# Electronic Supplementary Material (ESI) for ChemComm.
# 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_fw290_5_abs
_audit_block_doi                 10.25505/fiz.icsd.cc2132py
_database_code_depnum_ccdc_archive 'CCDC 1879799'
loop_
_audit_author_name
_audit_author_address
'Fengxia Wei'
;institute of materials research and engineering, A*STAR
Singapore
;
_audit_update_record             
;
2018-11-19 deposited with the CCDC.	2019-03-05 downloaded from the CCDC.
;
_audit_creation_date             2017-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(Ag2 Br12 Cs4 Sb2)'
_chemical_formula_sum            'Ag Br6 Cs2 Sb'
_chemical_formula_weight         975.06
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Cs2 Ag Sb Br6'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 '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'
Cs Cs -0.3680 2.1192 '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'

_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      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'x, -z, y'
'x, -y, -z'
'x, z, -y'
'z, y, -x'
'-x, y, -z'
'-z, y, x'
'z, x, y'
'y, z, x'
'-y, -z, x'
'z, -x, -y'
'-y, z, -x'
'-z, -x, y'
'-z, x, -y'
'y, -z, -x'
'y, x, -z'
'-y, -x, -z'
'-x, z, y'
'-x, -z, -y'
'z, -y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'y, -x+1/2, z+1/2'
'x, -z+1/2, y+1/2'
'x, -y+1/2, -z+1/2'
'x, z+1/2, -y+1/2'
'z, y+1/2, -x+1/2'
'-x, y+1/2, -z+1/2'
'-z, y+1/2, x+1/2'
'z, x+1/2, y+1/2'
'y, z+1/2, x+1/2'
'-y, -z+1/2, x+1/2'
'z, -x+1/2, -y+1/2'
'-y, z+1/2, -x+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, -z+1/2, -x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'z, -y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-y+1/2, x, z+1/2'
'-x+1/2, -y, z+1/2'
'y+1/2, -x, z+1/2'
'x+1/2, -z, y+1/2'
'x+1/2, -y, -z+1/2'
'x+1/2, z, -y+1/2'
'z+1/2, y, -x+1/2'
'-x+1/2, y, -z+1/2'
'-z+1/2, y, x+1/2'
'z+1/2, x, y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, -z, x+1/2'
'z+1/2, -x, -y+1/2'
'-y+1/2, z, -x+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, -z, -x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-y+1/2, x+1/2, z'
'-x+1/2, -y+1/2, z'
'y+1/2, -x+1/2, z'
'x+1/2, -z+1/2, y'
'x+1/2, -y+1/2, -z'
'x+1/2, z+1/2, -y'
'z+1/2, y+1/2, -x'
'-x+1/2, y+1/2, -z'
'-z+1/2, y+1/2, x'
'z+1/2, x+1/2, y'
'y+1/2, z+1/2, x'
'-y+1/2, -z+1/2, x'
'z+1/2, -x+1/2, -y'
'-y+1/2, z+1/2, -x'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, -z+1/2, -x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'z+1/2, -y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'y, -x, -z'
'x, y, -z'
'-y, x, -z'
'-x, z, -y'
'-x, y, z'
'-x, -z, y'
'-z, -y, x'
'x, -y, z'
'z, -y, -x'
'-z, -x, -y'
'-y, -z, -x'
'y, z, -x'
'-z, x, y'
'y, -z, x'
'z, x, -y'
'z, -x, y'
'-y, z, x'
'-y, -x, z'
'y, x, z'
'x, -z, -y'
'x, z, y'
'-z, y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'-y, x+1/2, -z+1/2'
'-x, z+1/2, -y+1/2'
'-x, y+1/2, z+1/2'
'-x, -z+1/2, y+1/2'
'-z, -y+1/2, x+1/2'
'x, -y+1/2, z+1/2'
'z, -y+1/2, -x+1/2'
'-z, -x+1/2, -y+1/2'
'-y, -z+1/2, -x+1/2'
'y, z+1/2, -x+1/2'
'-z, x+1/2, y+1/2'
'y, -z+1/2, x+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, z+1/2, x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-z, y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'y+1/2, -x, -z+1/2'
'x+1/2, y, -z+1/2'
'-y+1/2, x, -z+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, y, z+1/2'
'-x+1/2, -z, y+1/2'
'-z+1/2, -y, x+1/2'
'x+1/2, -y, z+1/2'
'z+1/2, -y, -x+1/2'
'-z+1/2, -x, -y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, z, -x+1/2'
'-z+1/2, x, y+1/2'
'y+1/2, -z, x+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, z, x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'y+1/2, -x+1/2, -z'
'x+1/2, y+1/2, -z'
'-y+1/2, x+1/2, -z'
