98(3) 2_665 3_565 ?
Cl07 K09 Cl0C 138.92(6) . 3_565 ?
Cl07 K09 Cl0C 66.98(3) 3_565 . ?
Cl07 K09 Cl0C 69.79(3) 3_565 3_565 ?
Cl07 K09 Cl0C 138.92(6) 3_565 2_665 ?
Cl07 K09 Cl0C 66.98(3) . 2_665 ?
Cl07 K09 Cl0C 138.92(6) 2_665 . ?
Cl07 K09 Cl0C 69.79(3) . . ?
Cl08 K09 K004 122.45(4) 4_556 3_565 ?
Cl08 K09 K004 99.94(3) 5_566 3_565 ?
Cl08 K09 K004 43.70(2) 6_666 3_565 ?
Cl08 K09 Cl08 80.81(5) 6_666 5_566 ?
Cl08 K09 Cl08 80.81(5) 6_666 4_556 ?
Cl08 K09 Cl08 80.81(5) 4_556 5_566 ?
Cl08 K09 K0A 48.46(3) 4_556 4_556 ?
Cl08 K09 K0A 48.46(3) 5_566 4_556 ?
Cl08 K09 K0A 48.46(3) 6_666 4_556 ?
Cl08 K09 K0B 131.54(3) 4_556 . ?
Cl08 K09 K0B 131.54(3) 5_566 . ?
Cl08 K09 K0B 131.54(3) 6_666 . ?
Cl08 K09 Cl0C 68.98(3) 4_556 . ?
Cl08 K09 Cl0C 137.93(6) 4_556 3_565 ?
Cl08 K09 Cl0C 66.36(3) 6_666 3_565 ?
Cl08 K09 Cl0C 68.98(3) 5_566 3_565 ?
Cl08 K09 Cl0C 137.93(6) 6_666 . ?
Cl08 K09 Cl0C 68.98(3) 6_666 2_665 ?
Cl08 K09 Cl0C 66.36(3) 5_566 . ?
Cl08 K09 Cl0C 66.36(3) 4_556 2_665 ?
Cl08 K09 Cl0C 137.93(6) 5_566 2_665 ?
K0A K09 K004 89.60(2) 4_556 3_565 ?
K0A K09 K0B 180.0 4_556 . ?
K0B K09 K004 90.40(2) . 3_565 ?
Cl0C K09 K004 41.82(3) 3_565 3_565 ?
Cl0C K09 K004 161.80(3) . 3_565 ?
Cl0C K09 K004 78.18(3) 2_665 3_565 ?
Cl0C K09 K0A 89.50(3) 2_665 4_556 ?
Cl0C K09 K0A 89.50(3) 3_565 4_556 ?
Cl0C K09 K0A 89.50(3) . 4_556 ?
Cl0C K09 K0B 90.50(3) 3_565 . ?
Cl0C K09 K0B 90.50(3) . . ?
Cl0C K09 K0B 90.50(3) 2_665 . ?
Cl0C K09 Cl0C 119.993(3) 2_665 . ?
Cl0C K09 Cl0C 119.992(3) 3_565 . ?
Cl0C K09 Cl0C 119.993(1) 2_665 3_565 ?
Bi02 K0A K005 86.01(3) . 27_546 ?
Bi02 K0A K09 180.0 . 4_556 ?
Cl08 K0A Bi02 129.90(4) 3_665 . ?
Cl08 K0A Bi02 129.89(4) . . ?
Cl08 K0A Bi02 129.90(4) 2_655 . ?
Cl08 K0A K005 102.61(3) 2_655 27_546 ?
Cl08 K0A K005 46.55(3) 3_665 27_546 ?
Cl08 K0A K005 127.11(5) . 27_546 ?
Cl08 K0A Cl08 83.28(6) 3_665 2_655 ?
Cl08 K0A Cl08 83.28(6) . 2_655 ?
Cl08 K0A Cl08 83.28(6) . 3_665 ?
Cl08 K0A K09 50.11(4) . 4_556 ?
Cl08 K0A K09 50.10(4) 2_655 4_556 ?
Cl08 K0A K09 50.10(4) 3_665 4_556 ?
Cl08 K0A Cl0D 85.57(3) 3_665 3_665 ?
Cl08 K0A Cl0D 85.57(4) . . ?
Cl08 K0A Cl0D 132.46(3) . 2_655 ?
Cl08 K0A Cl0D 132.46(3) 3_665 . ?
Cl08 K0A Cl0D 132.46(4) 2_655 3_665 ?
Cl08 K0A Cl0D 140.77(4) 3_665 2_655 ?
Cl08 K0A Cl0D 140.77(4) . 3_665 ?
Cl08 K0A Cl0D 85.57(3) 2_655 2_655 ?
Cl08 K0A Cl0D 140.77(4) 2_655 . ?
Cl08 K0A Cl0E 67.85(4) 3_665 2_655 ?
Cl08 K0A Cl0E 139.36(7) 3_665 . ?
Cl08 K0A Cl0E 139.36(7) 2_655 3_665 ?
Cl08 K0A Cl0E 66.03(3) 2_655 2_655 ?
Cl08 K0A Cl0E 66.03(3) 3_665 3_665 ?
Cl08 K0A Cl0E 67.85(4) . 3_665 ?
Cl08 K0A Cl0E 139.36(7) . 2_655 ?
Cl08 K0A Cl0E 66.03(3) . . ?
Cl08 K0A Cl0E 67.84(4) 2_655 . ?
K09 K0A K005 93.99(3) 4_556 27_546 ?
Cl0D K0A Bi02 44.50(4) 3_665 . ?
Cl0D K0A Bi02 44.50(4) . . ?
Cl0D K0A Bi02 44.50(4) 2_655 . ?
Cl0D K0A K005 100.42(4) 2_655 27_546 ?
Cl0D K0A K005 114.00(5) . 27_546 ?
Cl0D K0A K005 42.56(3) 3_665 27_546 ?
Cl0D K0A K09 135.50(4) 2_655 4_556 ?
Cl0D K0A K09 135.50(4) . 4_556 ?
Cl0D K0A K09 135.50(4) 3_665 4_556 ?
Cl0D K0A Cl0D 74.74(6) 3_665 2_655 ?
Cl0D K0A Cl0D 74.75(6) . 3_665 ?
Cl0D K0A Cl0D 74.75(6) . 2_655 ?
Cl0D K0A Cl0E 66.94(4) . 3_665 ?
Cl0D K0A Cl0E 66.94(4) 2_655 . ?
Cl0D K0A Cl0E 73.23(4) 2_655 2_655 ?
Cl0D K0A Cl0E 66.94(4) 3_665 2_655 ?
Cl0D K0A Cl0E 135.02(7) 2_655 3_665 ?
Cl0D K0A Cl0E 135.03(7) 3_665 . ?
Cl0D K0A Cl0E 73.23(4) 3_665 3_665 ?
Cl0D K0A Cl0E 73.24(4) . . ?
Cl0D K0A Cl0E 135.02(7) . 2_655 ?
Cl0E K0A Bi02 90.73(4) 3_665 . ?
Cl0E K0A Bi02 90.73(4) . . ?
Cl0E K0A Bi02 90.73(4) 2_655 . ?
Cl0E K0A K005 164.05(3) . 27_546 ?
Cl0E K0A K005 75.71(3) 3_665 27_546 ?
Cl0E K0A K005 44.59(3) 2_655 27_546 ?
Cl0E K0A K09 89.27(4) 3_665 4_556 ?
Cl0E K0A K09 89.27(4) . 4_556 ?
Cl0E K0A K09 89.27(4) 2_655 4_556 ?
Cl0E K0A Cl0E 119.984(3) 3_665 . ?
Cl0E K0A Cl0E 119.984(2) 3_665 2_655 ?
Cl0E K0A Cl0E 119.984(3) 2_655 . ?
Bi01 K0B K005 87.20(3) . 25_566 ?
Bi01 K0B K09 180.0 . . ?
