# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_3.1wll_auto
_database_code_depnum_ccdc_archive 'CCDC 2375479'
loop_
_audit_author_name
_audit_author_address
'Luli Wang'
;Sichuan Normal University
China
;
_audit_update_record             
;
2024-08-05 deposited with the CCDC.	2024-12-05 downloaded from the CCDC.
;
_audit_creation_date             2024-08-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl F14 Rb3 Sb4'
_chemical_formula_sum            'Cl F14 Rb3 Sb4'
_chemical_formula_weight         1044.86
_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
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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      orthorhombic
_space_group_IT_number           31
_space_group_name_H-M_alt        'P m n 21'
_space_group_name_Hall           'P 2ac -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, z+1/2'
'-x, y, z'

_cell_length_a                   30.5126(9)
_cell_length_b                   7.4783(2)
_cell_length_c                   7.3322(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1673.08(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11677
_cell_measurement_temperature    298.63(10)
_cell_measurement_theta_max      30.7470
_cell_measurement_theta_min      2.6570
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    15.344
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43154
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    4.148
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             1832
_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  0.0388
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            19866
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.788
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.725
_diffrn_reflns_theta_min         2.670
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.63(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  40.00   0.50    0.57    --    5.86 -99.00  30.00  118
  2  ω    -21.00  33.00   0.50    0.57    --    5.86 -99.00  60.00  108
  3  ω     -4.00  59.00   0.50    0.57    --    5.86  37.00 150.00  126
  4  ω    -57.00   8.00   0.50    0.57    --    5.86 -37.00 -60.00  130
  5  ω     -8.00  79.00   0.50    0.57    --    5.86  77.00-150.00  174
  6  ω     -9.00  22.00   0.50    0.57    --   -6.10 -99.00  90.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0355434000
_diffrn_orient_matrix_UB_12      0.0208074000
_diffrn_orient_matrix_UB_13      0.0240868000
_diffrn_orient_matrix_UB_21      0.0620448000
_diffrn_orient_matrix_UB_22      0.0010794000
_diffrn_orient_matrix_UB_23      0.0726247000
_diffrn_orient_matrix_UB_31      0.0651226000
_diffrn_orient_matrix_UB_32      0.0103229000
_diffrn_orient_matrix_UB_33      -0.0560429000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.655
_reflns_Friedel_fraction_full    0.936
_reflns_Friedel_fraction_max     0.672
_reflns_number_gt                3902
_reflns_number_total             4170
_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 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.135
_refine_ls_abs_structure_details 
;
 Flack x determined using 1465 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.001(5)
_refine_ls_extinction_coef       0.00441(9)
_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   1.024
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         4170
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0203
_refine_ls_restrained_S_all      1.024
_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)+(0.0132P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0374
_refine_ls_wR_factor_ref         0.0379
_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
Sb3 Sb 0.42390(2) 0.86389(4) 0.23243(6) 0.02017(8) Uani 1 1 d . . . . .
Sb1 Sb 0.500000 1.06892(5) 0.71537(7) 0.01948(13) Uani 1 2 d S T P . .
Sb4 Sb 0.35314(2) 1.05687(4) 0.67688(5) 0.02198(9) Uani 1 1 d . . . . .
Sb5 Sb 0.27952(2) 0.55448(4) 0.69142(5) 0.02015(9) Uani 1 1 d . . . . .
Sb2 Sb 0.500000 0.41154(6) 0.25914(8) 0.02405(13) Uani 1 2 d S T P . .
Rb3 Rb 0.21051(2) 0.08979(6) 0.67198(10) 0.02845(15) Uani 1 1 d . . . . .
Rb2 Rb 0.35519(2) 1.39680(7) 0.21880(9) 0.03195(14) Uani 1 1 d . . . . .
Rb1 Rb 0.42467(2) 0.58548(7) 0.73467(11) 0.03919(16) Uani 1 1 d . . . . .
Cl1 Cl 0.57186(5) 1.18629(19) 0.9434(2) 0.0352(3) Uani 1 1 d . . . . .
F7 F 0.37658(9) 1.0335(4) 0.3205(5) 0.0325(7) Uani 1 1 d . . . . .
F6 F 0.39385(10) 0.7060(4) 0.3997(5) 0.0331(7) Uani 1 1 d . . . . .
F11 F 0.31946(11) 1.1364(5) 0.8851(5) 0.0424(9) Uani 1 1 d . . . . .
F9 F 0.35929(10) 1.3110(4) 0.6105(5) 0.0369(8) Uani 1 1 d . . . . .
F5 F 0.44671(10) 0.6027(4) 0.1373(5) 0.0409(8) Uani 1 1 d . . . . .
F2 F 0.45535(10) 0.9297(4) 0.5849(5) 0.0380(8) Uani 1 1 d . . . . .
F4 F 0.500000 0.6069(8) 0.4295(8) 0.0544(15) Uani 1 2 d S T P . .
F8 F 0.38100(10) 0.8008(4) 0.0500(5) 0.0366(8) Uani 1 1 d . . . . .
F15 F 0.22682(11) 0.4372(4) 0.5602(5) 0.0378(8) Uani 1 1 d . . . . .
F13 F 0.29202(10) 0.6287(5) 0.4427(5) 0.0396(8) Uani 1 1 d . . . . .
F14 F 0.23658(9) 0.7376(3) 0.7264(6) 0.0383(8) Uani 1 1 d . . . . .
F1 F 0.500000 0.8711(6) 0.8836(7) 0.0448(13) Uani 1 2 d S T P . .
F12 F 0.32228(11) 0.7637(5) 0.7523(6) 0.0590(11) Uani 1 1 d . . . . .
F10 F 0.29941(10) 1.0670(5) 0.5399(5) 0.0411(9) Uani 1 1 d . . . . .
F3 F 0.54501(15) 0.3161(6) 0.4255(7) 0.0800(15) 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
Sb3 Rb3 4.1395(6) 2_564 ?
Sb3 Rb2 4.0751(6) 1_545 ?
Sb3 Rb1 4.2304(8) . ?
Sb3 Rb1 4.2018(8) 1_554 ?
Sb3 F7 2.027(3) . ?
Sb3 F6 1.934(3) . ?
Sb3 F5 2.188(3) . ?
Sb3 F8 1.930(3) . ?
Sb1 Rb1 4.2864(6) . ?
Sb1 Rb1 4.2865(6) 4_655 ?
Sb1 Cl1 2.8936(15) 4_655 ?
Sb1 Cl1 2.8936(15) . ?
Sb1 F2 1.963(3) . ?
Sb1 F2 1.963(3) 4_655 ?
Sb1 F1 1.926(5) . ?
Sb4 Rb3 4.3592(6) 1_565 ?
Sb4 Rb3 4.2607(7) 2_565 ?
Sb4 Rb3 4.3220(7) 2_564 ?
Sb4 Rb2 4.2127(7) . ?
Sb4 Rb1 4.1677(6) . ?
Sb4 F11 1.934(3) . ?
Sb4 F9 1.971(3) . ?
Sb4 F12 2.450(3) . ?
Sb4 F10 1.924(3) . ?
Sb5 Rb3 4.0658(5) . ?
Sb5 Rb2 4.1314(6) 2_575 ?
Sb5 Rb2 4.3278(7) 1_545 ?
Sb5 F15 2.069(3) . ?
Sb5 F13 1.944(3) . ?
Sb5 F14 1.913(2) . ?
Sb5 F12 2.085(3) . ?
Sb2 Rb1 4.3740(9) 4_655 ?
Sb2 Rb1 4.3740(9) . ?