'-x+1/2, z+1/2, -y'
'-x+1/2, y+1/2, z'
'-x+1/2, -z+1/2, y'
'-z+1/2, -y+1/2, x'
'x+1/2, -y+1/2, z'
'z+1/2, -y+1/2, -x'
'-z+1/2, -x+1/2, -y'
'-y+1/2, -z+1/2, -x'
'y+1/2, z+1/2, -x'
'-z+1/2, x+1/2, y'
'y+1/2, -z+1/2, x'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, z+1/2, x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-z+1/2, y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   11.1583(7)
_cell_length_b                   11.1583(7)
_cell_length_c                   11.1583(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1389.3(2)
_cell_formula_units_Z            3.99936
_cell_measurement_reflns_used    309
_cell_measurement_temperature    298.1(6)
_cell_measurement_theta_max      27.8380
_cell_measurement_theta_min      3.1240
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    25.723
_exptl_absorpt_correction_T_max  0.346
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    4.661
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.1392
_exptl_crystal_size_mid          0.1120
_exptl_crystal_size_min          0.0447
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            738
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.909
_diffrn_reflns_theta_min         3.162
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.1(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1183
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -49.00   54.00   1.0000  144.6500
omega____ theta____ kappa____ phi______ frames
    -      -27.1232   37.0000  150.0000 103

#__ type_ start__ end____ width___ exp.time_
  2 omega -113.00  -79.00   1.0000  144.6500
omega____ theta____ kappa____ phi______ frames
    -      -27.1232    0.0000   30.0000 34
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0497872000
_diffrn_orient_matrix_UB_12      -0.0312295000
_diffrn_orient_matrix_UB_13      0.0241595000
_diffrn_orient_matrix_UB_21      0.0393064000
_diffrn_orient_matrix_UB_22      0.0359681000
_diffrn_orient_matrix_UB_23      -0.0345650000
_diffrn_orient_matrix_UB_31      0.0032819000
_diffrn_orient_matrix_UB_32      0.0421255000
_diffrn_orient_matrix_UB_33      0.0476033000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                101
_reflns_number_total             115
_reflns_odcompleteness_completeness 100.00
_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, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.816
_refine_diff_density_min         -3.422
_refine_diff_density_rms         0.275
_refine_ls_extinction_coef       0.00022(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.318
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     8
_refine_ls_number_reflns         115
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0479
_refine_ls_restrained_S_all      1.318
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+180.8997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1134
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_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
Sb1 Sb 0.5000 0.0000 0.0000 0.0232(12) Uani 1 48 d S T P . .
Cs2 Cs 0.7500 0.7500 0.2500 0.0460(11) Uani 1 24 d S T P . .
Ag3 Ag 0.5000 0.5000 0.0000 0.0336(15) Uani 1 48 d S T P . .
Br5 Br 0.5000 0.2465(3) 0.0000 0.0450(10) Uani 1 8 d S T P . .


_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
Sb1 Br5 2.751(4) . ?
Sb1 Br5 2.751(4) 74_545 ?
Sb1 Br5 2.751(4) 170 ?
Sb1 Br5 2.751(4) 97_655 ?
Sb1 Br5 2.751(4) 101_655 ?
Sb1 Br5 2.751(4) 5 ?
Cs2 Br5 3.9452(2) 146_565 ?
Cs2 Br5 3.9452(2) 170_565 ?
Cs2 Br5 3.9452(2) 125_655 ?
Cs2 Br5 3.9452(2) 145_665 ?
Cs2 Br5 3.9452(2) 25 ?
Cs2 Br5 3.9452(2) 149_665 ?
Cs2 Br5 3.9452(2) 26_655 ?
Cs2 Br5 3.9452(2) 73 ?
Cs2 Br5 3.9452(2) 2_655 ?
Cs2 Br5 3.9452(2) 97_665 ?
Cs2 Br5 3.9452(2) 5_565 ?