Cl07 K0B Bi01 130.37(4) . . ?
Cl07 K0B Bi01 130.37(4) 3_565 . ?
Cl07 K0B Bi01 130.37(4) 2_665 . ?
Cl07 K0B K005 101.83(4) 3_565 25_566 ?
Cl07 K0B K005 45.83(3) 2_665 25_566 ?
Cl07 K0B K005 125.92(5) . 25_566 ?
Cl07 K0B Cl07 82.57(6) 2_665 3_565 ?
Cl07 K0B Cl07 82.57(6) . 3_565 ?
Cl07 K0B Cl07 82.57(6) . 2_665 ?
Cl07 K0B K09 49.63(4) . . ?
Cl07 K0B K09 49.63(4) 2_665 . ?
Cl07 K0B K09 49.63(4) 3_565 . ?
Cl07 K0B Cl0E 65.30(3) 3_565 3_565 ?
Cl07 K0B Cl0E 66.87(4) . 2_665 ?
Cl07 K0B Cl0E 65.30(4) 2_665 2_665 ?
Cl07 K0B Cl0E 137.43(7) 3_565 2_665 ?
Cl07 K0B Cl0E 137.43(7) . 3_565 ?
Cl07 K0B Cl0E 66.87(4) 2_665 3_565 ?
Cl07 K0B Cl0E 137.42(7) 2_665 . ?
Cl07 K0B Cl0E 66.87(4) 3_565 . ?
Cl07 K0B Cl0E 65.29(3) . . ?
Cl07 K0B Cl0G 152.42(5) . 2_665 ?
Cl07 K0B Cl0G 91.32(4) . . ?
Cl07 K0B Cl0G 152.42(5) 2_665 3_565 ?
Cl07 K0B Cl0G 91.33(4) 2_665 2_665 ?
Cl07 K0B Cl0G 123.44(4) . 3_565 ?
Cl07 K0B Cl0G 123.45(4) 3_565 2_665 ?
Cl07 K0B Cl0G 91.33(4) 3_565 3_565 ?
Cl07 K0B Cl0G 152.42(4) 3_565 . ?
Cl07 K0B Cl0G 123.45(4) 2_665 . ?
K09 K0B K005 92.80(3) . 25_566 ?
Cl0E K0B Bi01 92.19(4) 2_665 . ?
Cl0E K0B Bi01 92.19(4) 3_565 . ?
Cl0E K0B Bi01 92.20(4) . . ?
Cl0E K0B K005 164.26(3) . 25_566 ?
Cl0E K0B K005 44.53(3) 3_565 25_566 ?
Cl0E K0B K005 75.88(3) 2_665 25_566 ?
Cl0E K0B K09 87.80(4) . . ?
Cl0E K0B K09 87.81(4) 2_665 . ?
Cl0E K0B K09 87.81(4) 3_565 . ?
Cl0E K0B Cl0E 119.855(6) 3_565 . ?
Cl0E K0B Cl0E 119.855(6) 2_665 . ?
Cl0E K0B Cl0E 119.855(6) 2_665 3_565 ?
Cl0G K0B Bi01 41.26(4) . . ?
Cl0G K0B Bi01 41.26(4) 3_565 . ?
Cl0G K0B Bi01 41.26(4) 2_665 . ?
Cl0G K0B K005 46.21(3) 2_665 25_566 ?
Cl0G K0B K005 103.48(5) . 25_566 ?
Cl0G K0B K005 110.42(5) 3_565 25_566 ?
Cl0G K0B K09 138.74(4) . . ?
Cl0G K0B K09 138.74(4) 2_665 . ?
Cl0G K0B K09 138.74(4) 3_565 . ?
Cl0G K0B Cl0E 60.82(4) . 2_665 ?
Cl0G K0B Cl0E 129.92(6) 2_665 . ?
Cl0G K0B Cl0E 129.91(6) . 3_565 ?
Cl0G K0B Cl0E 86.10(5) 2_665 2_665 ?
Cl0G K0B Cl0E 60.83(4) 3_565 . ?
Cl0G K0B Cl0E 129.91(7) 3_565 2_665 ?
Cl0G K0B Cl0E 86.10(5) 3_565 3_565 ?
Cl0G K0B Cl0E 86.11(5) . . ?
Cl0G K0B Cl0E 60.83(4) 2_665 3_565 ?
Cl0G K0B Cl0G 69.66(6) . 3_565 ?
Cl0G K0B Cl0G 69.66(6) 2_665 3_565 ?
Cl0G K0B Cl0G 69.66(6) . 2_665 ?
Bi03 Cl0C Bi03 99.44(5) 4_556 . ?
Bi03 Cl0C K004 130.28(3) 4_556 . ?
Bi03 Cl0C K004 130.28(3) . . ?
Bi03 Cl0C K09 92.71(3) . . ?
Bi03 Cl0C K09 93.24(3) . 4_556 ?
Bi03 Cl0C K09 92.71(3) 4_556 4_556 ?
Bi03 Cl0C K09 93.24(3) 4_556 . ?
K004 Cl0C K09 85.40(3) . . ?
K004 Cl0C K09 85.40(3) . 4_556 ?
K09 Cl0C K09 170.80(5) . 4_556 ?
Bi02 Cl0D K005 163.12(6) . 25_666 ?
Bi02 Cl0D K0A 80.81(5) . . ?
Bi02 Cl0D K0I 94.86(5) . . ?
K005 Cl0D K0A 93.41(6) 25_666 . ?
K005 Cl0D K0I 102.01(6) 25_666 . ?
K0I Cl0D K0A 109.41(6) . . ?
Bi03 Cl0E K005 137.17(6) . 26_456 ?
Bi03 Cl0E K0A 95.58(5) . . ?
Bi03 Cl0E K0B 96.69(5) . . ?
Bi03 Cl0E K0I 112.43(6) . . ?
K005 Cl0E K0A 82.23(4) 26_456 . ?
K005 Cl0E K0B 82.11(4) 26_456 . ?
K005 Cl0E K0I 110.39(6) 26_456 . ?
K0A Cl0E K0B 164.30(5) . . ?
K0I Cl0E K0A 93.91(5) . . ?
K0I Cl0E K0B 90.44(5) . . ?
Bi03 Cl0F K005 104.10(5) . 25_666 ?
Bi03 Cl0F K005 103.57(5) . 27_556 ?
K005 Cl0F K005 151.69(7) 25_666 27_556 ?
Bi01 Cl0G K005 170.06(7) . 27_556 ?
Bi01 Cl0G K0B 85.37(5) . . ?
Bi01 Cl0G K0I 85.08(5) . . ?
Bi01 Cl0G K0I 89.29(5) . 27_556 ?
Bi01 Cl0G K0I 85.27(5) . 2_665 ?
K005 Cl0G K0I 87.31(5) 27_556 . ?
K005 Cl0G K0I 96.45(5) 27_556 27_556 ?
K005 Cl0G K0I 103.23(6) 27_556 2_665 ?
K0B Cl0G K005 88.82(5) . 27_556 ?
K0B Cl0G K0I 174.66(6) . 27_556 ?
K0B Cl0G K0I 94.35(5) . 2_665 ?
K0B Cl0G K0I 94.17(5) . . ?
K0I Cl0G K0I 166.56(9) 2_665 . ?
K0I Cl0G K0I 85.34(5) 27_556 2_665 ?
K0I Cl0G K0I 85.20(5) 27_556 . ?
Bi02 Cl0H K005 144.83(7) . . ?
Bi02 Cl0H K0I 104.96(6) . 26_456 ?
Bi02 Cl0H K0I 96.19(6) . . ?
K005 Cl0H K0I 105.27(6) . . ?
K005 Cl0H K0I 99.72(6) . 26_456 ?
K0I Cl0H K0I 97.11(6) 26_456 . ?
Bi01 K0I Bi02 116.61(4) . . ?
Bi01 K0I K005 81.66(3) . 27_556 ?
Bi01 K0I K0I 56.432(13) . 26_456 ?