Sb2 F5 2.342(3) 4_655 ?
Sb2 F5 2.342(3) . ?
Sb2 F4 1.923(5) . ?
Sb2 F3 1.971(4) . ?
Sb2 F3 1.971(4) 4_655 ?
Rb3 Rb2 4.1686(7) 2_565 ?
Rb3 F7 3.016(3) 2_565 ?
Rb3 F11 2.850(3) 2_564 ?
Rb3 F8 3.044(3) 2_565 ?
Rb3 F15 2.769(3) . ?
Rb3 F13 2.894(3) 2_565 ?
Rb3 F14 2.780(3) 1_545 ?
Rb3 F12 3.416(4) 2_564 ?
Rb3 F10 2.957(4) 2_565 ?
Rb3 F10 2.885(3) 1_545 ?
Rb2 Cl1 3.3928(16) 4_654 ?
Rb2 F7 2.892(3) . ?
Rb2 F6 2.915(3) 1_565 ?
Rb2 F11 3.312(4) 1_554 ?
Rb2 F9 2.946(4) . ?
Rb2 F5 3.244(3) 1_565 ?
Rb2 F8 3.359(3) 1_565 ?
Rb2 F15 3.026(3) 2_574 ?
Rb2 F13 3.069(4) 1_565 ?
Rb2 F14 2.976(3) 2_574 ?
Rb2 F3 3.454(5) 4_665 ?
Rb1 Cl1 3.3563(16) 4_645 ?
Rb1 F6 2.780(3) . ?
Rb1 F9 3.004(3) 1_545 ?
Rb1 F5 3.031(4) 1_556 ?
Rb1 F2 2.951(3) . ?
Rb1 F4 3.212(4) . ?
Rb1 F8 3.117(3) 1_556 ?
Rb1 F1 3.322(4) . ?
Rb1 F12 3.399(4) . ?
Rb1 F3 3.170(5) 4_655 ?

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
Rb3 Sb3 Rb1 98.044(15) 2_564 . ?
Rb3 Sb3 Rb1 87.364(14) 2_564 1_554 ?
Rb2 Sb3 Rb3 63.859(10) 1_545 2_564 ?
Rb2 Sb3 Rb1 63.696(12) 1_545 1_554 ?
Rb2 Sb3 Rb1 66.569(13) 1_545 . ?
Rb1 Sb3 Rb1 120.811(15) 1_554 . ?
F7 Sb3 Rb3 43.64(9) . 2_564 ?
F7 Sb3 Rb2 100.24(8) . 1_545 ?
F7 Sb3 Rb1 126.21(9) . 1_554 ?
F7 Sb3 Rb1 91.98(9) . . ?
F7 Sb3 F5 152.46(12) . . ?
F6 Sb3 Rb3 69.47(9) . 2_564 ?
F6 Sb3 Rb2 41.26(10) . 1_545 ?
F6 Sb3 Rb1 31.79(9) . . ?
F6 Sb3 Rb1 104.54(10) . 1_554 ?
F6 Sb3 F7 80.93(13) . . ?
F6 Sb3 F5 78.92(13) . . ?
F5 Sb3 Rb3 110.84(8) . 2_564 ?
F5 Sb3 Rb2 52.45(9) . 1_545 ?
F5 Sb3 Rb1 43.86(10) . 1_554 ?
F5 Sb3 Rb1 80.57(10) . . ?
F8 Sb3 Rb3 43.48(10) . 2_564 ?
F8 Sb3 Rb2 54.87(10) . 1_545 ?
F8 Sb3 Rb1 44.00(10) . 1_554 ?
F8 Sb3 Rb1 119.13(10) . . ?
F8 Sb3 F7 83.73(13) . . ?
F8 Sb3 F6 88.21(14) . . ?
F8 Sb3 F5 77.09(13) . . ?
Rb1 Sb1 Rb1 64.853(17) . 4_655 ?
Cl1 Sb1 Rb1 130.02(3) . . ?
Cl1 Sb1 Rb1 80.24(3) . 4_655 ?
Cl1 Sb1 Rb1 80.24(3) 4_655 . ?
Cl1 Sb1 Rb1 130.02(3) 4_655 4_655 ?
Cl1 Sb1 Cl1 98.54(6) . 4_655 ?
F2 Sb1 Rb1 36.57(11) 4_655 4_655 ?
F2 Sb1 Rb1 86.62(9) . 4_655 ?
F2 Sb1 Rb1 36.57(11) . . ?
F2 Sb1 Rb1 86.61(9) 4_655 . ?
F2 Sb1 Cl1 165.50(10) 4_655 4_655 ?
F2 Sb1 Cl1 85.22(10) 4_655 . ?
F2 Sb1 Cl1 85.21(10) . 4_655 ?
F2 Sb1 Cl1 165.50(10) . . ?
F2 Sb1 F2 87.87(19) 4_655 . ?
F1 Sb1 Rb1 48.02(11) . . ?
F1 Sb1 Rb1 48.02(11) . 4_655 ?
F1 Sb1 Cl1 82.12(11) . . ?
F1 Sb1 Cl1 82.12(11) . 4_655 ?
F1 Sb1 F2 84.55(16) . 4_655 ?
F1 Sb1 F2 84.54(16) . . ?
Rb3 Sb4 Rb3 117.363(13) 2_565 2_564 ?
Rb3 Sb4 Rb3 63.809(9) 2_564 1_565 ?
Rb3 Sb4 Rb3 64.307(9) 2_565 1_565 ?
Rb2 Sb4 Rb3 88.520(11) . 1_565 ?
Rb2 Sb4 Rb3 147.288(12) . 2_565 ?
Rb2 Sb4 Rb3 58.459(11) . 2_564 ?
Rb1 Sb4 Rb3 124.850(12) . 1_565 ?
Rb1 Sb4 Rb3 96.187(13) . 2_564 ?
Rb1 Sb4 Rb3 86.237(13) . 2_565 ?
Rb1 Sb4 Rb2 125.710(15) . . ?
F11 Sb4 Rb3 57.22(11) . 1_565 ?
F11 Sb4 Rb3 121.02(11) . 2_564 ?
F11 Sb4 Rb3 33.31(10) . 2_565 ?
F11 Sb4 Rb2 116.86(10) . . ?
F11 Sb4 Rb1 117.26(10) . . ?
F11 Sb4 F9 87.07(14) . . ?
F11 Sb4 F12 83.84(15) . . ?
F9 Sb4 Rb3 94.36(11) . 2_564 ?
F9 Sb4 Rb3 92.20(9) . 1_565 ?
F9 Sb4 Rb3 120.12(10) . 2_565 ?
F9 Sb4 Rb2 38.73(11) . . ?
F9 Sb4 Rb1 142.28(9) . . ?
F9 Sb4 F12 162.85(12) . . ?
F12 Sb4 Rb3 53.27(10) . 2_565 ?
F12 Sb4 Rb3 78.08(9) . 2_564 ?
F12 Sb4 Rb3 70.65(9) . 1_565 ?
F12 Sb4 Rb2 136.54(9) . . ?
F12 Sb4 Rb1 54.63(9) . . ?
F10 Sb4 Rb3 93.82(10) . 2_565 ?
F10 Sb4 Rb3 34.91(11) . 2_564 ?
F10 Sb4 Rb3 31.00(10) . 1_565 ?
F10 Sb4 Rb2 64.70(10) . . ?
F10 Sb4 Rb1 122.18(11) . . ?
F10 Sb4 F11 86.98(15) . . ?
F10 Sb4 F9 85.08(14) . . ?
F10 Sb4 F12 79.96(13) . . ?