Cs2 Br5 3.9452(2) 77 ?
Ag3 Br5 2.828(4) 125_655 ?
Ag3 Br5 2.828(4) 97_665 ?
Ag3 Br5 2.828(4) . ?
Ag3 Br5 2.828(4) 98_565 ?
Ag3 Br5 2.828(4) 29_554 ?
Ag3 Br5 2.828(4) 2_655 ?
Br5 Cs2 3.9452(2) 145_665 ?
Br5 Cs2 3.9452(2) 97_665 ?
Br5 Cs2 3.9452(2) 25_544 ?
Br5 Cs2 3.9452(2) 73_445 ?

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
Br5 Sb1 Br5 90.0 . 101_655 ?
Br5 Sb1 Br5 90.0 101_655 74_545 ?
Br5 Sb1 Br5 90.0 . 170 ?
Br5 Sb1 Br5 180.0 74_545 170 ?
Br5 Sb1 Br5 90.0 97_655 74_545 ?
Br5 Sb1 Br5 90.0 74_545 5 ?
Br5 Sb1 Br5 180.0 . 97_655 ?
Br5 Sb1 Br5 90.0 97_655 170 ?
Br5 Sb1 Br5 90.0 . 5 ?
Br5 Sb1 Br5 180.0 101_655 5 ?
Br5 Sb1 Br5 90.0 101_655 97_655 ?
Br5 Sb1 Br5 90.0 97_655 5 ?
Br5 Sb1 Br5 90.0 101_655 170 ?
Br5 Sb1 Br5 90.0 . 74_545 ?
Br5 Sb1 Br5 90.0 170 5 ?
Br5 Cs2 Br5 90.006(1) 2_655 146_565 ?
Br5 Cs2 Br5 59.08(8) 26_655 145_665 ?
Br5 Cs2 Br5 60.92(8) 25 5_565 ?
Br5 Cs2 Br5 59.08(8) 25 146_565 ?
Br5 Cs2 Br5 119.997(1) 149_665 97_665 ?
Br5 Cs2 Br5 119.997(1) 125_655 170_565 ?
Br5 Cs2 Br5 119.997(1) 125_655 73 ?
Br5 Cs2 Br5 59.08(8) 97_665 170_565 ?
Br5 Cs2 Br5 119.997(1) 2_655 145_665 ?
Br5 Cs2 Br5 59.08(8) 5_565 170_565 ?
Br5 Cs2 Br5 60.92(8) 125_655 97_665 ?
Br5 Cs2 Br5 178.87(10) 26_655 2_655 ?
Br5 Cs2 Br5 119.997(1) 77 25 ?
Br5 Cs2 Br5 59.08(8) 149_665 145_665 ?
Br5 Cs2 Br5 119.997(1) 125_655 145_665 ?
Br5 Cs2 Br5 178.87(10) 149_665 125_655 ?
Br5 Cs2 Br5 90.006(1) 149_665 77 ?
Br5 Cs2 Br5 59.08(8) 149_665 26_655 ?
Br5 Cs2 Br5 90.006(1) 145_665 73 ?
Br5 Cs2 Br5 119.997(1) 125_655 26_655 ?
Br5 Cs2 Br5 59.08(8) 97_665 5_565 ?
Br5 Cs2 Br5 119.997(1) 149_665 2_655 ?
Br5 Cs2 Br5 119.997(1) 26_655 77 ?
Br5 Cs2 Br5 60.92(8) 125_655 2_655 ?
Br5 Cs2 Br5 90.006(1) 149_665 5_565 ?
Br5 Cs2 Br5 119.997(1) 5_565 146_565 ?
Br5 Cs2 Br5 60.92(8) 145_665 77 ?
Br5 Cs2 Br5 119.997(1) 73 5_565 ?
Br5 Cs2 Br5 178.87(10) 145_665 97_665 ?
Br5 Cs2 Br5 90.006(1) 2_655 170_565 ?
Br5 Cs2 Br5 119.997(1) 149_665 25 ?
Br5 Cs2 Br5 90.006(1) 97_665 73 ?
Br5 Cs2 Br5 59.08(8) 77 73 ?
Br5 Cs2 Br5 119.997(1) 25 170_565 ?
Br5 Cs2 Br5 60.92(8) 26_655 25 ?
