# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1499499'
_audit_update_record             
;
2016-08-17 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT434_3                   
;
PROBLEM: Short Inter HL..HL Contact Br3    ..  F4      ..       2.32 Ang.
RESPONSE: This is because of the covalent Br-F bond.
;
_vrf_PLAT987_3                   
;
PROBLEM: The Flack x is &gt;&gt; 0 -  Do a BASF/TWIN Refinement     Please Check
RESPONSE: Flack is 0.050(6). So, it is quite close to 0 and we do not think that a twin refinement is necessary in this case.
;
# Added during the CSD deposition process: Wednesday 17 August 2016 08:31 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'Rubidium decafluoridotribromate(III)'
_chemical_name_common            'Rubidium decafluoridotribromate(III)'
_chemical_formula_moiety         'Br3 F10 1-, Rb 1+'
_chemical_formula_sum            'Br3 F10 Rb'
_chemical_formula_weight         515.20

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   7.6219(3)
_cell_length_b                   8.2593(4)
_cell_length_c                   8.4645(4)
_cell_angle_alpha                90
_cell_angle_beta                 114.4140(10)
_cell_angle_gamma                90
_cell_volume                     485.21(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    115
_cell_measurement_theta_min      7.723
_cell_measurement_theta_max      57.68

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      3.6868
_exptl_crystal_density_method    'helium pycnometry'
_exptl_crystal_density_diffrn    3.526
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.245
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.159
_exptl_absorpt_coefficient_mu    17.566
_shelx_estimated_absorpt_T_min   0.099
_shelx_estimated_absorpt_T_max   0.167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4051
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71086    7.625    8.259    8.468   90.024  114.402   89.958
;
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 QUEST area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_standards_number         .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        .
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_reflns_number            15013
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.643
_diffrn_reflns_theta_max         35.843
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4132
_reflns_number_gt                3896
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.830
_reflns_Friedel_fraction_max     0.872
_reflns_Friedel_fraction_full    0.989

_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.
;

_computing_data_collection       'APEX2 (Bruker AXS, 2014)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2014)'
_computing_data_reduction        'APEX2 (Bruker AXS, 2014)'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v4.0.4 (Brandenburg, 2014)'
_computing_publication_material  'enCIFer v1.5.1 (CCDC, 2014)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0136P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014)'
_refine_ls_extinction_coef       0.0151(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1665 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.050(6)
_refine_ls_number_reflns         4132
_refine_ls_number_parameters     128
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0509
_refine_ls_wR_factor_gt          0.0498
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.89380(5) 0.43801(6) 0.36425(4) 0.01010(8) Uani 1 1 d . . . . .
Br1 Br 0.65875(5) 0.69457(5) 0.67890(5) 0.00882(8) Uani 1 1 d . . . . .
Br2 Br 0.82621(5) 0.25352(5) 0.82689(5) 0.00842(8) Uani 1 1 d . . . . .
Br3 Br 0.38664(5) 0.43555(6) 0.87581(5) 0.00919(8) Uani 1 1 d . . . . .
F1 F 0.2029(4) 0.3174(3) 0.6962(3) 0.0188(5) Uani 1 1 d . . . . .
F2 F 0.4645(3) 0.7742(3) 0.7318(3) 0.0169(5) Uani 1 1 d . . . . .
F3 F 0.8189(4) 0.2111(3) 0.6081(3) 0.0150(5) Uani 1 1 d . . . . .
F4 F 0.5931(3) 0.4425(3) 0.7372(3) 0.0154(4) Uani 1 1 d . . . . .
F5 F 0.8623(3) 0.6299(3) 0.6237(3) 0.0172(5) Uani 1 1 d . . . . .
F6 F 0.8515(4) 0.2787(3) 1.0514(3) 0.0185(5) Uani 1 1 d . . . . .
F7 F 0.2315(3) 0.4257(4) 0.9800(3) 0.0159(5) Uani 1 1 d . . . . .
F8 F 1.0103(3) 0.1094(3) 0.9066(3) 0.0142(5) Uani 1 1 d . . . . .
F9 F 0.5526(4) 0.5536(3) 1.0629(3) 0.0168(5) Uani 1 1 d . . . . .
F10 F 0.7064(4) 0.8938(3) 0.6370(3) 0.0179(5) 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
Rb1 F5 2.797(2) . ?
Rb1 F2 2.849(2) 2_646 ?
Rb1 F6 2.853(2) 1_554 ?
Rb1 F9 2.949(2) 1_554 ?
Rb1 F1 2.994(3) 1_655 ?
Rb1 F3 3.012(2) . ?
Rb1 F8 3.029(2) 2_756 ?
Rb1 F10 3.073(3) 2_746 ?
Rb1 F3 3.084(3) 2_756 ?
Rb1 F5 3.128(3) 2_746 ?
Rb1 F1 3.211(3) 2_656 ?
Rb1 Br2 4.1008(6) 2_756 ?
Br1 F10 1.752(2) . ?
Br1 F2 1.837(2) . ?
Br1 F5 1.874(2) . ?
Br1 F4 2.243(3) . ?
Br1 Rb1 4.1033(6) 2_756 ?
Br2 F8 1.749(2) . ?
Br2 F6 1.841(2) . ?
Br2 F3 1.863(2) . ?
Br2 F4 2.248(2) . ?
Br2 Rb1 4.1008(6) 2_746 ?
Br3 F7 1.745(2) . ?
Br3 F9 1.845(3) . ?
Br3 F1 1.861(2) . ?
F1 Rb1 2.994(3) 1_455 ?
F1 Rb1 3.211(3) 2_646 ?
F2 Rb1 2.849(2) 2_656 ?
F3 Rb1 3.084(3) 2_746 ?
F5 Rb1 3.128(3) 2_756 ?
F6 Rb1 2.853(2) 1_556 ?
F8 Rb1 3.029(2) 2_746 ?
F9 Rb1 2.949(2) 1_556 ?
F10 Rb1 3.073(3) 2_756 ?