Rb3 Sb5 Rb2 64.011(11) . 2_575 ?
Rb3 Sb5 Rb2 90.878(13) . 1_545 ?
Rb2 Sb5 Rb2 126.422(16) 2_575 1_545 ?
F15 Sb5 Rb3 38.63(9) . . ?
F15 Sb5 Rb2 85.81(10) . 1_545 ?
F15 Sb5 Rb2 44.49(10) . 2_575 ?
F15 Sb5 F12 154.66(14) . . ?
F13 Sb5 Rb3 108.23(10) . . ?
F13 Sb5 Rb2 102.45(10) . 2_575 ?
F13 Sb5 Rb2 38.93(10) . 1_545 ?
F13 Sb5 F15 80.64(14) . . ?
F13 Sb5 F12 82.17(15) . . ?
F14 Sb5 Rb3 105.18(8) . . ?
F14 Sb5 Rb2 41.30(8) . 2_575 ?
F14 Sb5 Rb2 131.92(12) . 1_545 ?
F14 Sb5 F15 80.41(13) . . ?
F14 Sb5 F13 93.20(16) . . ?
F14 Sb5 F12 82.11(14) . . ?
F12 Sb5 Rb3 166.58(11) . . ?
F12 Sb5 Rb2 123.09(11) . 2_575 ?
F12 Sb5 Rb2 92.41(12) . 1_545 ?
Rb1 Sb2 Rb1 63.401(18) . 4_655 ?
F5 Sb2 Rb1 119.16(8) . 4_655 ?
F5 Sb2 Rb1 75.97(9) 4_655 4_655 ?
F5 Sb2 Rb1 119.16(8) 4_655 . ?
F5 Sb2 Rb1 75.97(9) . . ?
F5 Sb2 F5 87.94(16) . 4_655 ?
F4 Sb2 Rb1 41.92(12) . . ?
F4 Sb2 Rb1 41.92(12) . 4_655 ?
F4 Sb2 F5 77.52(16) . 4_655 ?
F4 Sb2 F5 77.52(16) . . ?
F4 Sb2 F3 82.7(2) . . ?
F4 Sb2 F3 82.7(2) . 4_655 ?
F3 Sb2 Rb1 41.24(14) 4_655 . ?
F3 Sb2 Rb1 88.88(16) 4_655 4_655 ?
F3 Sb2 Rb1 41.24(14) . 4_655 ?
F3 Sb2 Rb1 88.88(16) . . ?
F3 Sb2 F5 88.47(18) 4_655 . ?
F3 Sb2 F5 160.21(17) . . ?
F3 Sb2 F5 88.47(18) . 4_655 ?
F3 Sb2 F5 160.21(17) 4_655 4_655 ?
F3 Sb2 F3 88.4(3) . 4_655 ?
Sb3 Rb3 Rb2 65.657(10) 2_565 2_565 ?
Sb5 Rb3 Sb3 115.965(12) . 2_565 ?
Sb5 Rb3 Rb2 172.86(2) . 2_565 ?
F7 Rb3 Sb3 27.64(5) 2_565 2_565 ?
F7 Rb3 Sb5 134.82(6) 2_565 . ?
F7 Rb3 Rb2 43.93(5) 2_565 2_565 ?
F7 Rb3 F8 51.69(8) 2_565 2_565 ?
F7 Rb3 F12 99.51(8) 2_565 2_564 ?
F11 Rb3 Sb3 79.09(7) 2_564 2_565 ?
F11 Rb3 Sb5 134.37(8) 2_564 . ?
F11 Rb3 Rb2 52.30(8) 2_564 2_565 ?
F11 Rb3 F7 78.60(10) 2_564 2_565 ?
F11 Rb3 F8 69.41(9) 2_564 2_565 ?
F11 Rb3 F13 158.32(9) 2_564 2_565 ?
F11 Rb3 F12 55.36(9) 2_564 2_564 ?
F11 Rb3 F10 91.08(11) 2_564 1_545 ?
F11 Rb3 F10 113.90(11) 2_564 2_565 ?
F8 Rb3 Sb3 25.87(6) 2_565 2_565 ?
F8 Rb3 Sb5 104.81(6) 2_565 . ?
F8 Rb3 Rb2 79.50(6) 2_565 2_565 ?
F8 Rb3 F12 51.71(8) 2_565 2_564 ?
F15 Rb3 Sb3 97.54(7) . 2_565 ?
F15 Rb3 Sb5 27.80(7) . . ?
F15 Rb3 Rb2 158.39(7) . 2_565 ?
F15 Rb3 F7 123.50(9) . 2_565 ?
F15 Rb3 F11 113.33(11) . 2_564 ?
F15 Rb3 F8 79.96(9) . 2_565 ?
F15 Rb3 F13 61.67(10) . 2_565 ?
F15 Rb3 F14 151.63(9) . 1_545 ?
F15 Rb3 F12 59.01(9) . 2_564 ?
F15 Rb3 F10 77.71(10) . 1_545 ?
F15 Rb3 F10 131.33(10) . 2_565 ?
F13 Rb3 Sb3 80.75(6) 2_565 2_565 ?
F13 Rb3 Sb5 50.81(7) 2_565 . ?
F13 Rb3 Rb2 124.44(7) 2_565 2_565 ?
F13 Rb3 F7 87.20(9) 2_565 2_565 ?
F13 Rb3 F8 88.94(9) 2_565 2_565 ?
F13 Rb3 F12 112.12(10) 2_565 2_564 ?
F13 Rb3 F10 70.12(10) 2_565 2_565 ?
F14 Rb3 Sb3 110.33(6) 1_545 2_565 ?
F14 Rb3 Sb5 131.03(6) 1_545 . ?
F14 Rb3 Rb2 45.48(6) 1_545 2_565 ?
F14 Rb3 F7 84.87(8) 1_545 2_565 ?
F14 Rb3 F11 68.63(10) 1_545 2_564 ?
F14 Rb3 F8 124.01(8) 1_545 2_565 ?
F14 Rb3 F13 126.73(11) 1_545 2_565 ?
F14 Rb3 F12 121.14(11) 1_545 2_564 ?
F14 Rb3 F10 61.48(11) 1_545 2_565 ?
F14 Rb3 F10 73.93(9) 1_545 1_545 ?
F12 Rb3 Sb3 77.26(5) 2_564 2_565 ?
F12 Rb3 Sb5 84.78(5) 2_564 . ?
F12 Rb3 Rb2 102.32(5) 2_564 2_565 ?
F10 Rb3 Sb3 166.48(7) 1_545 2_565 ?
F10 Rb3 Sb3 80.45(6) 2_565 2_565 ?
F10 Rb3 Sb5 64.87(7) 1_545 . ?
F10 Rb3 Sb5 111.10(7) 2_565 . ?
F10 Rb3 Rb2 61.93(7) 2_565 2_565 ?
F10 Rb3 Rb2 115.35(7) 1_545 2_565 ?
F10 Rb3 F7 158.66(9) 1_545 2_565 ?
F10 Rb3 F7 57.26(8) 2_565 2_565 ?
F10 Rb3 F8 106.31(9) 2_565 2_565 ?
F10 Rb3 F8 141.22(10) 1_545 2_565 ?
F10 Rb3 F13 107.35(10) 1_545 2_565 ?
F10 Rb3 F12 89.54(9) 1_545 2_564 ?
F10 Rb3 F12 156.77(8) 2_565 2_564 ?
F10 Rb3 F10 112.28(8) 1_545 2_565 ?
Cl1 Rb2 Sb3 94.29(3) 4_654 1_565 ?