Br5 Cs2 Br5 90.006(1) 125_655 5_565 ?
Br5 Cs2 Br5 60.92(8) 26_655 5_565 ?
Br5 Cs2 Br5 90.006(1) 145_665 25 ?
Br5 Cs2 Br5 90.006(1) 97_665 25 ?
Br5 Cs2 Br5 120.0 149_665 146_565 ?
Br5 Cs2 Br5 60.92(8) 2_655 97_665 ?
Br5 Cs2 Br5 90.006(1) 26_655 146_565 ?
Br5 Cs2 Br5 60.92(8) 149_665 73 ?
Br5 Cs2 Br5 60.92(8) 145_665 146_565 ?
Br5 Cs2 Br5 119.997(1) 26_655 73 ?
Br5 Cs2 Br5 60.92(8) 77 146_565 ?
Br5 Cs2 Br5 90.006(1) 125_655 77 ?
Br5 Cs2 Br5 120.0 73 146_565 ?
Br5 Cs2 Br5 59.08(8) 125_655 146_565 ?
Br5 Cs2 Br5 60.92(8) 149_665 170_565 ?
Br5 Cs2 Br5 59.08(8) 2_655 77 ?
Br5 Cs2 Br5 90.006(1) 26_655 170_565 ?
Br5 Cs2 Br5 59.08(8) 2_655 73 ?
Br5 Cs2 Br5 120.0 145_665 170_565 ?
Br5 Cs2 Br5 119.997(1) 97_665 77 ?
Br5 Cs2 Br5 120.0 77 170_565 ?
Br5 Cs2 Br5 119.997(1) 2_655 5_565 ?
Br5 Cs2 Br5 60.92(8) 73 170_565 ?
Br5 Cs2 Br5 59.08(8) 125_655 25 ?
Br5 Cs2 Br5 178.87(10) 146_565 170_565 ?
Br5 Cs2 Br5 119.997(1) 97_665 146_565 ?
Br5 Cs2 Br5 119.997(1) 145_665 5_565 ?
Br5 Cs2 Br5 119.997(1) 2_655 25 ?
Br5 Cs2 Br5 119.997(1) 26_655 97_665 ?
Br5 Cs2 Br5 178.87(10) 25 73 ?
Br5 Cs2 Br5 178.87(10) 77 5_565 ?
Br5 Ag3 Br5 180.0 125_655 29_554 ?
Br5 Ag3 Br5 90.0 29_554 2_655 ?
Br5 Ag3 Br5 90.0 125_655 98_565 ?
Br5 Ag3 Br5 180.0 2_655 98_565 ?
Br5 Ag3 Br5 90.0 97_665 2_655 ?
Br5 Ag3 Br5 90.0 2_655 . ?
Br5 Ag3 Br5 90.0 125_655 97_665 ?
Br5 Ag3 Br5 90.0 97_665 98_565 ?
Br5 Ag3 Br5 90.0 125_655 . ?
Br5 Ag3 Br5 90.0 29_554 . ?
Br5 Ag3 Br5 90.0 29_554 97_665 ?
Br5 Ag3 Br5 180.0 97_665 . ?
Br5 Ag3 Br5 90.0 29_554 98_565 ?
Br5 Ag3 Br5 90.0 125_655 2_655 ?
Br5 Ag3 Br5 90.0 98_565 . ?
Sb1 Br5 Cs2 90.56(5) . 145_665 ?
Sb1 Br5 Cs2 90.56(5) . 25_544 ?
Sb1 Br5 Cs2 90.56(5) . 73_445 ?
Sb1 Br5 Cs2 90.56(5) . 97_665 ?
Sb1 Br5 Ag3 180.0 . . ?
Cs2 Br5 Cs2 89.994(1) 97_665 25_544 ?
Cs2 Br5 Cs2 89.994(1) 97_665 73_445 ?
Cs2 Br5 Cs2 89.994(1) 145_665 73_445 ?
Cs2 Br5 Cs2 89.994(1) 145_665 25_544 ?
Cs2 Br5 Cs2 178.87(10) 145_665 97_665 ?
Cs2 Br5 Cs2 178.87(10) 25_544 73_445 ?
Ag3 Br5 Cs2 89.44(5) . 73_445 ?
Ag3 Br5 Cs2 89.44(5) . 25_544 ?
