# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_145
_database_code_depnum_ccdc_archive 'CCDC 2005524'
loop_
_audit_author_name
_audit_author_address
'Qi Wu'
;Hubei Normal University
China
;
_audit_update_record             
;
2020-05-23 deposited with the CCDC.	2020-05-28 downloaded from the CCDC.
;
_audit_creation_date             2020-05-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Br4 Cd4 I12 Rb8)'
_chemical_formula_sum            'Br Cd I3 Rb2'
_chemical_formula_weight         743.95
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           40
_space_group_name_H-M_alt        'A m a 2'
_space_group_name_Hall           'A 2 -2a'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y, z'
'-x+1/2, y, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   11.8183(10)
_cell_length_b                   12.1286(17)
_cell_length_c                   8.6206(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1235.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1275
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.6440
_cell_measurement_theta_min      2.8870
_shelx_estimated_absorpt_T_max   0.237
_shelx_estimated_absorpt_T_min   0.195
_exptl_absorpt_coefficient_mu    20.255
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
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    3.999
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2328
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.983
_diffrn_reflns_theta_min         2.899
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -73.00   3.00   0.50   38.14    --   20.00  54.00-180.00  152
  2  ω     50.00  77.00   0.50   38.14    --   20.00  54.00-180.00   54
  3  ω    -74.00  -8.00   0.50   38.14    --   20.00  54.00   0.00  132
  4  ω     83.00 108.00   0.50   38.14    --   20.00  54.00   0.00   50
  5  ω    -54.00  34.00   0.50   38.14    --   20.00  54.00  30.00  176
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0513018000
_diffrn_orient_matrix_UB_12      -0.0342358000
_diffrn_orient_matrix_UB_13      -0.0310678000
_diffrn_orient_matrix_UB_21      -0.0554327000
_diffrn_orient_matrix_UB_22      0.0037088000
_diffrn_orient_matrix_UB_23      0.0441308000
_diffrn_orient_matrix_UB_31      -0.0328404000
_diffrn_orient_matrix_UB_32      0.0472824000
_diffrn_orient_matrix_UB_33      -0.0260891000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.868
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                933
_reflns_number_total             1022
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_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         1.699
_refine_diff_density_min         -1.123
_refine_diff_density_rms         0.198
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.11(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         1022
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0345
_refine_ls_restrained_S_all      1.123
_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)+(0.0452P)²+12.9980P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.0944
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.89
 0.11
;
_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
I1 I 0.750000 0.0691(2) 0.5696(3) 0.0705(6) Uani 1 2 d S T P . .
I2 I 0.94188(9) 0.21365(13) 0.15735(15) 0.0582(4) Uani 1 1 d . . . . .
Cd1 Cd 0.750000 0.22599(16) 0.3407(2) 0.0450(5) Uani 1 2 d S T P . .
Rb1 Rb 0.750000 0.3148(4) 0.8430(4) 0.0816(10) Uani 1 2 d S T P . .
Rb2 Rb 0.500000 0.500000 0.3200(4) 0.0623(9) Uani 1 2 d S T P . .
Br1 Br 0.750000 0.4215(2) 0.4823(3) 0.0433(6) Uani 1 2 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
I1 Cd1 2.741(3) 4_655 ?
I1 Cd1 2.741(3) . ?
I1 Rb1 3.800(5) . ?
I1 Rb1 3.800(5) 4_655 ?
I1 Rb1 3.650(5) 5_544 ?
I1 Rb2 3.754(2) 7 ?
I1 Rb2 3.754(2) 5_545 ?
I2 Cd1 2.7684(15) . ?
I2 Cd1 2.7684(15) 4_655 ?
I2 Rb1 3.741(3) 1_554 ?
I2 Rb1 3.741(3) 4_654 ?
I2 Rb1 3.9926(19) 6_754 ?
I2 Rb2 3.808(2) 3_565 ?
I2 Rb2 3.808(2) 4_655 ?
I2 Rb2 3.955(3) 7_554 ?
Cd1 Cd1 0.000(4) 4_655 ?
Cd1 Rb1 4.462(4) . ?
Cd1 Br1 2.667(3) . ?
Rb1 Rb1 0.000(11) 4_655 ?