Bi01 K0I K0I 56.431(13) . 27_556 ?
Bi02 K0I K005 156.54(5) . 27_556 ?
Bi02 K0I K0I 138.27(8) . 27_556 ?
Bi02 K0I K0I 60.23(3) . 26_456 ?
Cl0D K0I Bi01 153.68(5) . . ?
Cl0D K0I Bi02 39.01(3) . . ?
Cl0D K0I K005 119.53(6) . 27_556 ?
Cl0D K0I Cl0E 78.89(6) . . ?
Cl0D K0I Cl0G 133.26(7) . 26_456 ?
Cl0D K0I Cl0G 119.28(6) . 3_565 ?
Cl0D K0I Cl0G 160.55(8) . . ?
Cl0D K0I Cl0H 115.03(6) . 27_556 ?
Cl0D K0I Cl0H 71.39(5) . . ?
Cl0D K0I K0I 144.87(6) . 27_556 ?
Cl0D K0I K0I 98.70(5) . 26_456 ?
Cl0E K0I Bi01 92.71(4) . . ?
Cl0E K0I Bi02 87.77(4) . . ?
Cl0E K0I K005 76.21(5) . 27_556 ?
Cl0E K0I Cl0G 86.06(6) . . ?
Cl0E K0I Cl0G 61.10(5) . 3_565 ?
Cl0E K0I Cl0G 127.11(6) . 26_456 ?
Cl0E K0I K0I 130.96(6) . 27_556 ?
Cl0E K0I K0I 92.69(5) . 26_456 ?
Cl0G K0I Bi01 38.25(3) 26_456 . ?
Cl0G K0I Bi01 38.10(3) 3_565 . ?
Cl0G K0I Bi01 38.09(3) . . ?
Cl0G K0I Bi02 153.37(5) . . ?
Cl0G K0I Bi02 98.00(5) 26_456 . ?
Cl0G K0I Bi02 92.74(4) 3_565 . ?
Cl0G K0I K005 94.28(5) 3_565 27_556 ?
Cl0G K0I K005 105.31(4) 26_456 27_556 ?
Cl0G K0I K005 43.72(3) . 27_556 ?
Cl0G K0I Cl0G 66.01(5) 26_456 . ?
Cl0G K0I Cl0G 66.12(5) 26_456 3_565 ?
Cl0G K0I Cl0G 61.72(5) 3_565 . ?
Cl0G K0I K0I 94.21(3) 3_565 27_556 ?
Cl0G K0I K0I 94.20(3) . 26_456 ?
Cl0G K0I K0I 45.60(3) . 27_556 ?
Cl0G K0I K0I 49.04(5) 26_456 27_556 ?
Cl0G K0I K0I 45.61(3) 3_565 26_456 ?
Cl0G K0I K0I 49.20(5) 26_456 26_456 ?
Cl0H K0I Bi01 90.56(5) . . ?
Cl0H K0I Bi01 91.20(4) 27_556 . ?
Cl0H K0I Bi02 144.26(5) 27_556 . ?
Cl0H K0I Bi02 36.69(3) . . ?
Cl0H K0I K005 166.27(6) . 27_556 ?
Cl0H K0I K005 39.83(4) 27_556 27_556 ?
Cl0H K0I Cl0E 114.33(7) 27_556 . ?
Cl0H K0I Cl0E 115.67(6) . . ?
Cl0H K0I Cl0G 60.47(4) 27_556 . ?
Cl0H K0I Cl0G 90.51(6) 27_556 26_456 ?
Cl0H K0I Cl0G 126.96(6) . . ?
Cl0H K0I Cl0G 86.34(5) . 3_565 ?
Cl0H K0I Cl0G 122.19(5) 27_556 3_565 ?
Cl0H K0I Cl0G 62.44(5) . 26_456 ?
Cl0H K0I Cl0H 129.82(7) 27_556 . ?
Cl0H K0I K0I 102.89(8) . 27_556 ?
Cl0H K0I K0I 139.58(7) 27_556 26_456 ?
Cl0H K0I K0I 41.83(4) 27_556 27_556 ?
Cl0H K0I K0I 41.07(5) . 26_456 ?
K0I K0I K005 63.38(3) 27_556 27_556 ?
K0I K0I K005 136.32(3) 26_456 27_556 ?
K0I K0I K0I 97.78(6) 26_456 27_556 ?

_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 5.982
_oxdiff_exptl_absorpt_empirical_full_min 0.389
####################################################################### 
# 
# 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_exp_1745_ywj_k7bi3br16
_database_code_depnum_ccdc_archive 'CCDC 2303749'
loop_
_audit_author_name
_audit_author_address
jdfan
;Jinan University
China
;
_audit_update_record             
;
2023-10-26 deposited with the CCDC.	2024-03-12 downloaded from the CCDC.
;
_audit_creation_date             2023-07-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.17(Bi18 Br96 K42)'
_chemical_formula_sum            'Bi3 Br16 K7'
_chemical_formula_weight         2179.20
_chemical_melting_point          ?
_chemical_oxdiff_formula         'K Bi Br'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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      hexagonal
_space_group_IT_number           176
_space_group_name_H-M_alt        'P 63/m'
_space_group_name_Hall           '-P 6c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'

_cell_length_a                   13.4181(4)
_cell_length_b                   13.4181(4)
_cell_length_c                   34.9412(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     5448.2(4)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    4668
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.7190
_cell_measurement_theta_min      1.8380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    32.901
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.15256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
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    3.985
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5652
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_unetI/netI     0.0754
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.942
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            17993
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.942
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.142
_diffrn_reflns_theta_min         1.752
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00   0.00   0.50   36.00    --   14.73 -15.00  60.00   78
  2  ω     12.00  69.00   0.50   36.00    --   14.73-125.00  90.00  114
  3  ω     -1.00  59.00   0.50   36.00    --   14.73-108.00-101.00  120
  4  ω    -20.00   5.00   0.50   36.00    --  -15.91 -47.00-129.00   50
  5  ω    -45.00 -13.00   0.50   36.00    --   14.73 -22.00-141.00   64
  6  ω     57.00  82.00   0.50   36.00    --   14.73  61.00-150.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0271656000
_diffrn_orient_matrix_UB_12      -0.0366451000
_diffrn_orient_matrix_UB_13      0.0158758000
_diffrn_orient_matrix_UB_21      0.0320165000
_diffrn_orient_matrix_UB_22      0.0466788000
_diffrn_orient_matrix_UB_23      0.0126491000
_diffrn_orient_matrix_UB_31      -0.0442883000
_diffrn_orient_matrix_UB_32      0.0141962000
_diffrn_orient_matrix_UB_33      -0.0005935000
_diffrn_oxdiff_digest_frames     
;
015887e9e4a11ee6d1e0f81a54c6dd23b00086485b7
;
_diffrn_oxdiff_digest_hkl        
;
01555142f7369471127fdb6d1033fe15d0bd4b
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2497
_reflns_number_total             3867
_reflns_odcompleteness_completeness 97.53
_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 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.393
_refine_diff_density_min         -2.744
_refine_diff_density_rms         0.428
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         3867
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0481
_refine_ls_restrained_S_all      0.976
_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)+(0.0444P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.1019
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_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
Bi01 Bi 0.000000 0.000000 0.500000 0.0214(3) Uani 1 6 d S T P . .
Bi02 Bi 0.333333 0.666667 0.49142(2) 0.02348(19) Uani 1 3 d S T P . .
Bi03 Bi 0.33421(3) 0.34044(3) 0.68436(2) 0.02460(13) Uani 1 1 d . . . . .
Br04 Br 0.33331(13) 0.48818(13) 0.750000 0.0331(4) Uani 1 2 d S T P . .
Br05 Br 0.58003(9) 0.46729(10) 0.68620(4) 0.0333(3) Uani 1 1 d . . . . .
Br06 Br 0.08684(9) 0.21981(10) 0.68454(4) 0.0344(3) Uani 1 1 d . . . . .