Cl1 Rb2 F3 66.54(8) 4_654 4_665 ?
F7 Rb2 Sb3 133.07(6) . 1_565 ?
F7 Rb2 Cl1 64.51(7) . 4_654 ?
F7 Rb2 F6 122.45(9) . 1_565 ?
F7 Rb2 F11 73.28(9) . 1_554 ?
F7 Rb2 F9 62.25(9) . . ?
F7 Rb2 F5 107.41(8) . 1_565 ?
F7 Rb2 F8 152.53(8) . 1_565 ?
F7 Rb2 F15 132.16(8) . 2_574 ?
F7 Rb2 F13 122.32(9) . 1_565 ?
F7 Rb2 F14 83.70(8) . 2_574 ?
F7 Rb2 F3 61.56(10) . 4_665 ?
F6 Rb2 Sb3 25.94(6) 1_565 1_565 ?
F6 Rb2 Cl1 111.93(7) 1_565 4_654 ?
F6 Rb2 F11 159.37(9) 1_565 1_554 ?
F6 Rb2 F9 73.26(9) 1_565 . ?
F6 Rb2 F5 50.13(9) 1_565 1_565 ?
F6 Rb2 F8 50.16(8) 1_565 1_565 ?
F6 Rb2 F15 100.61(9) 1_565 2_574 ?
F6 Rb2 F13 64.05(9) 1_565 1_565 ?
F6 Rb2 F14 129.80(9) 1_565 2_574 ?
F6 Rb2 F3 65.31(10) 1_565 4_665 ?
F11 Rb2 Sb3 133.75(6) 1_554 1_565 ?
F11 Rb2 Cl1 60.22(6) 1_554 4_654 ?
F11 Rb2 F8 109.51(8) 1_554 1_565 ?
F11 Rb2 F3 120.77(10) 1_554 4_665 ?
F9 Rb2 Sb3 98.10(6) . 1_565 ?
F9 Rb2 Cl1 116.84(7) . 4_654 ?
F9 Rb2 F11 127.32(9) . 1_554 ?
F9 Rb2 F5 104.26(9) . 1_565 ?
F9 Rb2 F8 123.05(8) . 1_565 ?
F9 Rb2 F15 119.94(9) . 2_574 ?
F9 Rb2 F13 68.17(9) . 1_565 ?
F9 Rb2 F14 87.02(10) . 2_574 ?
F9 Rb2 F3 59.78(9) . 4_665 ?
F5 Rb2 Sb3 32.32(5) 1_565 1_565 ?
F5 Rb2 Cl1 63.00(6) 1_565 4_654 ?
F5 Rb2 F11 115.25(9) 1_565 1_554 ?
F5 Rb2 F8 45.85(7) 1_565 1_565 ?
F5 Rb2 F3 53.49(9) 1_565 4_665 ?
F8 Rb2 Sb3 28.04(5) 1_565 1_565 ?
F8 Rb2 Cl1 92.53(6) 1_565 4_654 ?
F8 Rb2 F3 96.45(9) 1_565 4_665 ?
F15 Rb2 Sb3 94.77(6) 2_574 1_565 ?
F15 Rb2 Cl1 120.28(8) 2_574 4_654 ?
F15 Rb2 F11 71.64(8) 2_574 1_554 ?
F15 Rb2 F5 116.51(8) 2_574 1_565 ?
F15 Rb2 F8 71.53(8) 2_574 1_565 ?
F15 Rb2 F13 56.93(9) 2_574 1_565 ?
F15 Rb2 F3 165.77(10) 2_574 4_665 ?
F13 Rb2 Sb3 79.95(6) 1_565 1_565 ?
F13 Rb2 Cl1 173.06(7) 1_565 4_654 ?
F13 Rb2 F11 121.38(8) 1_565 1_554 ?
F13 Rb2 F5 111.77(8) 1_565 1_565 ?
F13 Rb2 F8 80.56(8) 1_565 1_565 ?
F13 Rb2 F3 114.68(10) 1_565 4_665 ?
F14 Rb2 Sb3 140.64(5) 2_574 1_565 ?
F14 Rb2 Cl1 118.15(7) 2_574 4_654 ?
F14 Rb2 F11 60.36(9) 2_574 1_554 ?
F14 Rb2 F5 166.84(9) 2_574 1_565 ?
F14 Rb2 F8 122.10(7) 2_574 1_565 ?
F14 Rb2 F15 50.77(8) 2_574 2_574 ?
F14 Rb2 F13 65.78(9) 2_574 1_565 ?
F14 Rb2 F3 139.66(9) 2_574 4_665 ?
F3 Rb2 Sb3 71.68(7) 4_665 1_565 ?
Sb4 Rb1 Sb3 70.503(13) . 1_556 ?
Cl1 Rb1 Sb3 92.57(3) 4_645 1_556 ?
Cl1 Rb1 Sb4 144.60(3) 4_645 . ?
Cl1 Rb1 F12 111.12(7) 4_645 . ?
F6 Rb1 Sb3 127.21(7) . 1_556 ?
F6 Rb1 Sb4 57.23(7) . . ?
F6 Rb1 Cl1 134.57(7) . 4_645 ?
F6 Rb1 F9 74.29(9) . 1_545 ?
F6 Rb1 F5 157.20(9) . 1_556 ?
F6 Rb1 F2 59.72(9) . . ?
F6 Rb1 F4 67.08(11) . . ?
F6 Rb1 F8 110.07(10) . 1_556 ?
F6 Rb1 F1 108.42(11) . . ?
F6 Rb1 F12 66.14(10) . . ?
F6 Rb1 F3 70.92(12) . 4_655 ?
F9 Rb1 Sb3 126.73(7) 1_545 1_556 ?
F9 Rb1 Sb4 101.50(6) 1_545 . ?
F9 Rb1 Cl1 63.34(7) 1_545 4_645 ?
F9 Rb1 F5 118.13(9) 1_545 1_556 ?
F9 Rb1 F4 107.36(10) 1_545 . ?
F9 Rb1 F8 107.09(9) 1_545 1_556 ?
F9 Rb1 F1 176.83(9) 1_545 . ?
F9 Rb1 F12 70.66(8) 1_545 . ?
F9 Rb1 F3 62.80(10) 1_545 4_655 ?
F5 Rb1 Sb3 30.01(6) 1_556 1_556 ?
F5 Rb1 Sb4 100.33(6) 1_556 . ?
F5 Rb1 Cl1 65.59(7) 1_556 4_645 ?
F5 Rb1 F4 121.18(10) 1_556 . ?
F5 Rb1 F8 49.48(8) 1_556 1_556 ?
F5 Rb1 F1 59.93(11) 1_556 . ?
F5 Rb1 F12 98.64(9) 1_556 . ?
F5 Rb1 F3 131.20(12) 1_556 4_655 ?
F2 Rb1 Sb3 83.85(7) . 1_556 ?
F2 Rb1 Sb4 52.44(6) . . ?
F2 Rb1 Cl1 159.32(7) . 4_645 ?
F2 Rb1 F9 133.95(10) . 1_545 ?
F2 Rb1 F5 104.78(9) . 1_556 ?
F2 Rb1 F4 58.00(12) . . ?
F2 Rb1 F8 87.77(9) . 1_556 ?
F2 Rb1 F1 48.86(10) . . ?
F2 Rb1 F12 87.92(8) . . ?
F2 Rb1 F3 101.29(10) . 4_655 ?
F4 Rb1 Sb3 125.76(8) . 1_556 ?
F4 Rb1 Sb4 105.17(10) . . ?
F4 Rb1 Cl1 109.85(11) . 4_645 ?