Rb1 Rb2 4.832(4) 7 ?
Rb1 Rb2 4.832(4) 5_545 ?
Rb1 Br1 3.367(4) . ?
Rb2 Rb2 0.000(7) 2_665 ?
Rb2 Br1 3.4053(18) . ?
Rb2 Br1 3.4052(18) 2_665 ?

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
Cd1 I1 Cd1 0.00(6) 4_655 . ?
Cd1 I1 Rb1 101.61(10) . 5_544 ?
Cd1 I1 Rb1 101.61(10) 4_655 5_544 ?
Cd1 I1 Rb1 84.36(9) 4_655 . ?
Cd1 I1 Rb1 84.36(9) . 4_655 ?
Cd1 I1 Rb1 84.36(9) 4_655 4_655 ?
Cd1 I1 Rb1 84.36(9) . . ?
Cd1 I1 Rb2 124.66(5) 4_655 5_545 ?
Cd1 I1 Rb2 124.66(5) . 5_545 ?
Cd1 I1 Rb2 124.66(5) 4_655 7 ?
Cd1 I1 Rb2 124.66(5) . 7 ?
Rb1 I1 Rb1 174.03(13) 5_544 . ?
Rb1 I1 Rb1 0.00(8) . 4_655 ?
Rb1 I1 Rb1 174.03(13) 5_544 4_655 ?
Rb1 I1 Rb2 96.85(6) 5_544 5_545 ?
Rb1 I1 Rb2 96.85(6) 5_544 7 ?
Rb2 I1 Rb1 79.54(6) 7 4_655 ?
Rb2 I1 Rb1 79.54(6) 7 . ?
Rb2 I1 Rb1 79.54(6) 5_545 . ?
Rb2 I1 Rb1 79.54(6) 5_545 4_655 ?
Rb2 I1 Rb2 103.84(9) 7 5_545 ?
Cd1 I2 Cd1 0.00(6) 4_655 . ?
Cd1 I2 Rb1 121.53(7) 4_655 6_754 ?
Cd1 I2 Rb1 84.23(6) 4_655 1_554 ?
Cd1 I2 Rb1 121.53(7) . 6_754 ?
Cd1 I2 Rb1 84.23(6) . 4_654 ?
Cd1 I2 Rb1 84.23(6) 4_655 4_654 ?
Cd1 I2 Rb1 84.23(6) . 1_554 ?
Cd1 I2 Rb2 83.58(6) 4_655 4_655 ?
Cd1 I2 Rb2 83.58(6) 4_655 3_565 ?
Cd1 I2 Rb2 126.70(6) . 7_554 ?
Cd1 I2 Rb2 83.58(6) . 3_565 ?
Cd1 I2 Rb2 126.70(6) 4_655 7_554 ?
Cd1 I2 Rb2 83.58(6) . 4_655 ?
Rb1 I2 Rb1 150.65(7) 1_554 6_754 ?
Rb1 I2 Rb1 150.65(7) 4_654 6_754 ?
Rb1 I2 Rb1 0.00(13) 4_654 1_554 ?
Rb1 I2 Rb2 77.73(7) 1_554 7_554 ?
Rb1 I2 Rb2 94.41(8) 4_654 4_655 ?
Rb1 I2 Rb2 94.41(8) 1_554 4_655 ?
Rb1 I2 Rb2 77.73(7) 4_654 7_554 ?
Rb1 I2 Rb2 94.41(8) 4_654 3_565 ?
Rb1 I2 Rb2 94.41(8) 1_554 3_565 ?
Rb2 I2 Rb1 76.51(7) 3_565 6_754 ?
Rb2 I2 Rb1 76.51(7) 4_655 6_754 ?
Rb2 I2 Rb1 94.57(6) 7_554 6_754 ?
Rb2 I2 Rb2 0.00(10) 3_565 4_655 ?
Rb2 I2 Rb2 146.82(8) 3_565 7_554 ?
Rb2 I2 Rb2 146.82(8) 4_655 7_554 ?
I1 Cd1 I2 111.93(6) . . ?
I1 Cd1 I2 111.93(6) . 4_655 ?
I1 Cd1 Rb1 57.95(9) . . ?
I2 Cd1 I2 109.99(8) 4_655 . ?