Br07 Br 0.33163(16) 0.19071(14) 0.750000 0.0429(5) Uani 1 2 d S T P . .
Br08 Br 0.39336(11) 0.52695(10) 0.44379(4) 0.0469(4) Uani 1 1 d . . . . .
Br09 Br 0.33502(11) 0.20689(11) 0.62600(4) 0.0538(4) Uani 1 1 d . . . . .
Br0A Br 0.33476(10) 0.49254(11) 0.63343(5) 0.0556(5) Uani 1 1 d . . . . .
Br0B Br 0.17060(11) 0.00172(13) 0.54790(4) 0.0557(4) Uani 1 1 d . . . . .
Br0C Br 0.19345(11) 0.47527(11) 0.53522(4) 0.0561(4) Uani 1 1 d . . . . .
K00D K 0.0536(3) 0.3853(3) 0.750000 0.0357(10) Uani 1 2 d S T P . .
K00E K 0.0482(2) 0.3816(2) 0.61636(8) 0.0396(7) Uani 1 1 d . . . . .
K00F K 0.666667 0.333333 0.750000 0.0439(18) Uani 1 6 d S T P . .
K00G K 0.000000 0.000000 0.750000 0.0484(19) Uani 1 6 d S T P . .
K00H K 0.333333 0.666667 0.37630(15) 0.0461(13) Uani 1 3 d S T P . .
K00I K 0.000000 0.000000 0.62113(15) 0.0512(14) Uani 1 3 d S T P . .
K00J K 0.3282(2) 0.3230(3) 0.53518(13) 0.0734(12) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Bi01 Br0B 2.8263(12) 8_556 ?
Bi01 Br0B 2.8264(12) 3 ?
Bi01 Br0B 2.8264(12) 9_556 ?
Bi01 Br0B 2.8264(12) . ?
Bi01 Br0B 2.8264(12) 7_556 ?
Bi01 Br0B 2.8263(12) 2 ?
Bi01 K00I 4.233(5) . ?
Bi01 K00I 4.233(5) 7_556 ?
Bi02 Br08 2.9057(13) 2_665 ?
Bi02 Br08 2.9057(13) 3_565 ?
Bi02 Br08 2.9057(13) . ?
Bi02 Br0C 2.7641(13) 2_665 ?
Bi02 Br0C 2.7641(13) . ?
Bi02 Br0C 2.7641(13) 3_565 ?
Bi02 K00H 4.022(5) . ?
Bi03 Br04 3.0355(11) . ?
Bi03 Br05 2.8577(12) . ?
Bi03 Br06 2.8748(12) . ?
Bi03 Br07 3.0379(11) . ?
Bi03 Br09 2.7182(14) . ?
Bi03 Br0A 2.7049(13) . ?
Br04 K00D 3.312(4) 2_665 ?
Br04 K00D 3.288(4) . ?
Br05 K00D 3.347(3) 2_665 ?
Br05 K00E 3.464(3) 2_665 ?
Br05 K00F 3.4119(12) . ?
Br05 K00H 3.383(3) 7_666 ?
Br06 K00D 3.369(3) . ?
Br06 K00E 3.432(3) . ?
Br06 K00G 3.4427(12) . ?
Br06 K00I 3.395(4) . ?
Br07 K00D 3.278(4) 3 ?
Br07 K00F 3.9075(18) . ?
Br07 K00G 3.8682(18) . ?
Br08 K00E 3.283(3) 8_556 ?
Br08 K00H 3.352(4) . ?
Br08 K00J 3.321(3) 7_666 ?
Br09 K00E 3.428(3) 3 ?
Br09 K00H 3.8907(14) 7_666 ?
Br09 K00J 3.556(5) . ?
Br0A K00E 3.378(3) 2_665 ?
Br0A K00E 3.410(3) . ?
Br0B K00E 3.522(3) 3 ?
Br0B K00I 3.426(4) . ?
Br0B K00J 3.863(3) 3 ?
Br0B K00J 3.579(4) 8_556 ?
Br0B K00J 3.760(3) . ?
Br0C K00E 3.312(3) . ?
Br0C K00J 3.338(3) . ?
Br0C K00J 3.367(4) 9_556 ?
K00D K00E 4.670(3) 10_557 ?
K00D K00E 4.670(3) . ?
K00D K00F 4.880(3) 1_455 ?
K00D K00G 4.851(3) . ?
K00E K00H 4.836(2) 7_566 ?
K00E K00I 4.832(2) . ?
K00F K00H 4.413(5) 7_666 ?
K00F K00H 4.413(5) 4_665 ?
K00G K00I 4.503(5) 10_557 ?
K00G K00I 4.503(5) . ?
K00J K00J 5.013(5) 8_556 ?
K00J K00J 5.013(5) 9_556 ?

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
Br0B Bi01 Br0B 180.00(5) 8_556 2 ?
Br0B Bi01 Br0B 91.48(4) 3 7_556 ?
Br0B Bi01 Br0B 88.52(4) 8_556 7_556 ?
Br0B Bi01 Br0B 88.52(4) 9_556 7_556 ?
Br0B Bi01 Br0B 88.51(4) 2 . ?
Br0B Bi01 Br0B 88.51(4) 3 . ?
Br0B Bi01 Br0B 91.48(4) 8_556 3 ?
Br0B Bi01 Br0B 88.52(4) 8_556 9_556 ?
Br0B Bi01 Br0B 88.52(4) 2 3 ?
Br0B Bi01 Br0B 91.49(4) 8_556 . ?
Br0B Bi01 Br0B 180.0 9_556 3 ?
Br0B Bi01 Br0B 91.48(4) 2 9_556 ?
Br0B Bi01 Br0B 91.49(4) 9_556 . ?
Br0B Bi01 Br0B 91.48(4) 2 7_556 ?
Br0B Bi01 Br0B 180.0 7_556 . ?
Br0B Bi01 K00I 126.31(3) 8_556 . ?
Br0B Bi01 K00I 126.31(3) 7_556 . ?
Br0B Bi01 K00I 53.69(3) 3 . ?
Br0B Bi01 K00I 126.31(3) 3 7_556 ?
Br0B Bi01 K00I 53.69(3) . . ?
Br0B Bi01 K00I 126.31(3) 2 7_556 ?
Br0B Bi01 K00I 53.69(3) 7_556 7_556 ?
Br0B Bi01 K00I 53.69(3) 2 . ?
Br0B Bi01 K00I 53.69(3) 8_556 7_556 ?
Br0B Bi01 K00I 126.31(3) . 7_556 ?
Br0B Bi01 K00I 53.69(3) 9_556 7_556 ?
Br0B Bi01 K00I 126.31(3) 9_556 . ?
K00I Bi01 K00I 180.0 . 7_556 ?
Br08 Bi02 Br08 90.45(4) 3_565 2_665 ?
Br08 Bi02 Br08 90.45(4) 2_665 . ?
Br08 Bi02 Br08 90.45(4) 3_565 . ?
Br08 Bi02 K00H 55.06(3) 3_565 . ?
Br08 Bi02 K00H 55.06(3) 2_665 . ?
Br08 Bi02 K00H 55.06(3) . . ?
Br0C Bi02 Br08 87.47(4) . 3_565 ?
Br0C Bi02 Br08 89.78(4) . . ?
Br0C Bi02 Br08 177.91(4) 3_565 . ?
Br0C Bi02 Br08 177.91(4) . 2_665 ?
Br0C Bi02 Br08 87.47(4) 3_565 2_665 ?
Br0C Bi02 Br08 87.47(4) 2_665 . ?
Br0C Bi02 Br08 89.78(4) 2_665 2_665 ?
Br0C Bi02 Br08 177.91(4) 2_665 3_565 ?
Br0C Bi02 Br08 89.78(4) 3_565 3_565 ?
Br0C Bi02 Br0C 92.30(5) 3_565 . ?
Br0C Bi02 Br0C 92.30(5) 2_665 . ?