F4 Rb1 F1 72.65(11) . . ?
F4 Rb1 F12 131.66(12) . . ?
F8 Rb1 Sb3 25.48(5) 1_556 1_556 ?
F8 Rb1 Sb4 54.16(6) 1_556 . ?
F8 Rb1 Cl1 97.75(7) 1_556 4_645 ?
F8 Rb1 F4 142.84(11) 1_556 . ?
F8 Rb1 F1 73.73(9) 1_556 . ?
F8 Rb1 F12 51.41(9) 1_556 . ?
F8 Rb1 F3 169.53(10) 1_556 4_655 ?
F1 Rb1 Sb3 53.12(8) . 1_556 ?
F1 Rb1 Sb4 81.49(6) . . ?
F1 Rb1 Cl1 113.59(8) . 4_645 ?
F1 Rb1 F12 111.80(8) . . ?
F12 Rb1 Sb3 76.56(7) . 1_556 ?
F12 Rb1 Sb4 35.99(6) . . ?
F3 Rb1 Sb3 159.63(10) 4_655 1_556 ?
F3 Rb1 Sb4 128.14(10) 4_655 . ?
F3 Rb1 Cl1 75.61(9) 4_655 4_645 ?
F3 Rb1 F4 47.54(11) 4_655 . ?
F3 Rb1 F1 116.22(11) 4_655 . ?
F3 Rb1 F12 122.99(12) 4_655 . ?
Sb1 Cl1 Rb2 169.04(5) . 4_656 ?
Sb1 Cl1 Rb1 91.74(4) . 4_665 ?
Rb1 Cl1 Rb2 80.68(3) 4_665 4_656 ?
Sb3 F7 Rb3 108.73(12) . 2_564 ?
Sb3 F7 Rb2 131.78(14) . . ?
Rb2 F7 Rb3 89.73(8) . 2_564 ?
Sb3 F6 Rb2 112.80(14) . 1_545 ?
Sb3 F6 Rb1 126.72(13) . . ?
Rb1 F6 Rb2 106.36(10) . 1_545 ?
Sb4 F11 Rb3 124.81(15) . 2_565 ?
Sb4 F11 Rb2 126.09(14) . 1_556 ?
Rb3 F11 Rb2 84.80(9) 2_565 1_556 ?
Sb4 F9 Rb2 116.53(15) . . ?
Sb4 F9 Rb1 130.35(15) . 1_565 ?
Rb2 F9 Rb1 100.07(9) . 1_565 ?
Sb3 F5 Sb2 130.12(16) . . ?
Sb3 F5 Rb2 95.24(11) . 1_545 ?
Sb3 F5 Rb1 106.13(12) . 1_554 ?
Sb2 F5 Rb2 103.75(11) . 1_545 ?
Sb2 F5 Rb1 119.97(12) . 1_554 ?
Rb1 F5 Rb2 88.18(9) 1_554 1_545 ?
Sb1 F2 Rb1 120.08(16) . . ?
Sb2 F4 Rb1 114.50(17) . 4_655 ?
Sb2 F4 Rb1 114.50(17) . . ?
Rb1 F4 Rb1 91.40(16) . 4_655 ?
Sb3 F8 Rb3 110.65(14) . 2_564 ?
Sb3 F8 Rb2 97.09(12) . 1_545 ?
Sb3 F8 Rb1 110.51(13) . 1_554 ?
Rb3 F8 Rb2 85.32(8) 2_564 1_545 ?
Rb3 F8 Rb1 138.51(10) 2_564 1_554 ?
Rb1 F8 Rb2 84.77(8) 1_554 1_545 ?
Sb5 F15 Rb3 113.56(14) . . ?
Sb5 F15 Rb2 106.87(13) . 2_575 ?
Rb3 F15 Rb2 97.04(10) . 2_575 ?
Sb5 F13 Rb3 147.76(17) . 2_564 ?
Sb5 F13 Rb2 117.62(14) . 1_545 ?
Rb3 F13 Rb2 93.49(9) 2_564 1_545 ?
Sb5 F14 Rb3 148.77(15) . 1_565 ?
Sb5 F14 Rb2 113.60(11) . 2_575 ?
Rb3 F14 Rb2 92.75(8) 1_565 2_575 ?
Sb1 F1 Rb1 106.45(16) . 4_655 ?
Sb1 F1 Rb1 106.45(16) . . ?
Rb1 F1 Rb1 87.55(12) . 4_655 ?
Sb4 F12 Rb3 91.65(12) . 2_565 ?
Sb4 F12 Rb1 89.37(9) . . ?
Sb5 F12 Sb4 149.73(19) . . ?
Sb5 F12 Rb3 104.49(13) . 2_565 ?
Sb5 F12 Rb1 105.84(15) . . ?
Rb1 F12 Rb3 115.42(11) . 2_565 ?
Sb4 F10 Rb3 123.22(15) . 2_564 ?
Sb4 F10 Rb3 128.91(16) . 1_565 ?
Rb3 F10 Rb3 103.50(10) 1_565 2_564 ?
Sb2 F3 Rb2 106.2(2) . 4_645 ?
Sb2 F3 Rb1 114.57(18) . 4_655 ?
Rb1 F3 Rb2 86.87(12) 4_655 4_645 ?

_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 1.762
_oxdiff_exptl_absorpt_empirical_full_min 0.682
####################################################################### 
# 
# 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_2wll_auto
_database_code_depnum_ccdc_archive 'CCDC 2387734'
loop_
_audit_author_name
_audit_author_address
'Luli Wang'
;Sichuan Normal University
China
;
_audit_update_record             
;
2024-09-30 deposited with the CCDC.	2024-12-05 downloaded from the CCDC.
;
_audit_creation_date             2024-09-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl F3 Rb Sb'
_chemical_formula_sum            'Cl F3 Rb Sb'
_chemical_formula_weight         300.28
_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
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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      tetragonal
_space_group_IT_number           121
_space_group_name_H-M_alt        'I -4 2 m'
_space_group_name_Hall           'I -4 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x, y, -z'
'x, -y, -z'
'-y, -x, z'
'y, x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   9.8659(2)
_cell_length_b                   9.8659(2)
_cell_length_c                   10.8193(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1053.11(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4283
_cell_measurement_temperature    297.28(10)
_cell_measurement_theta_max      30.9970
_cell_measurement_theta_min      2.7840
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.878
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34399
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.788
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             1058
_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  0.0257
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.935
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5896
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.618
_diffrn_reflns_theta_min         2.794
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      297.28(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -15.00  39.00   0.50    0.18    --    6.02 -99.00   0.00  108
  2  ω    -18.00  37.00   0.50    0.18    --    6.02 -99.00  30.00  110
  3  ω    -56.00  -7.00   0.50    0.18    --   -6.25 -77.00 -90.00   98
  4  ω     -5.00  79.00   0.50    0.18    --    6.02  37.00 120.00  168
  5  ω     -8.00  71.00   0.50    0.18    --    6.02  77.00-180.00  158
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0236937000
_diffrn_orient_matrix_UB_12      -0.0671107000
_diffrn_orient_matrix_UB_13      -0.0092294000
_diffrn_orient_matrix_UB_21      0.0612911000
_diffrn_orient_matrix_UB_22      -0.0257713000
_diffrn_orient_matrix_UB_23      0.0249481000
_diffrn_orient_matrix_UB_31      -0.0291539000
_diffrn_orient_matrix_UB_32      0.0003856000
_diffrn_orient_matrix_UB_33      0.0599294000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.666
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.847
_reflns_number_gt                751
_reflns_number_total             788
_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 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.480
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details 
;
 Flack x determined using 289 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.018(6)
_refine_ls_extinction_coef       0.00139(15)
_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   1.078
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         788
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0160
_refine_ls_restrained_S_all      1.078
_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)+(0.0168P)²+2.3215P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0367
_refine_ls_wR_factor_ref         0.0369
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Sb1(0.46) Sb1a(0.04)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_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 0.28869(4) 0.71131(4) 0.54464(5) 0.02178(14) Uani 0.92 2 d S T P . .