Ag3 Br5 Cs2 89.44(5) . 145_665 ?
Ag3 Br5 Cs2 89.44(5) . 97_665 ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 -5 -4 0.0319 -0.0439 -4.9859 -3.9746 0.0575 -0.0437 -0.3994
0 5 3 0.0192 0.0427 4.9691 2.9699 -0.0813 0.0778 0.3508
-1 2 -5 0.0715 -0.9901 1.8826 -5.0419 -0.2299 0.2031 -0.1640
2 -5 4 0.0688 1.9654 -4.8497 4.0641 0.3475 -0.2377 -0.0044
5 -5 -3 0.0244 4.9573 -4.9648 -2.9684 0.3301 0.1189 -0.3342
-5 5 3 0.0204 -4.9573 4.9648 2.9684 -0.3301 -0.1189 0.3342
-5 0 -3 0.0271 -5.0035 -0.0547 -3.0157 -0.3203 -0.0944 -0.1623
-2 -1 5 0.0400 -2.0021 -0.9014 5.0322 0.0500 -0.2851 0.1950
2 -5 -1 0.0301 1.9596 -4.9338 -0.9598 0.2285 -0.0673 -0.2471
5 4 -1 0.0472 5.0304 3.9224 -1.0389 0.1029 0.3747 0.1323

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_fw290_vt_4_after450
_audit_block_doi                 10.25505/fiz.icsd.cc2132r0
_database_code_depnum_ccdc_archive 'CCDC 1879801'
loop_
_audit_author_name
_audit_author_address
'Fengxia Wei' 'institute of materials research and engineering, A*STAR'
_audit_update_record             
;
2018-11-19 deposited with the CCDC.	2019-03-05 downloaded from the CCDC.
;
_audit_creation_date             2018-10-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(Ag2 Br12 Cs4 Sb2)'
_chemical_formula_sum            'Ag Br6 Cs2 Sb'
_chemical_formula_weight         975.06
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Cs2 Ag Sb Br6'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 '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'
Cs Cs -0.3680 2.1192 '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'

_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      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'x, -z, y'
'x, -y, -z'
'x, z, -y'
'z, y, -x'
'-x, y, -z'
'-z, y, x'
'z, x, y'
'y, z, x'
'-y, -z, x'
'z, -x, -y'
'-y, z, -x'
'-z, -x, y'
'-z, x, -y'
'y, -z, -x'
'y, x, -z'
'-y, -x, -z'
'-x, z, y'
'-x, -z, -y'
'z, -y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'y, -x+1/2, z+1/2'
'x, -z+1/2, y+1/2'
'x, -y+1/2, -z+1/2'
'x, z+1/2, -y+1/2'
'z, y+1/2, -x+1/2'
'-x, y+1/2, -z+1/2'
'-z, y+1/2, x+1/2'
'z, x+1/2, y+1/2'
'y, z+1/2, x+1/2'
'-y, -z+1/2, x+1/2'
'z, -x+1/2, -y+1/2'
'-y, z+1/2, -x+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, -z+1/2, -x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'z, -y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-y+1/2, x, z+1/2'
'-x+1/2, -y, z+1/2'
'y+1/2, -x, z+1/2'
'x+1/2, -z, y+1/2'
'x+1/2, -y, -z+1/2'
'x+1/2, z, -y+1/2'
'z+1/2, y, -x+1/2'
'-x+1/2, y, -z+1/2'
'-z+1/2, y, x+1/2'
'z+1/2, x, y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, -z, x+1/2'
'z+1/2, -x, -y+1/2'
'-y+1/2, z, -x+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, -z, -x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-y+1/2, x+1/2, z'
'-x+1/2, -y+1/2, z'
'y+1/2, -x+1/2, z'
'x+1/2, -z+1/2, y'
'x+1/2, -y+1/2, -z'
'x+1/2, z+1/2, -y'
'z+1/2, y+1/2, -x'
'-x+1/2, y+1/2, -z'
'-z+1/2, y+1/2, x'
'z+1/2, x+1/2, y'
'y+1/2, z+1/2, x'
'-y+1/2, -z+1/2, x'
'z+1/2, -x+1/2, -y'
'-y+1/2, z+1/2, -x'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, -z+1/2, -x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'z+1/2, -y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'y, -x, -z'
'x, y, -z'
'-y, x, -z'
'-x, z, -y'
'-x, y, z'
'-x, -z, y'
'-z, -y, x'
'x, -y, z'
'z, -y, -x'
'-z, -x, -y'
'-y, -z, -x'
'y, z, -x'
'-z, x, y'
'y, -z, x'
'z, x, -y'
'z, -x, y'
'-y, z, x'
'-y, -x, z'
'y, x, z'
'x, -z, -y'
'x, z, y'
'-z, y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'-y, x+1/2, -z+1/2'
'-x, z+1/2, -y+1/2'
'-x, y+1/2, z+1/2'
'-x, -z+1/2, y+1/2'
'-z, -y+1/2, x+1/2'
'x, -y+1/2, z+1/2'
'z, -y+1/2, -x+1/2'
'-z, -x+1/2, -y+1/2'
'-y, -z+1/2, -x+1/2'
'y, z+1/2, -x+1/2'
'-z, x+1/2, y+1/2'