Br0C Bi02 Br0C 92.30(5) 3_565 2_665 ?
Br0C Bi02 K00H 123.62(3) 3_565 . ?
Br0C Bi02 K00H 123.62(4) 2_665 . ?
Br0C Bi02 K00H 123.62(4) . . ?
Br04 Bi03 Br07 81.89(3) . . ?
Br05 Bi03 Br04 88.53(4) . . ?
Br05 Bi03 Br06 177.65(4) . . ?
Br05 Bi03 Br07 90.28(4) . . ?
Br06 Bi03 Br04 89.17(4) . . ?
Br06 Bi03 Br07 89.88(4) . . ?
Br09 Bi03 Br04 179.52(4) . . ?
Br09 Bi03 Br05 91.47(4) . . ?
Br09 Bi03 Br06 90.83(4) . . ?
Br09 Bi03 Br07 97.63(4) . . ?
Br0A Bi03 Br04 90.21(4) . . ?
Br0A Bi03 Br05 89.92(4) . . ?
Br0A Bi03 Br06 89.60(4) . . ?
Br0A Bi03 Br07 172.10(4) . . ?
Br0A Bi03 Br09 90.26(5) . . ?
Bi03 Br04 Bi03 98.15(5) . 10_557 ?
Bi03 Br04 K00D 95.87(5) 10_557 . ?
Bi03 Br04 K00D 95.80(5) 10_557 2_665 ?
Bi03 Br04 K00D 95.80(5) . 2_665 ?
Bi03 Br04 K00D 95.87(5) . . ?
K00D Br04 K00D 162.14(10) . 2_665 ?
Bi03 Br05 K00D 98.57(7) . 2_665 ?
Bi03 Br05 K00E 97.23(6) . 2_665 ?
Bi03 Br05 K00F 107.27(4) . . ?
Bi03 Br05 K00H 105.66(4) . 7_666 ?
K00D Br05 K00E 86.55(6) 2_665 2_665 ?
K00D Br05 K00F 92.44(5) 2_665 . ?
K00D Br05 K00H 155.76(7) 2_665 7_666 ?
K00F Br05 K00E 155.34(6) . 2_665 ?
K00H Br05 K00E 89.86(8) 7_666 2_665 ?
K00H Br05 K00F 81.01(7) 7_666 . ?
Bi03 Br06 K00D 97.27(7) . . ?
Bi03 Br06 K00E 98.01(6) . . ?
Bi03 Br06 K00G 106.54(4) . . ?
Bi03 Br06 K00I 106.61(4) . . ?
K00D Br06 K00E 86.72(6) . . ?
K00D Br06 K00G 90.80(5) . . ?
K00D Br06 K00I 156.12(7) . . ?
K00E Br06 K00G 155.44(6) . . ?
K00I Br06 K00E 90.10(8) . . ?
K00I Br06 K00G 82.37(7) . . ?
Bi03 Br07 Bi03 98.05(5) . 10_557 ?
Bi03 Br07 K00D 130.97(2) . 3 ?
Bi03 Br07 K00D 130.97(2) 10_557 3 ?
Bi03 Br07 K00F 92.65(4) . . ?
Bi03 Br07 K00F 92.65(4) 10_557 . ?
Bi03 Br07 K00G 93.81(4) . . ?
Bi03 Br07 K00G 93.81(4) 10_557 . ?
K00D Br07 K00F 85.08(7) 3 . ?
K00D Br07 K00G 85.07(7) 3 . ?
K00G Br07 K00F 170.14(4) . . ?
Bi02 Br08 K00E 163.31(7) . 8_556 ?
Bi02 Br08 K00H 79.65(7) . . ?
Bi02 Br08 K00J 94.16(7) . 7_666 ?
K00E Br08 K00H 93.57(9) 8_556 . ?
K00E Br08 K00J 102.48(8) 8_556 7_666 ?
K00J Br08 K00H 109.18(8) 7_666 . ?
Bi03 Br09 K00E 137.04(7) . 3 ?
Bi03 Br09 K00H 96.25(7) . 7_666 ?
Bi03 Br09 K00J 111.79(7) . . ?
K00E Br09 K00H 82.44(5) 3 7_666 ?
K00E Br09 K00J 111.15(8) 3 . ?
K00J Br09 K00H 93.71(9) . 7_666 ?
Bi03 Br0A K00E 102.42(6) . 2_665 ?
Bi03 Br0A K00E 102.03(6) . . ?
K00E Br0A K00E 154.91(10) 2_665 . ?
Bi01 Br0B K00E 167.78(7) . 3 ?
Bi01 Br0B K00I 84.64(7) . . ?
Bi01 Br0B K00J 85.90(6) . . ?
Bi01 Br0B K00J 89.45(7) . 8_556 ?
Bi01 Br0B K00J 83.94(6) . 3 ?
K00E Br0B K00J 86.66(8) 3 3 ?
K00E Br0B K00J 104.57(8) 3 . ?
K00E Br0B K00J 97.43(8) 3 8_556 ?
K00I Br0B K00E 88.12(8) . 3 ?
K00I Br0B K00J 93.15(7) . 3 ?
K00I Br0B K00J 173.88(9) . 8_556 ?
K00I Br0B K00J 94.99(7) . . ?
K00J Br0B K00J 86.15(7) 8_556 . ?
K00J Br0B K00J 166.31(14) . 3 ?
K00J Br0B K00J 84.62(6) 8_556 3 ?
Bi02 Br0C K00E 145.50(7) . . ?
Bi02 Br0C K00J 104.15(8) . . ?
Bi02 Br0C K00J 95.84(7) . 9_556 ?
K00E Br0C K00J 106.05(9) . 9_556 ?
K00E Br0C K00J 99.44(9) . . ?
K00J Br0C K00J 96.78(10) . 9_556 ?
Br04 K00D Br04 77.86(10) . 3_565 ?
Br04 K00D Br05 129.94(7) . 3_565 ?
Br04 K00D Br05 76.33(7) 3_565 12_567 ?
Br04 K00D Br05 76.33(7) 3_565 3_565 ?
Br04 K00D Br05 129.94(7) . 12_567 ?
Br04 K00D Br06 77.12(7) . 10_557 ?
Br04 K00D Br06 129.58(7) 3_565 10_557 ?
Br04 K00D Br06 129.58(7) 3_565 . ?
Br04 K00D Br06 77.12(7) . . ?
Br04 K00D K00E 90.43(5) 3_565 10_557 ?
Br04 K00D K00E 90.73(5) . . ?
Br04 K00D K00E 90.43(5) 3_565 . ?
Br04 K00D K00E 90.73(5) . 10_557 ?
Br04 K00D K00F 87.93(7) 3_565 1_455 ?
Br04 K00D K00F 165.79(10) . 1_455 ?
Br04 K00D K00G 88.69(7) . . ?
Br04 K00D K00G 166.55(10) 3_565 . ?
Br05 K00D Br05 83.51(8) 3_565 12_567 ?
Br05 K00D Br06 149.42(12) 3_565 10_557 ?
Br05 K00D Br06 149.42(12) 12_567 . ?
Br05 K00D Br06 87.52(4) 12_567 10_557 ?
Br05 K00D Br06 87.52(4) 3_565 . ?
Br05 K00D K00E 47.77(3) 3_565 . ?
Br05 K00D K00E 131.27(8) 12_567 . ?
Br05 K00D K00E 131.27(8) 3_565 10_557 ?
Br05 K00D K00E 47.77(3) 12_567 10_557 ?
Br05 K00D K00F 44.30(4) 12_567 1_455 ?
Br05 K00D K00F 44.30(4) 3_565 1_455 ?
Br05 K00D K00G 113.23(7) 3_565 . ?
Br05 K00D K00G 113.23(7) 12_567 . ?
Br06 K00D Br06 85.51(8) 10_557 . ?
Br06 K00D K00E 132.70(8) 10_557 . ?
Br06 K00D K00E 132.70(8) . 10_557 ?
Br06 K00D K00E 47.20(4) . . ?