I2 Cd1 Rb1 124.56(4) 4_655 . ?
I2 Cd1 Rb1 124.56(4) . . ?
Cd1 Cd1 I1 0(10) 4_655 . ?
Cd1 Cd1 I2 0(10) 4_655 4_655 ?
Cd1 Cd1 I2 0(10) 4_655 . ?
Cd1 Cd1 Rb1 0(10) 4_655 . ?
Cd1 Cd1 Br1 0(10) 4_655 . ?
Br1 Cd1 I1 106.73(12) . . ?
Br1 Cd1 I2 108.03(6) . 4_655 ?
Br1 Cd1 I2 108.03(6) . . ?
Br1 Cd1 Rb1 48.78(9) . . ?
I1 Rb1 I1 174.03(13) 5 . ?
I1 Rb1 I2 106.72(7) 5 7_455 ?
I1 Rb1 I2 106.72(7) 5 6_755 ?
I1 Rb1 I2 83.65(7) 5 1_556 ?
I1 Rb1 I2 71.55(6) . 6_755 ?
I1 Rb1 I2 71.55(6) . 7_455 ?
I1 Rb1 I2 83.65(7) 5 4_656 ?
I1 Rb1 Cd1 136.33(11) 5 . ?
I1 Rb1 Cd1 37.70(5) . . ?
I1 Rb1 Cd1 114.23(11) . 1_556 ?
I1 Rb1 Cd1 71.74(7) 5 1_556 ?
I1 Rb1 Rb2 49.81(6) . 5_545 ?
I1 Rb1 Rb2 133.59(6) 5 5_545 ?
I1 Rb1 Rb2 49.81(6) . 7 ?
I1 Rb1 Rb2 133.59(6) 5 7 ?
I2 Rb1 I1 101.07(10) 4_656 . ?
I2 Rb1 I1 101.07(10) 1_556 . ?
I2 Rb1 I2 131.58(10) 7_455 6_755 ?
I2 Rb1 I2 74.63(7) 1_556 4_656 ?
I2 Rb1 I2 73.09(3) 1_556 6_755 ?
I2 Rb1 I2 73.09(3) 4_656 7_455 ?
I2 Rb1 I2 144.58(10) 1_556 7_455 ?
I2 Rb1 I2 144.58(10) 4_656 6_755 ?
I2 Rb1 Cd1 111.57(5) 6_755 1_556 ?
I2 Rb1 Cd1 38.50(4) 1_556 1_556 ?
I2 Rb1 Cd1 111.57(5) 7_455 1_556 ?
I2 Rb1 Cd1 65.80(5) 7_455 . ?
I2 Rb1 Cd1 128.60(8) 1_556 . ?
I2 Rb1 Cd1 38.50(4) 4_656 1_556 ?
I2 Rb1 Cd1 65.80(5) 6_755 . ?
I2 Rb1 Cd1 128.60(8) 4_656 . ?
I2 Rb1 Rb2 50.02(4) 7_455 5_545 ?
I2 Rb1 Rb2 53.12(6) 1_556 7 ?
I2 Rb1 Rb2 118.22(10) 7_455 7 ?
I2 Rb1 Rb2 98.12(9) 1_556 5_545 ?
I2 Rb1 Rb2 98.12(9) 4_656 7 ?
I2 Rb1 Rb2 53.12(6) 4_656 5_545 ?
I2 Rb1 Rb2 118.22(10) 6_755 5_545 ?
I2 Rb1 Rb2 50.02(4) 6_755 7 ?
Cd1 Rb1 Cd1 151.93(12) 1_556 . ?
Cd1 Rb1 Rb2 76.66(7) . 7 ?
Cd1 Rb1 Rb2 76.66(7) . 5_545 ?
Cd1 Rb1 Rb2 81.22(7) 1_556 7 ?
Cd1 Rb1 Rb2 81.22(7) 1_556 5_545 ?
Rb1 Rb1 I1 0(10) 4_655 . ?
Rb1 Rb1 I1 0(10) 4_655 5 ?
Rb1 Rb1 I2 0(10) 4_655 7_455 ?
Rb1 Rb1 I2 0(10) 4_655 1_556 ?