'y, -z+1/2, x+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, z+1/2, x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-z, y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'y+1/2, -x, -z+1/2'
'x+1/2, y, -z+1/2'
'-y+1/2, x, -z+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, y, z+1/2'
'-x+1/2, -z, y+1/2'
'-z+1/2, -y, x+1/2'
'x+1/2, -y, z+1/2'
'z+1/2, -y, -x+1/2'
'-z+1/2, -x, -y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, z, -x+1/2'
'-z+1/2, x, y+1/2'
'y+1/2, -z, x+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, z, x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'y+1/2, -x+1/2, -z'
'x+1/2, y+1/2, -z'
'-y+1/2, x+1/2, -z'
'-x+1/2, z+1/2, -y'
'-x+1/2, y+1/2, z'
'-x+1/2, -z+1/2, y'
'-z+1/2, -y+1/2, x'
'x+1/2, -y+1/2, z'
'z+1/2, -y+1/2, -x'
'-z+1/2, -x+1/2, -y'
'-y+1/2, -z+1/2, -x'
'y+1/2, z+1/2, -x'
'-z+1/2, x+1/2, y'
'y+1/2, -z+1/2, x'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, z+1/2, x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-z+1/2, y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   11.2166(7)
_cell_length_b                   11.2166(7)
_cell_length_c                   11.2166(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1411.2(3)
_cell_formula_units_Z            3.99936
_cell_measurement_reflns_used    67
_cell_measurement_temperature    300.1(9)
_cell_measurement_theta_max      26.0280
_cell_measurement_theta_min      3.6360
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    25.324
_exptl_absorpt_correction_T_max  0.326
_exptl_absorpt_correction_T_min  0.050
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.589
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.1392
_exptl_crystal_size_mid          0.1120
_exptl_crystal_size_min          0.0447
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1004
_diffrn_reflns_av_unetI/netI     0.0677
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.934
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            314
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.960
_diffrn_reflns_theta_min         3.146
_diffrn_ambient_temperature      300.1(9)
_diffrn_detector_area_resol_mean 16.1183
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -49.00    6.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -      -26.3730   37.0000  150.0000 55
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0069589000
_diffrn_orient_matrix_UB_12      0.0563895000
_diffrn_orient_matrix_UB_13      0.0271821000
_diffrn_orient_matrix_UB_21      -0.0350801000
_diffrn_orient_matrix_UB_22      0.0194095000
_diffrn_orient_matrix_UB_23      -0.0490137000
_diffrn_orient_matrix_UB_31      -0.0522913000
_diffrn_orient_matrix_UB_32      -0.0206364000
_diffrn_orient_matrix_UB_33      0.0293238000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                62
_reflns_number_total             113
_reflns_odcompleteness_completeness 100.00
_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, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.756
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.186
_refine_ls_extinction_coef       0.00019(6)
_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   0.913
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     8
_refine_ls_number_reflns         113
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      0.913
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0935
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_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
Br1 Br 0.2475(6) 0.500000 0.500000 0.0542(10) Uani 1 8 d S T P . .
Cs0A Cs 0.250000 0.250000 0.250000 0.0529(9) Uani 1 24 d S T P . .
Ag2 Ag 0.500000 0.500000 0.500000 0.033(2) Uani 1 48 d S T P . .