Br06 K00D K00E 47.20(4) 10_557 10_557 ?
Br06 K00D K00F 112.82(7) . 1_455 ?
Br06 K00D K00F 112.82(7) 10_557 1_455 ?
Br06 K00D K00G 45.21(4) 10_557 . ?
Br06 K00D K00G 45.21(4) . . ?
Br07 K00D Br04 141.30(11) 2 . ?
Br07 K00D Br04 140.84(11) 2 3_565 ?
Br07 K00D Br05 74.72(7) 2 12_567 ?
Br07 K00D Br05 74.72(7) 2 3_565 ?
Br07 K00D Br06 74.72(7) 2 10_557 ?
Br07 K00D Br06 74.72(7) 2 . ?
Br07 K00D K00E 89.25(5) 2 10_557 ?
Br07 K00D K00E 89.25(5) 2 . ?
Br07 K00D K00F 52.91(6) 2 1_455 ?
Br07 K00D K00G 52.61(6) 2 . ?
K00E K00D K00E 178.44(11) 10_557 . ?
K00E K00D K00F 89.37(5) . 1_455 ?
K00E K00D K00F 89.36(5) 10_557 1_455 ?
K00E K00D K00G 89.73(5) 10_557 . ?
K00E K00D K00G 89.73(5) . . ?
K00G K00D K00F 105.52(7) . 1_455 ?
Br05 K00E Br0B 135.97(9) 3_565 2 ?
Br05 K00E K00D 45.68(6) 3_565 . ?
Br05 K00E K00H 44.39(7) 3_565 7_566 ?
Br05 K00E K00I 111.73(9) 3_565 . ?
Br06 K00E Br05 84.70(7) . 3_565 ?
Br06 K00E Br0B 89.24(6) . 2 ?
Br06 K00E K00D 46.08(6) . . ?
Br06 K00E K00H 111.29(8) . 7_566 ?
Br06 K00E K00I 44.64(7) . . ?
Br08 K00E Br05 84.85(6) 9_556 3_565 ?
Br08 K00E Br06 145.65(9) 9_556 . ?
Br08 K00E Br09 73.34(6) 9_556 2 ?
Br08 K00E Br0A 142.52(10) 9_556 . ?
Br08 K00E Br0A 88.51(7) 9_556 3_565 ?
Br08 K00E Br0B 76.08(7) 9_556 2 ?
Br08 K00E Br0C 75.17(7) 9_556 . ?
Br08 K00E K00D 130.34(8) 9_556 . ?
Br08 K00E K00H 43.77(7) 9_556 7_566 ?
Br08 K00E K00I 111.35(8) 9_556 . ?
Br09 K00E Br05 71.99(6) 2 3_565 ?
Br09 K00E Br06 72.31(6) 2 . ?
Br09 K00E Br0B 64.66(6) 2 2 ?
Br09 K00E K00D 85.11(8) 2 . ?
Br09 K00E K00H 52.90(4) 2 7_566 ?
Br09 K00E K00I 53.65(4) 2 . ?
Br0A K00E Br05 117.54(9) . 3_565 ?
Br0A K00E Br05 70.14(6) 3_565 3_565 ?
Br0A K00E Br06 70.18(5) . . ?
Br0A K00E Br06 118.15(9) 3_565 . ?
Br0A K00E Br09 139.15(8) 3_565 2 ?
Br0A K00E Br09 139.86(8) . 2 ?
Br0A K00E Br0A 73.54(7) 3_565 . ?
Br0A K00E Br0B 146.34(10) 3_565 2 ?
Br0A K00E Br0B 100.88(7) . 2 ?
Br0A K00E K00D 79.19(7) . . ?
Br0A K00E K00D 79.38(7) 3_565 . ?
Br0A K00E K00H 159.42(9) . 7_566 ?
Br0A K00E K00H 88.66(5) 3_565 7_566 ?
Br0A K00E K00I 88.92(5) . . ?
Br0A K00E K00I 160.08(9) 3_565 . ?
Br0B K00E K00D 133.12(8) 2 . ?
Br0B K00E K00H 99.66(7) 2 7_566 ?
Br0B K00E K00I 45.12(7) 2 . ?
Br0C K00E Br05 147.03(9) . 3_565 ?
Br0C K00E Br06 126.02(8) . . ?
Br0C K00E Br09 124.54(9) . 2 ?
Br0C K00E Br0A 83.19(7) . 3_565 ?
Br0C K00E Br0A 70.31(6) . . ?
Br0C K00E Br0B 64.12(6) . 2 ?
Br0C K00E K00D 148.10(9) . . ?
Br0C K00E K00H 118.61(9) . 7_566 ?
Br0C K00E K00I 99.99(8) . . ?
K00D K00E K00H 87.59(8) . 7_566 ?
K00D K00E K00I 88.28(9) . . ?
K00I K00E K00H 106.53(5) . 7_566 ?
Br05 K00F Br05 135.514(14) 2_655 10_557 ?
Br05 K00F Br05 81.59(4) 12_667 3_665 ?
Br05 K00F Br05 81.59(4) 2_655 11_657 ?
Br05 K00F Br05 81.93(3) 2_655 . ?
Br05 K00F Br05 135.514(14) 12_667 2_655 ?
Br05 K00F Br05 81.94(3) 11_657 10_557 ?
Br05 K00F Br05 135.514(14) 3_665 11_657 ?
Br05 K00F Br05 135.514(14) 3_665 10_557 ?
Br05 K00F Br05 81.94(3) 3_665 . ?
Br05 K00F Br05 81.59(4) 10_557 . ?
Br05 K00F Br05 135.514(14) 11_657 . ?
Br05 K00F Br05 81.94(3) 12_667 10_557 ?
Br05 K00F Br05 81.94(3) 3_665 2_655 ?
Br05 K00F Br05 81.94(3) 12_667 11_657 ?
Br05 K00F Br05 135.515(14) 12_667 . ?
Br05 K00F Br07 66.24(2) 12_667 2_655 ?
Br05 K00F Br07 139.16(2) 12_667 . ?
Br05 K00F Br07 139.16(2) 3_665 . ?
Br05 K00F Br07 66.24(2) . 3_665 ?
Br05 K00F Br07 139.16(2) . 2_655 ?
Br05 K00F Br07 69.29(2) 3_665 3_665 ?
Br05 K00F Br07 66.24(2) 2_655 . ?
Br05 K00F Br07 66.24(2) 3_665 2_655 ?
Br05 K00F Br07 69.29(2) 12_667 3_665 ?
Br05 K00F Br07 69.29(2) . . ?
Br05 K00F Br07 139.16(2) 2_655 3_665 ?
Br05 K00F Br07 69.29(2) 2_655 2_655 ?
Br05 K00F Br07 66.24(2) 10_557 3_665 ?
Br05 K00F Br07 69.29(2) 11_657 2_655 ?
Br05 K00F Br07 66.24(2) 11_657 . ?
Br05 K00F Br07 69.29(2) 10_557 . ?
Br05 K00F Br07 139.16(2) 10_557 2_655 ?
Br05 K00F Br07 139.16(2) 11_657 3_665 ?
Br05 K00F K00D 43.25(2) 12_667 1_655 ?
Br05 K00F K00D 100.68(4) 11_657 1_655 ?
Br05 K00F K00D 100.68(4) 2_655 1_655 ?
Br05 K00F K00D 122.89(3) . 1_655 ?
Br05 K00F K00D 122.89(3) 10_557 1_655 ?
Br05 K00F K00D 43.25(2) 3_665 1_655 ?
Br05 K00F K00H 130.79(2) 12_667 7_666 ?
Br05 K00F K00H 130.79(2) 3_665 4_665 ?
Br05 K00F K00H 49.21(2) 10_557 4_665 ?
Br05 K00F K00H 49.21(2) 3_665 7_666 ?
Br05 K00F K00H 130.79(2) 10_557 7_666 ?
Br05 K00F K00H 49.21(2) 12_667 4_665 ?