Rb1 Rb1 I2 0(10) 4_655 6_755 ?
Rb1 Rb1 I2 0(10) 4_655 4_656 ?
Rb1 Rb1 Cd1 0(10) 4_655 1_556 ?
Rb1 Rb1 Cd1 0(10) 4_655 . ?
Rb1 Rb1 Rb2 0(10) 4_655 5_545 ?
Rb1 Rb1 Rb2 0(10) 4_655 7 ?
Rb1 Rb1 Br1 0(10) 4_655 . ?
Rb2 Rb1 Rb2 75.39(6) 5_545 7 ?
Br1 Rb1 I1 99.77(12) . 5 ?
Br1 Rb1 I1 74.26(9) . . ?
Br1 Rb1 I2 70.32(5) . 6_755 ?
Br1 Rb1 I2 142.65(4) . 1_556 ?
Br1 Rb1 I2 70.32(5) . 7_455 ?
Br1 Rb1 I2 142.65(4) . 4_656 ?
Br1 Rb1 Cd1 171.51(14) . 1_556 ?
Br1 Rb1 Cd1 36.56(6) . . ?
Br1 Rb1 Rb2 105.40(9) . 7 ?
Br1 Rb1 Rb2 105.40(9) . 5_545 ?
I1 Rb2 I1 109.80(10) 6_654 5_554 ?
I1 Rb2 I2 81.36(6) 5_554 4_655 ?
I1 Rb2 I2 98.04(5) 6_654 7_455 ?
I1 Rb2 I2 74.14(6) 6_654 4_655 ?
I1 Rb2 I2 134.88(4) 5_554 7_455 ?
I1 Rb2 I2 74.14(6) 5_554 3_465 ?
I1 Rb2 I2 81.36(6) 6_654 3_465 ?
I1 Rb2 I2 134.88(4) 6_654 8_655 ?
I1 Rb2 I2 98.04(5) 5_554 8_655 ?
I1 Rb2 Cd1 70.56(4) 5_554 4_655 ?
I1 Rb2 Cd1 70.56(4) 6_654 2_665 ?
I1 Rb2 Cd1 112.27(6) 5_554 2_665 ?
I1 Rb2 Cd1 112.27(6) 6_654 4_655 ?
I1 Rb2 Rb1 132.94(7) 6_654 5_554 ?
I1 Rb2 Rb1 50.65(5) 5_554 5_554 ?
I2 Rb2 I2 72.81(2) 4_655 7_455 ?
I2 Rb2 I2 72.81(2) 3_465 8_655 ?
I2 Rb2 I2 146.82(8) 3_465 7_455 ?
I2 Rb2 I2 146.82(8) 4_655 8_655 ?
I2 Rb2 I2 85.34(8) 8_655 7_455 ?
I2 Rb2 I2 136.79(11) 4_655 3_465 ?
I2 Rb2 Cd1 38.18(3) 4_655 4_655 ?
I2 Rb2 Cd1 66.20(3) 7_455 4_655 ?
I2 Rb2 Cd1 110.14(6) 8_655 4_655 ?
I2 Rb2 Cd1 110.14(6) 7_455 2_665 ?
I2 Rb2 Cd1 66.20(3) 8_655 2_665 ?
I2 Rb2 Cd1 144.65(6) 3_465 4_655 ?
I2 Rb2 Cd1 144.65(6) 4_655 2_665 ?
I2 Rb2 Cd1 38.18(3) 3_465 2_665 ?
I2 Rb2 Rb1 128.72(5) 4_655 5_554 ?
I2 Rb2 Rb1 53.46(4) 3_465 5_554 ?
I2 Rb2 Rb1 126.42(8) 7_455 5_554 ?
I2 Rb2 Rb1 49.15(4) 8_655 5_554 ?
Cd1 Rb2 Cd1 175.39(10) 4_655 2_665 ?
Cd1 Rb2 Rb1 79.29(4) 2_665 5_554 ?
Cd1 Rb2 Rb1 100.52(4) 4_655 5_554 ?
Rb2 Rb2 I1 0(10) 2_665 5_554 ?
Rb2 Rb2 I1 0(10) 2_665 6_654 ?
Rb2 Rb2 I2 0(10) 2_665 8_655 ?