Rb1 Rb 0.500000 0.500000 0.80327(8) 0.0330(2) Uani 1 4 d S T P . .
Rb2 Rb 0.500000 1.000000 0.750000 0.0381(2) Uani 1 4 d S T P . .
Cl1 Cl 0.2872(2) 1.000000 0.500000 0.0433(4) Uani 1 2 d S T P . .
F1 F 0.4644(3) 0.7295(4) 0.6280(3) 0.0494(8) Uani 1 1 d . . . . .
F2 F 0.2186(4) 0.7814(4) 0.6970(4) 0.0618(13) Uani 1 2 d S T P . .
Sb1A Sb 0.3252(5) 0.6748(5) 0.5118(7) 0.0262(16) Uani 0.08 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
Sb1 Rb1 4.3510(7) 11_466 ?
Sb1 Rb1 4.0648(8) . ?
Sb1 Rb2 4.1707(3) 13_546 ?
Sb1 Rb2 4.1707(3) . ?
Sb1 Cl1 2.8888(4) 3_466 ?
Sb1 Cl1 2.8888(4) . ?
Sb1 F1 1.962(3) . ?
Sb1 F1 1.962(3) 7_665 ?
Sb1 F2 1.917(4) . ?
Sb1 Sb1A 0.620(8) . ?
Rb1 Cl1 3.5441(17) 11_456 ?
Rb1 Cl1 3.5441(17) 9_545 ?
Rb1 Cl1 3.5441(17) 10_565 ?
Rb1 Cl1 3.5441(17) 12_656 ?
Rb1 F1 2.974(4) . ?
Rb1 F1 2.974(4) 7_665 ?
Rb1 F1 2.974(4) 2_665 ?
Rb1 F1 2.974(4) 8 ?
Rb1 F2 3.050(5) 12_656 ?
Rb1 F2 3.050(5) 11_456 ?
Rb1 Sb1A 3.987(7) 2_665 ?
Rb1 Sb1A 3.987(7) . ?
Rb2 Cl1 3.4238(13) 2_675 ?
Rb2 Cl1 3.4238(12) 11_466 ?
Rb2 Cl1 3.4238(13) . ?
Rb2 Cl1 3.4238(12) 12_656 ?
Rb2 F1 2.998(4) . ?
Rb2 F1 2.998(4) 2_675 ?
Rb2 F1 2.998(4) 12_656 ?
Rb2 F1 2.998(4) 11_466 ?
Rb2 F2 3.5620(11) 2_675 ?
Rb2 F2 3.5620(11) . ?
Rb2 F2 3.5620(11) 11_466 ?
Rb2 F2 3.5620(11) 12_656 ?
F1 Sb1A 1.938(6) . ?
F2 Sb1A 2.495(10) . ?

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
Rb1 Sb1 Rb1 114.275(14) . 11_466 ?
Rb1 Sb1 Rb2 74.165(9) . . ?
Rb1 Sb1 Rb2 74.165(9) . 13_546 ?
Rb2 Sb1 Rb1 71.260(10) 13_546 11_466 ?
Rb2 Sb1 Rb1 71.260(10) . 11_466 ?
Rb2 Sb1 Rb2 113.509(14) . 13_546 ?
Cl1 Sb1 Rb1 54.17(4) 3_466 11_466 ?
Cl1 Sb1 Rb1 54.17(4) . 11_466 ?
Cl1 Sb1 Rb1 128.56(3) . . ?
Cl1 Sb1 Rb1 128.56(3) 3_466 . ?
Cl1 Sb1 Rb2 54.43(3) 3_466 13_546 ?
Cl1 Sb1 Rb2 125.35(4) . 13_546 ?
Cl1 Sb1 Rb2 54.43(3) . . ?
Cl1 Sb1 Rb2 125.35(4) 3_466 . ?
Cl1 Sb1 Cl1 87.84(8) 3_466 . ?
F1 Sb1 Rb1 110.16(11) . 11_466 ?
F1 Sb1 Rb1 43.72(10) . . ?
F1 Sb1 Rb1 43.72(10) 7_665 . ?
F1 Sb1 Rb1 110.16(11) 7_665 11_466 ?
F1 Sb1 Rb2 113.83(10) . 13_546 ?
F1 Sb1 Rb2 113.83(10) 7_665 . ?
F1 Sb1 Rb2 41.52(11) 7_665 13_546 ?
F1 Sb1 Rb2 41.52(11) . . ?
F1 Sb1 Cl1 89.50(11) . . ?
F1 Sb1 Cl1 161.32(10) 7_665 . ?
F1 Sb1 Cl1 161.32(10) . 3_466 ?
F1 Sb1 Cl1 89.50(11) 7_665 3_466 ?
F1 Sb1 F1 87.1(2) 7_665 . ?
F2 Sb1 Rb1 37.09(16) . 11_466 ?
F2 Sb1 Rb1 77.18(17) . . ?
F2 Sb1 Rb2 58.39(3) . . ?
F2 Sb1 Rb2 58.39(3) . 13_546 ?
F2 Sb1 Cl1 77.65(12) . . ?
F2 Sb1 Cl1 77.66(12) . 3_466 ?
F2 Sb1 F1 83.72(15) . . ?
F2 Sb1 F1 83.72(15) . 7_665 ?
Sb1A Sb1 Rb1 167.3(7) . 11_466 ?
Sb1A Sb1 Rb1 78.4(6) . . ?
Sb1A Sb1 Rb2 114.3(3) . . ?
Sb1A Sb1 Rb2 114.3(3) . 13_546 ?
Sb1A Sb1 Cl1 118.6(4) . 3_466 ?
Sb1A Sb1 Cl1 118.6(4) . . ?
Sb1A Sb1 F1 78.7(5) . . ?
Sb1A Sb1 F1 78.7(5) . 7_665 ?
Sb1A Sb1 F2 155.6(7) . . ?
Cl1 Rb1 Cl1 68.86(2) 11_456 10_565 ?
Cl1 Rb1 Cl1 106.18(5) 12_656 11_456 ?
Cl1 Rb1 Cl1 68.86(2) 12_656 10_565 ?
Cl1 Rb1 Cl1 106.18(5) 9_545 10_565 ?
Cl1 Rb1 Cl1 68.86(2) 9_545 11_456 ?
Cl1 Rb1 Cl1 68.86(2) 12_656 9_545 ?
Cl1 Rb1 Sb1A 97.41(10) 11_456 2_665 ?
Cl1 Rb1 Sb1A 145.18(2) 9_545 . ?
Cl1 Rb1 Sb1A 97.41(10) 9_545 2_665 ?
Cl1 Rb1 Sb1A 97.41(10) 12_656 . ?
Cl1 Rb1 Sb1A 145.18(2) 11_456 . ?
Cl1 Rb1 Sb1A 145.18(2) 12_656 2_665 ?
Cl1 Rb1 Sb1A 145.18(2) 10_565 2_665 ?
Cl1 Rb1 Sb1A 97.41(10) 10_565 . ?
F1 Rb1 Cl1 106.77(6) . 10_565 ?
F1 Rb1 Cl1 172.57(6) 2_665 12_656 ?