Br05 K00F K00H 130.79(2) 2_655 4_665 ?
Br05 K00F K00H 49.21(2) 11_657 4_665 ?
Br05 K00F K00H 49.21(2) 2_655 7_666 ?
Br05 K00F K00H 49.21(2) . 7_666 ?
Br05 K00F K00H 130.79(2) 11_657 7_666 ?
Br05 K00F K00H 130.80(2) . 4_665 ?
Br07 K00F Br07 120.0 2_655 . ?
Br07 K00F Br07 120.0 2_655 3_665 ?
Br07 K00F Br07 120.0 . 3_665 ?
Br07 K00F K00D 42.01(5) 2_655 1_655 ?
Br07 K00F K00D 162.01(5) . 1_655 ?
Br07 K00F K00D 77.99(5) 3_665 1_655 ?
Br07 K00F K00H 90.0 . 7_666 ?
Br07 K00F K00H 90.0 2_655 4_665 ?
Br07 K00F K00H 90.0 3_665 4_665 ?
Br07 K00F K00H 89.999(1) 2_655 7_666 ?
Br07 K00F K00H 90.0 . 4_665 ?
Br07 K00F K00H 90.0 3_665 7_666 ?
K00H K00F K00D 90.000(1) 4_665 1_655 ?
K00H K00F K00D 90.000(1) 7_666 1_655 ?
K00H K00F K00H 180.0 4_665 7_666 ?
Br06 K00G Br06 136.114(15) 2 12_557 ?
Br06 K00G Br06 83.27(4) 2 11_557 ?
Br06 K00G Br06 83.27(4) 12_557 3 ?
Br06 K00G Br06 80.67(3) 10_557 12_557 ?
Br06 K00G Br06 136.114(15) 2 10_557 ?
Br06 K00G Br06 136.114(15) 10_557 3 ?
Br06 K00G Br06 136.113(15) . 12_557 ?
Br06 K00G Br06 83.27(4) . 10_557 ?
Br06 K00G Br06 136.114(15) 3 11_557 ?
Br06 K00G Br06 80.67(3) 12_557 11_557 ?
Br06 K00G Br06 80.67(3) 2 3 ?
Br06 K00G Br06 80.67(3) . 3 ?
Br06 K00G Br06 80.67(3) 10_557 11_557 ?
Br06 K00G Br06 136.114(15) . 11_557 ?
Br06 K00G Br06 80.67(3) . 2 ?
Br06 K00G Br07 138.33(2) . 3 ?
Br06 K00G Br07 69.43(2) 11_557 2 ?
Br06 K00G Br07 69.43(2) . . ?
Br06 K00G Br07 138.33(2) 3 2 ?
Br06 K00G Br07 138.33(2) 11_557 . ?
Br06 K00G Br07 66.70(2) . 2 ?
Br06 K00G Br07 138.33(2) 2 . ?
Br06 K00G Br07 66.70(2) 2 3 ?
Br06 K00G Br07 69.43(2) 3 3 ?
Br06 K00G Br07 66.70(2) 3 . ?
Br06 K00G Br07 69.43(2) 2 2 ?
Br06 K00G Br07 138.33(2) 10_557 3 ?
Br06 K00G Br07 138.33(2) 12_557 2 ?
Br06 K00G Br07 66.70(2) 10_557 2 ?
Br06 K00G Br07 69.43(2) 10_557 . ?
Br06 K00G Br07 69.43(2) 12_557 3 ?
Br06 K00G Br07 66.70(2) 12_557 . ?
Br06 K00G Br07 66.70(2) 11_557 3 ?
Br06 K00G K00D 100.62(3) 11_557 . ?
Br06 K00G K00D 122.35(3) 3 . ?
Br06 K00G K00D 43.99(2) 10_557 . ?
Br06 K00G K00D 43.99(2) . . ?
Br06 K00G K00D 122.35(3) 12_557 . ?
Br06 K00G K00D 100.62(3) 2 . ?
Br06 K00G K00I 48.36(2) 10_557 10_557 ?
Br06 K00G K00I 131.64(2) 10_557 . ?
Br06 K00G K00I 131.64(2) 3 10_557 ?
Br06 K00G K00I 131.64(2) 11_557 . ?
Br06 K00G K00I 48.36(2) 12_557 10_557 ?
Br06 K00G K00I 48.36(2) 3 . ?
Br06 K00G K00I 48.36(2) 2 . ?
Br06 K00G K00I 131.64(2) . 10_557 ?
Br06 K00G K00I 131.64(2) 12_557 . ?
Br06 K00G K00I 48.36(2) . . ?
Br06 K00G K00I 131.64(2) 2 10_557 ?
Br06 K00G K00I 48.36(2) 11_557 10_557 ?
Br07 K00G Br07 120.000(1) . 2 ?
Br07 K00G Br07 120.0 3 . ?
Br07 K00G Br07 119.999(1) 3 2 ?
Br07 K00G K00D 42.33(4) 2 . ?
Br07 K00G K00D 77.67(4) . . ?
Br07 K00G K00D 162.33(4) 3 . ?
Br07 K00G K00I 90.0 3 . ?
Br07 K00G K00I 90.0 3 10_557 ?
Br07 K00G K00I 90.0 . 10_557 ?
Br07 K00G K00I 90.0 2 10_557 ?
Br07 K00G K00I 90.0 2 . ?
Br07 K00G K00I 90.0 . . ?
K00I K00G K00D 90.000(1) 10_557 . ?
K00I K00G K00D 90.000(1) . . ?
K00I K00G K00I 180.0 10_557 . ?
Bi02 K00H K00E 86.96(7) . 7_566 ?
Bi02 K00H K00F 180.0 . 7_666 ?
Br05 K00H Bi02 130.22(7) 8_566 . ?
Br05 K00H Bi02 130.22(7) 7_666 . ?
Br05 K00H Bi02 130.22(7) 9_556 . ?
Br05 K00H Br05 82.80(10) 9_556 8_566 ?
Br05 K00H Br05 82.80(10) 8_566 7_666 ?
Br05 K00H Br05 82.80(10) 9_556 7_666 ?
Br05 K00H Br09 67.27(4) 9_556 8_566 ?
Br05 K00H Br09 66.19(4) 8_566 8_566 ?
Br05 K00H Br09 138.59(14) 7_666 8_566 ?
Br05 K00H Br09 67.27(4) 7_666 9_556 ?
Br05 K00H Br09 138.59(14) 8_566 9_556 ?
Br05 K00H Br09 66.19(4) 9_556 9_556 ?
Br05 K00H Br09 67.27(4) 8_566 7_666 ?
Br05 K00H Br09 138.59(14) 9_556 7_666 ?
Br05 K00H Br09 66.19(4) 7_666 7_666 ?
Br05 K00H K00E 102.42(6) 8_566 7_566 ?
Br05 K00H K00E 125.82(9) 7_666 7_566 ?
Br05 K00H K00E 45.75(4) 9_556 7_566 ?
Br05 K00H K00F 49.78(7) 9_556 7_666 ?
Br05 K00H K00F 49.78(7) 7_666 7_666 ?
Br05 K00H K00F 49.78(7) 8_566 7_666 ?
Br08 K00H Bi02 45.29(7) . . ?
Br08 K00H Bi02 45.29(7) 2_665 . ?
Br08 K00H Bi02 45.29(7) 3_565 . ?
Br08 K00H Br05 140.58(3) 3_565 7_666 ?
Br08 K00H Br05 85.09(3) 2_665 8_566 ?
Br08 K00H Br05 132.51(3) 2_665 7_666 ?
Br08 K00H Br05 132.51(3) . 9_556 ?
Br08 K00H Br05 140.58(3) 2_665 9_556 ?
Br08 K00H Br05 132.51(3) 3_565 8_566 ?
Br08 K00H Br05 140.58(3) . 8_566 ?
Br08 K00H Br05 85.09(3) . 7_666 ?
Br08 K00H Br05 85.09(3) 3_565 9_556 ?