Sb3 Sb 0.000000 0.500000 0.500000 0.0268(18) Uani 1 48 d S T P . .


_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
Br1 Cs0A 3.9658(3) 145_565 ?
Br1 Cs0A 3.9658(3) . ?
Br1 Cs0A 3.9658(3) 25 ?
Br1 Cs0A 3.9658(3) 169_556 ?
Br1 Ag2 2.832(6) . ?
Br1 Sb3 2.776(6) . ?

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
Cs0A Br1 Cs0A 179.20(18) 25 . ?
Cs0A Br1 Cs0A 89.997(1) . 145_565 ?
Cs0A Br1 Cs0A 89.997(1) 25 145_565 ?
Cs0A Br1 Cs0A 89.997(1) 25 169_556 ?
Cs0A Br1 Cs0A 179.20(18) 169_556 145_565 ?
Cs0A Br1 Cs0A 89.997(1) . 169_556 ?
Ag2 Br1 Cs0A 89.60(9) . 169_556 ?
Ag2 Br1 Cs0A 89.60(9) . 145_565 ?
Ag2 Br1 Cs0A 89.60(9) . 25 ?
Ag2 Br1 Cs0A 89.60(9) . . ?
Sb3 Br1 Cs0A 90.40(9) . . ?
Sb3 Br1 Cs0A 90.40(9) . 145_565 ?
Sb3 Br1 Cs0A 90.40(9) . 25 ?
Sb3 Br1 Cs0A 90.40(9) . 169_556 ?
Sb3 Br1 Ag2 180.0 . . ?
Br1 Cs0A Br1 60.65(15) 50_554 56_455 ?
Br1 Cs0A Br1 119.998(1) 25_544 2_655 ?
Br1 Cs0A Br1 60.65(15) 122 32_545 ?
Br1 Cs0A Br1 119.998(1) 122 56_455 ?
Br1 Cs0A Br1 119.998(1) 176 . ?
Br1 Cs0A Br1 59.35(15) 104_665 145_565 ?
Br1 Cs0A Br1 119.998(1) 169_556 122 ?
Br1 Cs0A Br1 90.003(2) . 145_565 ?
Br1 Cs0A Br1 179.20(18) 50_554 2_655 ?
Br1 Cs0A Br1 119.998(1) 32_545 145_565 ?
Br1 Cs0A Br1 60.65(15) 104_665 . ?
Br1 Cs0A Br1 59.35(15) 25_544 50_554 ?
Br1 Cs0A Br1 119.998(1) 170_456 32_545 ?
Br1 Cs0A Br1 119.998(1) 176 2_655 ?
Br1 Cs0A Br1 60.65(15) 104_665 2_655 ?
Br1 Cs0A Br1 179.20(18) 176 104_665 ?
Br1 Cs0A Br1 60.65(15) 176 169_556 ?
Br1 Cs0A Br1 59.35(15) 176 25_544 ?
Br1 Cs0A Br1 90.003(1) 2_655 170_456 ?
Br1 Cs0A Br1 119.998(1) 104_665 25_544 ?
Br1 Cs0A Br1 119.999(1) . 32_545 ?
Br1 Cs0A Br1 59.35(15) 176 50_554 ?
Br1 Cs0A Br1 90.003(1) 25_544 169_556 ?
Br1 Cs0A Br1 119.998(1) 104_665 50_554 ?
Br1 Cs0A Br1 90.003(1) 176 32_545 ?
Br1 Cs0A Br1 119.998(1) 104_665 170_456 ?
Br1 Cs0A Br1 59.35(15) 2_655 169_556 ?
Br1 Cs0A Br1 179.20(18) 32_545 56_455 ?
Br1 Cs0A Br1 60.65(15) 2_655 . ?
Br1 Cs0A Br1 90.003(2) 50_554 170_456 ?
Br1 Cs0A Br1 119.998(1) 176 122 ?
Br1 Cs0A Br1 59.34(15) . 56_455 ?
Br1 Cs0A Br1 60.65(15) 169_556 170_456 ?
Br1 Cs0A Br1 179.20(18) 122 170_456 ?
Br1 Cs0A Br1 60.65(15) 25_544 122 ?
Br1 Cs0A Br1 60.65(15) 50_554 145_565 ?
Br1 Cs0A Br1 60.65(15) 25_544 32_545 ?