F1 Rb1 Cl1 106.77(6) 2_665 9_545 ?
F1 Rb1 Cl1 172.57(6) . 11_456 ?
F1 Rb1 Cl1 118.52(6) 7_665 11_456 ?
F1 Rb1 Cl1 172.57(6) 7_665 9_545 ?
F1 Rb1 Cl1 76.96(7) 7_665 10_565 ?
F1 Rb1 Cl1 118.52(6) . 9_545 ?
F1 Rb1 Cl1 76.96(7) 2_665 11_456 ?
F1 Rb1 Cl1 106.77(6) 8 11_456 ?
F1 Rb1 Cl1 172.57(6) 8 10_565 ?
F1 Rb1 Cl1 76.96(7) 8 9_545 ?
F1 Rb1 Cl1 76.96(7) . 12_656 ?
F1 Rb1 Cl1 118.52(6) 8 12_656 ?
F1 Rb1 Cl1 118.52(6) 2_665 10_565 ?
F1 Rb1 Cl1 106.77(6) 7_665 12_656 ?
F1 Rb1 F1 54.09(11) . 7_665 ?
F1 Rb1 F1 76.90(13) 7_665 2_665 ?
F1 Rb1 F1 100.77(13) . 2_665 ?
F1 Rb1 F1 54.09(11) 2_665 8 ?
F1 Rb1 F1 100.77(13) 7_665 8 ?
F1 Rb1 F1 76.90(13) . 8 ?
F1 Rb1 F2 117.01(8) 7_665 12_656 ?
F1 Rb1 F2 117.01(8) 2_665 12_656 ?
F1 Rb1 F2 62.92(8) 8 12_656 ?
F1 Rb1 F2 117.01(8) 8 11_456 ?
F1 Rb1 F2 62.92(8) 2_665 11_456 ?
F1 Rb1 F2 62.92(8) . 12_656 ?
F1 Rb1 F2 62.92(8) 7_665 11_456 ?
F1 Rb1 F2 117.01(8) . 11_456 ?
F1 Rb1 Sb1A 27.77(6) 7_665 . ?
F1 Rb1 Sb1A 27.77(6) 2_665 2_665 ?
F1 Rb1 Sb1A 27.77(6) 8 2_665 ?
F1 Rb1 Sb1A 82.89(13) 7_665 2_665 ?
F1 Rb1 Sb1A 82.89(13) 8 . ?
F1 Rb1 Sb1A 82.89(13) . 2_665 ?
F1 Rb1 Sb1A 27.77(6) . . ?
F1 Rb1 Sb1A 82.89(13) 2_665 . ?
F2 Rb1 Cl1 55.61(6) 11_456 11_456 ?
F2 Rb1 Cl1 124.47(7) 11_456 9_545 ?
F2 Rb1 Cl1 124.47(7) 12_656 11_456 ?
F2 Rb1 Cl1 55.61(6) 12_656 9_545 ?
F2 Rb1 Cl1 55.61(6) 12_656 12_656 ?
F2 Rb1 Cl1 55.61(6) 11_456 10_565 ?
F2 Rb1 Cl1 124.47(7) 12_656 10_565 ?
F2 Rb1 Cl1 124.47(7) 11_456 12_656 ?
F2 Rb1 F2 179.89(18) 12_656 11_456 ?
F2 Rb1 Sb1A 89.96(7) 12_656 . ?
F2 Rb1 Sb1A 89.96(7) 12_656 2_665 ?
F2 Rb1 Sb1A 89.96(7) 11_456 . ?
F2 Rb1 Sb1A 89.96(7) 11_456 2_665 ?
Sb1A Rb1 Sb1A 75.5(2) . 2_665 ?
Cl1 Rb2 Cl1 128.62(3) 11_466 . ?
Cl1 Rb2 Cl1 128.62(3) 12_656 2_675 ?
Cl1 Rb2 Cl1 75.63(5) 11_466 12_656 ?
Cl1 Rb2 Cl1 75.63(5) 2_675 . ?
Cl1 Rb2 Cl1 128.62(3) 11_466 2_675 ?
Cl1 Rb2 Cl1 128.62(3) 12_656 . ?
Cl1 Rb2 F2 110.53(7) 2_675 . ?
Cl1 Rb2 F2 119.89(7) . 12_656 ?
Cl1 Rb2 F2 119.89(7) 12_656 2_675 ?
Cl1 Rb2 F2 52.76(8) . . ?
Cl1 Rb2 F2 75.88(8) 2_675 12_656 ?
Cl1 Rb2 F2 119.89(7) 2_675 11_466 ?
Cl1 Rb2 F2 52.77(8) 12_656 12_656 ?
Cl1 Rb2 F2 110.53(7) . 2_675 ?
Cl1 Rb2 F2 52.77(8) 11_466 11_466 ?
Cl1 Rb2 F2 75.88(8) 11_466 2_675 ?
Cl1 Rb2 F2 75.88(8) . 11_466 ?
Cl1 Rb2 F2 110.53(7) 12_656 11_466 ?
Cl1 Rb2 F2 119.89(7) 11_466 . ?
Cl1 Rb2 F2 52.77(8) 2_675 2_675 ?
Cl1 Rb2 F2 110.53(7) 11_466 12_656 ?
Cl1 Rb2 F2 75.88(8) 12_656 . ?
F1 Rb2 Cl1 78.58(7) . 12_656 ?
F1 Rb2 Cl1 153.33(7) 12_656 . ?
F1 Rb2 Cl1 153.32(7) . 11_466 ?
F1 Rb2 Cl1 65.19(6) 11_466 11_466 ?
F1 Rb2 Cl1 73.98(6) 2_675 . ?
F1 Rb2 Cl1 73.98(6) 12_656 11_466 ?
F1 Rb2 Cl1 153.32(7) 11_466 2_675 ?
F1 Rb2 Cl1 78.58(7) 2_675 11_466 ?
F1 Rb2 Cl1 65.19(6) . . ?
F1 Rb2 Cl1 73.98(6) 11_466 12_656 ?
F1 Rb2 Cl1 73.98(6) . 2_675 ?
F1 Rb2 Cl1 65.19(6) 2_675 2_675 ?
F1 Rb2 Cl1 78.58(7) 12_656 2_675 ?
F1 Rb2 Cl1 65.19(6) 12_656 12_656 ?
F1 Rb2 Cl1 153.32(7) 2_675 12_656 ?
F1 Rb2 Cl1 78.58(7) 11_466 . ?
F1 Rb2 F1 101.17(5) 12_656 . ?
F1 Rb2 F1 127.76(12) 2_675 . ?
F1 Rb2 F1 127.76(12) 12_656 11_466 ?
F1 Rb2 F1 101.18(5) 11_466 . ?
F1 Rb2 F1 101.17(5) 2_675 11_466 ?
F1 Rb2 F1 101.17(5) 12_656 2_675 ?
F1 Rb2 F2 45.48(10) 12_656 12_656 ?
F1 Rb2 F2 56.49(9) 2_675 11_466 ?
F1 Rb2 F2 56.49(9) 11_466 . ?
F1 Rb2 F2 124.02(11) 12_656 11_466 ?
F1 Rb2 F2 133.93(10) 11_466 2_675 ?
F1 Rb2 F2 133.93(10) 12_656 . ?
F1 Rb2 F2 56.49(9) 12_656 2_675 ?
F1 Rb2 F2 56.49(9) . 12_656 ?
F1 Rb2 F2 133.93(10) . 11_466 ?
F1 Rb2 F2 124.02(11) . 2_675 ?
F1 Rb2 F2 124.01(11) 2_675 . ?