Rb2 Rb2 I2 0(10) 2_665 7_455 ?
Rb2 Rb2 I2 0(10) 2_665 3_465 ?
Rb2 Rb2 I2 0(10) 2_665 4_655 ?
Rb2 Rb2 Cd1 0(10) 2_665 2_665 ?
Rb2 Rb2 Cd1 0(10) 2_665 4_655 ?
Rb2 Rb2 Rb1 0(10) 2_665 5_554 ?
Rb2 Rb2 Br1 0(10) 2_665 2_665 ?
Rb2 Rb2 Br1 0(10) 2_665 . ?
Br1 Rb2 I1 67.41(4) . 5_554 ?
Br1 Rb2 I1 148.97(6) . 6_654 ?
Br1 Rb2 I1 67.41(4) 2_665 6_654 ?
Br1 Rb2 I1 148.97(6) 2_665 5_554 ?
Br1 Rb2 I2 74.91(5) . 4_655 ?
Br1 Rb2 I2 124.26(5) 2_665 4_655 ?
Br1 Rb2 I2 74.91(5) 2_665 3_465 ?
Br1 Rb2 I2 70.44(6) . 7_455 ?
Br1 Rb2 I2 74.36(7) 2_665 7_455 ?
Br1 Rb2 I2 70.44(6) 2_665 8_655 ?
Br1 Rb2 I2 124.26(5) . 3_465 ?
Br1 Rb2 I2 74.36(7) . 8_655 ?
Br1 Rb2 Cd1 140.21(8) 2_665 4_655 ?
Br1 Rb2 Cd1 36.73(5) 2_665 2_665 ?
Br1 Rb2 Cd1 140.21(8) . 2_665 ?
Br1 Rb2 Cd1 36.73(5) . 4_655 ?
Br1 Rb2 Rb1 70.95(5) . 5_554 ?
Br1 Rb2 Rb1 107.02(6) 2_665 5_554 ?
Br1 Rb2 Br1 131.46(12) 2_665 . ?
Cd1 Br1 Cd1 0.00(4) 4_655 . ?
Cd1 Br1 Rb1 94.66(12) 4_655 . ?
Cd1 Br1 Rb1 94.66(12) . . ?
Cd1 Br1 Rb1 94.66(12) . 4_655 ?
Cd1 Br1 Rb1 94.66(12) 4_655 4_655 ?
Cd1 Br1 Rb2 93.47(6) 4_655 . ?
Cd1 Br1 Rb2 93.47(6) 4_655 3_565 ?
Cd1 Br1 Rb2 93.47(6) . 2_665 ?
Cd1 Br1 Rb2 93.47(6) 4_655 4_655 ?
Cd1 Br1 Rb2 93.47(6) 4_655 2_665 ?
Cd1 Br1 Rb2 93.47(6) . 3_565 ?
Cd1 Br1 Rb2 93.47(6) . . ?
Cd1 Br1 Rb2 93.47(6) . 4_655 ?
Rb1 Br1 Rb1 0.00(14) . 4_655 ?
Rb1 Br1 Rb2 119.14(6) . 4_655 ?
Rb1 Br1 Rb2 119.14(6) 4_655 3_565 ?
Rb1 Br1 Rb2 119.14(6) 4_655 2_665 ?
Rb1 Br1 Rb2 119.14(6) . 3_565 ?
Rb1 Br1 Rb2 119.14(6) . . ?
Rb1 Br1 Rb2 119.14(6) 4_655 4_655 ?
Rb1 Br1 Rb2 119.14(6) 4_655 . ?
Rb1 Br1 Rb2 119.14(6) . 2_665 ?
Rb2 Br1 Rb2 120.37(11) . 3_565 ?
Rb2 Br1 Rb2 120.37(11) . 4_655 ?
Rb2 Br1 Rb2 120.37(11) 2_665 3_565 ?
Rb2 Br1 Rb2 0.00(11) 4_655 3_565 ?
Rb2 Br1 Rb2 120.37(11) 2_665 4_655 ?
Rb2 Br1 Rb2 0.0 . 2_665 ?

_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 1.396
_oxdiff_exptl_absorpt_empirical_full_min 0.781
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.89
2 0.11