Br1 Cs0A Br1 119.998(1) 50_554 32_545 ?
Br1 Cs0A Br1 119.999(1) . 122 ?
Br1 Cs0A Br1 90.003(1) 176 56_455 ?
Br1 Cs0A Br1 119.998(1) 50_554 . ?
Br1 Cs0A Br1 119.998(1) 25_544 56_455 ?
Br1 Cs0A Br1 60.65(15) 176 170_456 ?
Br1 Cs0A Br1 119.998(1) 2_655 56_455 ?
Br1 Cs0A Br1 120.0 25_544 170_456 ?
Br1 Cs0A Br1 119.998(1) 169_556 56_455 ?
Br1 Cs0A Br1 119.998(1) 104_665 169_556 ?
Br1 Cs0A Br1 59.35(15) 170_456 56_455 ?
Br1 Cs0A Br1 59.34(15) . 170_456 ?
Br1 Cs0A Br1 119.998(1) 176 145_565 ?
Br1 Cs0A Br1 119.998(1) 50_554 169_556 ?
Br1 Cs0A Br1 90.003(1) 25_544 145_565 ?
Br1 Cs0A Br1 59.35(15) 169_556 32_545 ?
Br1 Cs0A Br1 119.998(1) 2_655 145_565 ?
Br1 Cs0A Br1 90.003(1) . 169_556 ?
Br1 Cs0A Br1 179.20(18) 169_556 145_565 ?
Br1 Cs0A Br1 90.003(1) 104_665 56_455 ?
Br1 Cs0A Br1 119.998(1) 170_456 145_565 ?
Br1 Cs0A Br1 59.35(15) 104_665 122 ?
Br1 Cs0A Br1 60.65(15) 56_455 145_565 ?
Br1 Cs0A Br1 90.003(2) 104_665 32_545 ?
Br1 Cs0A Br1 59.35(15) 2_655 32_545 ?
Br1 Cs0A Br1 90.003(1) 50_554 122 ?
Br1 Cs0A Br1 179.20(18) 25_544 . ?
Br1 Cs0A Br1 90.003(2) 2_655 122 ?
Br1 Cs0A Br1 59.35(15) 122 145_565 ?
Br1 Ag2 Br1 180.0 104_665 8_556 ?
Br1 Ag2 Br1 90.0 8_556 2_655 ?
Br1 Ag2 Br1 90.0 104_665 98_566 ?
Br1 Ag2 Br1 180.0 2_655 98_566 ?
Br1 Ag2 Br1 90.0 97_666 2_655 ?
Br1 Ag2 Br1 90.000(1) 2_655 . ?
Br1 Ag2 Br1 90.0 104_665 97_666 ?
Br1 Ag2 Br1 90.000(1) 97_666 98_566 ?
Br1 Ag2 Br1 90.000(1) 104_665 . ?
Br1 Ag2 Br1 90.0 8_556 . ?
Br1 Ag2 Br1 90.000(1) 8_556 97_666 ?
Br1 Ag2 Br1 180.0 97_666 . ?
Br1 Ag2 Br1 90.0 8_556 98_566 ?
Br1 Ag2 Br1 90.0 104_665 2_655 ?
Br1 Ag2 Br1 90.0 98_566 . ?
Br1 Sb3 Br1 90.0 . 152_565 ?
Br1 Sb3 Br1 90.0 152_565 74 ?
Br1 Sb3 Br1 90.0 . 170_456 ?
Br1 Sb3 Br1 180.0 74 170_456 ?
Br1 Sb3 Br1 90.0 97_566 74 ?
Br1 Sb3 Br1 90.0 74 56_455 ?
Br1 Sb3 Br1 90.000(1) . 74 ?
Br1 Sb3 Br1 90.000(1) 97_566 170_456 ?
Br1 Sb3 Br1 90.0 . 56_455 ?
Br1 Sb3 Br1 180.0 152_565 56_455 ?
Br1 Sb3 Br1 90.0 152_565 97_566 ?
Br1 Sb3 Br1 90.0 97_566 56_455 ?
Br1 Sb3 Br1 90.0 170_456 56_455 ?
Br1 Sb3 Br1 90.0 152_565 170_456 ?
Br1 Sb3 Br1 180.0 . 97_566 ?

_olex2_submission_special_instructions 'No special instructions were received'