F1 Rb2 F2 45.48(10) 11_466 11_466 ?
F1 Rb2 F2 124.02(11) 11_466 12_656 ?
F1 Rb2 F2 45.48(10) . . ?
F1 Rb2 F2 45.48(10) 2_675 2_675 ?
F1 Rb2 F2 133.93(10) 2_675 12_656 ?
F2 Rb2 F2 161.47(14) 11_466 12_656 ?
F2 Rb2 F2 91.49(2) 2_675 11_466 ?
F2 Rb2 F2 91.49(2) 12_656 . ?
F2 Rb2 F2 91.49(2) 11_466 . ?
F2 Rb2 F2 91.49(2) 2_675 12_656 ?
F2 Rb2 F2 161.47(14) 2_675 . ?
Sb1 Cl1 Sb1 179.43(8) 4_666 . ?
Sb1 Cl1 Rb1 95.99(4) 4_666 11_466 ?
Sb1 Cl1 Rb1 95.99(4) . 9_454 ?
Sb1 Cl1 Rb1 84.47(3) 4_666 9_454 ?
Sb1 Cl1 Rb1 84.47(3) . 11_466 ?
Sb1 Cl1 Rb2 97.41(3) 4_666 . ?
Sb1 Cl1 Rb2 82.24(2) . . ?
Sb1 Cl1 Rb2 82.24(2) 4_666 5_656 ?
Sb1 Cl1 Rb2 97.41(3) . 5_656 ?
Rb1 Cl1 Rb1 73.82(5) 9_454 11_466 ?
Rb2 Cl1 Rb1 90.904(14) 5_656 9_454 ?
Rb2 Cl1 Rb1 164.72(5) . 9_454 ?
Rb2 Cl1 Rb1 90.904(14) . 11_466 ?
Rb2 Cl1 Rb1 164.72(5) 5_656 11_466 ?
Rb2 Cl1 Rb2 104.37(5) . 5_656 ?
Sb1 F1 Rb1 109.15(13) . . ?
Sb1 F1 Rb2 112.77(15) . . ?
Rb1 F1 Rb2 112.52(10) . . ?
Sb1A F1 Sb1 18.3(2) . . ?
Sb1A F1 Rb1 106.59(19) . . ?
Sb1A F1 Rb2 128.0(3) . . ?
Sb1 F2 Rb1 120.6(2) . 11_466 ?
Sb1 F2 Rb2 94.34(8) . . ?
Sb1 F2 Rb2 94.34(8) . 13_546 ?
Sb1 F2 Sb1A 5.90(16) . . ?
Rb1 F2 Rb2 97.08(8) 11_466 . ?
Rb1 F2 Rb2 97.08(8) 11_466 13_546 ?
Rb2 F2 Rb2 156.61(16) . 13_546 ?
Sb1A F2 Rb1 126.5(2) . 11_466 ?
Sb1A F2 Rb2 93.21(8) . . ?
Sb1A F2 Rb2 93.21(8) . 13_546 ?
Sb1 Sb1A Rb1 160.5(7) . 3_566 ?
Sb1 Sb1A Rb1 92.8(7) . . ?
Sb1 Sb1A F1 83.0(6) . 7_665 ?
Sb1 Sb1A F1 83.0(6) . . ?
Sb1 Sb1A F2 18.5(5) . . ?
Rb1 Sb1A Rb1 106.68(17) . 3_566 ?
F1 Sb1A Rb1 110.5(3) . 3_566 ?
F1 Sb1A Rb1 45.64(17) . . ?
F1 Sb1A Rb1 110.5(3) 7_665 3_566 ?
F1 Sb1A Rb1 45.64(17) 7_665 . ?
F1 Sb1A F1 88.5(3) 7_665 . ?
F1 Sb1A F2 70.2(3) 7_665 . ?
F1 Sb1A F2 70.2(3) . . ?
F2 Sb1A Rb1 179.0(3) . 3_566 ?
F2 Sb1A Rb1 74.3(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rb1 Sb1 Sb1A Rb1 180.000(17) 11_466 . . . ?
Rb1 Sb1 Sb1A Rb1 180.000(19) . . . 3_566 ?
Rb1 Sb1 Sb1A Rb1 0.00(2) 11_466 . . 3_566 ?
Rb1 Sb1 Sb1A F1 -135.34(14) 11_466 . . 7_665 ?
Rb1 Sb1 Sb1A F1 44.66(13) . . . 7_665 ?
Rb1 Sb1 Sb1A F1 135.34(14) 11_466 . . . ?
Rb1 Sb1 Sb1A F1 -44.66(13) . . . . ?
Rb1 Sb1 Sb1A F2 180.00(2) 11_466 . . . ?
Rb1 Sb1 Sb1A F2 0.000(12) . . . . ?
Rb2 Sb1 Sb1A Rb1 113.5(3) 13_546 . . 3_566 ?
Rb2 Sb1 Sb1A Rb1 66.5(3) . . . . ?
Rb2 Sb1 Sb1A Rb1 -113.5(3) . . . 3_566 ?
Rb2 Sb1 Sb1A Rb1 -66.5(3) 13_546 . . . ?
Rb2 Sb1 Sb1A F1 21.9(4) . . . . ?
Rb2 Sb1 Sb1A F1 -21.9(4) 13_546 . . 7_665 ?
Rb2 Sb1 Sb1A F1 -111.2(2) 13_546 . . . ?
Rb2 Sb1 Sb1A F1 111.2(2) . . . 7_665 ?
Rb2 Sb1 Sb1A F2 66.5(3) . . . . ?
Rb2 Sb1 Sb1A F2 -66.5(3) 13_546 . . . ?
Cl1 Sb1 Sb1A Rb1 52.2(3) 3_466 . . 3_566 ?
Cl1 Sb1 Sb1A Rb1 127.8(3) . . . . ?
Cl1 Sb1 Sb1A Rb1 -127.8(3) 3_466 . . . ?
Cl1 Sb1 Sb1A Rb1 -52.2(3) . . . 3_566 ?
Cl1 Sb1 Sb1A F1 83.1(4) . . . . ?
Cl1 Sb1 Sb1A F1 -83.1(4) 3_466 . . 7_665 ?
Cl1 Sb1 Sb1A F1 172.5(2) . . . 7_665 ?
Cl1 Sb1 Sb1A F1 -172.4(2) 3_466 . . . ?
Cl1 Sb1 Sb1A F2 127.8(3) . . . . ?
Cl1 Sb1 Sb1A F2 -127.8(3) 3_466 . . . ?
F1 Sb1 Sb1A Rb1 -44.66(13) 7_665 . . . ?
F1 Sb1 Sb1A Rb1 -135.34(14) . . . 3_566 ?
F1 Sb1 Sb1A Rb1 44.66(13) . . . . ?
F1 Sb1 Sb1A Rb1 135.34(14) 7_665 . . 3_566 ?
F1 Sb1 Sb1A F1 -89.3(3) 7_665 . . . ?
F1 Sb1 Sb1A F1 89.3(3) . . . 7_665 ?
F1 Sb1 Sb1A F2 -44.66(14) 7_665 . . . ?
F1 Sb1 Sb1A F2 44.66(14) . . . . ?
F2 Sb1 Sb1A Rb1 0.000(9) . . . . ?
F2 Sb1 Sb1A Rb1 180.000(5) . . . 3_566 ?
F2 Sb1 Sb1A F1 -44.66(14) . . . . ?
F2 Sb1 Sb1A F1 44.66(13) . . . 7_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 2.145
_oxdiff_exptl_absorpt_empirical_full_min 0.629