Br08 K00H Br08 75.97(10) 3_565 . ?
Br08 K00H Br08 75.97(10) 2_665 . ?
Br08 K00H Br08 75.97(10) 3_565 2_665 ?
Br08 K00H Br09 73.51(5) 2_665 8_566 ?
Br08 K00H Br09 136.24(14) 3_565 7_666 ?
Br08 K00H Br09 73.51(5) . 7_666 ?
Br08 K00H Br09 136.24(14) 2_665 9_556 ?
Br08 K00H Br09 73.51(5) 3_565 9_556 ?
Br08 K00H Br09 66.76(4) 3_565 8_566 ?
Br08 K00H Br09 136.24(14) . 8_566 ?
Br08 K00H Br09 66.76(4) . 9_556 ?
Br08 K00H Br09 66.76(4) 2_665 7_666 ?
Br08 K00H K00E 42.66(4) 3_565 7_566 ?
Br08 K00H K00E 101.61(7) 2_665 7_566 ?
Br08 K00H K00E 114.98(9) . 7_566 ?
Br08 K00H K00F 134.71(7) . 7_666 ?
Br08 K00H K00F 134.71(7) 3_565 7_666 ?
Br08 K00H K00F 134.71(7) 2_665 7_666 ?
Br09 K00H Bi02 91.19(8) 8_566 . ?
Br09 K00H Bi02 91.19(8) 9_556 . ?
Br09 K00H Bi02 91.19(8) 7_666 . ?
Br09 K00H Br09 119.958(6) 8_566 9_556 ?
Br09 K00H Br09 119.958(6) 8_566 7_666 ?
Br09 K00H Br09 119.956(6) 9_556 7_666 ?
Br09 K00H K00E 75.62(4) 9_556 7_566 ?
Br09 K00H K00E 164.37(4) 7_666 7_566 ?
Br09 K00H K00E 44.65(4) 8_566 7_566 ?
Br09 K00H K00F 88.81(8) 7_666 7_666 ?
Br09 K00H K00F 88.81(8) 9_556 7_666 ?
Br09 K00H K00F 88.81(8) 8_566 7_666 ?
K00F K00H K00E 93.04(7) 7_666 7_566 ?
Bi01 K00I K00E 88.02(7) . 3 ?
Bi01 K00I K00E 88.02(7) . 2 ?
Bi01 K00I K00E 88.02(7) . . ?
Bi01 K00I K00G 180.0 . . ?
Br06 K00I Bi01 130.73(7) 3 . ?
Br06 K00I Bi01 130.73(7) 2 . ?
Br06 K00I Bi01 130.73(7) . . ?
Br06 K00I Br06 82.03(11) . 2 ?
Br06 K00I Br06 82.03(11) . 3 ?
Br06 K00I Br06 82.03(11) 3 2 ?
Br06 K00I Br0B 122.93(3) 3 3 ?
Br06 K00I Br0B 122.93(4) . . ?
Br06 K00I Br0B 91.47(3) 3 . ?
Br06 K00I Br0B 153.24(5) 2 . ?
Br06 K00I Br0B 122.93(3) 2 2 ?
Br06 K00I Br0B 153.24(5) 3 2 ?
Br06 K00I Br0B 91.47(3) . 2 ?
Br06 K00I Br0B 91.47(3) 2 3 ?
Br06 K00I Br0B 153.24(5) . 3 ?
Br06 K00I K00E 124.84(9) 3 . ?
Br06 K00I K00E 101.55(6) . 3 ?
Br06 K00I K00E 45.26(4) 2 2 ?
Br06 K00I K00E 45.26(4) . . ?
Br06 K00I K00E 124.84(9) 2 3 ?
Br06 K00I K00E 45.26(4) 3 3 ?
Br06 K00I K00E 101.55(6) 2 . ?
Br06 K00I K00E 124.84(9) . 2 ?
Br06 K00I K00E 101.55(6) 3 2 ?
Br06 K00I K00G 49.27(7) . . ?
Br06 K00I K00G 49.27(7) 3 . ?
Br06 K00I K00G 49.27(7) 2 . ?
Br0B K00I Bi01 41.67(6) 3 . ?
Br0B K00I Bi01 41.67(6) . . ?
Br0B K00I Bi01 41.67(6) 2 . ?
Br0B K00I Br0B 70.31(10) . 2 ?
Br0B K00I Br0B 70.31(10) . 3 ?
Br0B K00I Br0B 70.31(10) 2 3 ?
Br0B K00I K00E 103.42(8) . . ?
Br0B K00I K00E 112.06(9) . 2 ?
Br0B K00I K00E 112.06(9) 3 . ?
Br0B K00I K00E 46.76(4) . 3 ?
Br0B K00I K00E 103.42(8) 3 3 ?
Br0B K00I K00E 46.76(4) 3 2 ?
Br0B K00I K00E 103.42(8) 2 2 ?
Br0B K00I K00E 112.06(9) 2 3 ?
Br0B K00I K00E 46.76(4) 2 . ?
Br0B K00I K00G 138.33(6) 2 . ?
Br0B K00I K00G 138.33(6) 3 . ?
Br0B K00I K00G 138.33(6) . . ?
K00E K00I K00E 119.881(9) . 3 ?
K00E K00I K00E 119.882(9) . 2 ?
K00E K00I K00E 119.882(9) 2 3 ?
K00G K00I K00E 91.98(7) . 3 ?
K00G K00I K00E 91.98(7) . . ?
K00G K00I K00E 91.98(7) . 2 ?
Br08 K00J Br09 78.50(9) 7_666 . ?
Br08 K00J Br0B 160.03(14) 7_666 2 ?
Br08 K00J Br0B 119.11(9) 7_666 . ?
Br08 K00J Br0B 134.08(12) 7_666 9_556 ?
Br08 K00J Br0C 71.79(7) 7_666 8_556 ?
Br08 K00J Br0C 114.72(10) 7_666 . ?
Br08 K00J K00J 144.90(11) 7_666 9_556 ?
Br08 K00J K00J 99.14(8) 7_666 8_556 ?
Br09 K00J Br0B 127.77(10) . 9_556 ?
Br09 K00J Br0B 61.01(7) . . ?
Br09 K00J Br0B 86.35(9) . 2 ?
Br09 K00J K00J 130.94(10) . 9_556 ?
Br09 K00J K00J 92.58(8) . 8_556 ?
Br0B K00J Br0B 62.32(6) . 2 ?
Br0B K00J Br0B 66.92(7) 9_556 . ?
Br0B K00J Br0B 65.79(7) 9_556 2 ?
Br0B K00J K00J 94.43(4) 2 8_556 ?
Br0B K00J K00J 50.09(7) 9_556 8_556 ?
Br0B K00J K00J 48.44(7) 9_556 9_556 ?
Br0B K00J K00J 94.55(4) . 9_556 ?
Br0B K00J K00J 45.41(3) . 8_556 ?
Br0B K00J K00J 45.29(3) 2 9_556 ?
Br0C K00J Br09 114.08(12) . . ?
Br0C K00J Br09 115.77(9) 8_556 . ?
Br0C K00J Br0B 60.05(5) . 2 ?
Br0C K00J Br0B 127.23(11) 8_556 2 ?
Br0C K00J Br0B 86.46(8) 8_556 . ?
Br0C K00J Br0B 89.90(9) . 9_556 ?
Br0C K00J Br0B 122.37(9) . . ?
Br0C K00J Br0B 62.97(8) 8_556 9_556 ?
Br0C K00J Br0C 129.94(13) . 8_556 ?
Br0C K00J K00J 41.83(6) . 9_556 ?
Br0C K00J K00J 139.82(13) . 8_556 ?
Br0C K00J K00J 41.39(8) 8_556 8_556 ?
Br0C K00J K00J 103.04(15) 8_556 9_556 ?
K00J K00J K00J 98.01(12) 8_556 9_556 ?

_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 5.299
_oxdiff_exptl_absorpt_empirical_full_min 0.317