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
F5 Rb1 F2 96.31(7) . 2_646 ?
F5 Rb1 F6 167.49(7) . 1_554 ?
F2 Rb1 F6 77.81(7) 2_646 1_554 ?
F5 Rb1 F9 99.47(7) . 1_554 ?
F2 Rb1 F9 60.53(7) 2_646 1_554 ?
F6 Rb1 F9 68.02(7) 1_554 1_554 ?
F5 Rb1 F1 75.00(7) . 1_655 ?
F2 Rb1 F1 113.56(7) 2_646 1_655 ?
F6 Rb1 F1 117.43(8) 1_554 1_655 ?
F9 Rb1 F1 171.83(7) 1_554 1_655 ?
F5 Rb1 F3 73.30(7) . . ?
F2 Rb1 F3 57.95(7) 2_646 . ?
F6 Rb1 F3 111.60(7) 1_554 . ?
F9 Rb1 F3 116.42(7) 1_554 . ?
F1 Rb1 F3 56.52(7) 1_655 . ?
F5 Rb1 F8 117.07(7) . 2_756 ?
F2 Rb1 F8 120.56(6) 2_646 2_756 ?
F6 Rb1 F8 58.89(7) 1_554 2_756 ?
F9 Rb1 F8 66.21(7) 1_554 2_756 ?
F1 Rb1 F8 121.55(7) 1_655 2_756 ?
F3 Rb1 F8 169.28(7) . 2_756 ?
F5 Rb1 F10 118.48(7) . 2_746 ?
F2 Rb1 F10 141.04(7) 2_646 2_746 ?
F6 Rb1 F10 70.96(7) 1_554 2_746 ?
F9 Rb1 F10 123.83(7) 1_554 2_746 ?
F1 Rb1 F10 64.34(7) 1_655 2_746 ?
F3 Rb1 F10 113.41(7) . 2_746 ?
F8 Rb1 F10 60.22(7) 2_756 2_746 ?
F5 Rb1 F3 79.32(7) . 2_756 ?
F2 Rb1 F3 159.35(7) 2_646 2_756 ?
F6 Rb1 F3 102.24(7) 1_554 2_756 ?
F9 Rb1 F3 100.00(7) 1_554 2_756 ?
F1 Rb1 F3 85.03(7) 1_655 2_756 ?
F3 Rb1 F3 137.11(3) . 2_756 ?
F8 Rb1 F3 47.94(6) 2_756 2_756 ?
F10 Rb1 F3 54.08(6) 2_746 2_756 ?
F5 Rb1 F5 132.67(4) . 2_746 ?
F2 Rb1 F5 96.29(7) 2_646 2_746 ?
F6 Rb1 F5 59.51(7) 1_554 2_746 ?
F9 Rb1 F5 126.24(7) 1_554 2_746 ?
F1 Rb1 F5 58.15(7) 1_655 2_746 ?
F3 Rb1 F5 75.50(6) . 2_746 ?
F8 Rb1 F5 94.53(6) 2_756 2_746 ?
F10 Rb1 F5 47.69(6) 2_746 2_746 ?
F3 Rb1 F5 101.47(7) 2_756 2_746 ?
F5 Rb1 F1 58.93(7) . 2_656 ?
F2 Rb1 F1 106.74(7) 2_646 2_656 ?
F6 Rb1 F1 111.83(7) 1_554 2_656 ?
F9 Rb1 F1 58.95(7) 1_554 2_656 ?
F1 Rb1 F1 120.92(7) 1_655 2_656 ?
F3 Rb1 F1 128.35(7) . 2_656 ?
F8 Rb1 F1 62.27(7) 2_756 2_656 ?
F10 Rb1 F1 106.14(7) 2_746 2_656 ?
F3 Rb1 F1 53.67(7) 2_756 2_656 ?
F5 Rb1 F1 153.28(6) 2_746 2_656 ?
F5 Rb1 Br2 100.21(5) . 2_756 ?
F2 Rb1 Br2 141.54(5) 2_646 2_756 ?
F6 Rb1 Br2 78.73(6) 1_554 2_756 ?
F9 Rb1 Br2 82.52(5) 1_554 2_756 ?
F1 Rb1 Br2 104.22(5) 1_655 2_756 ?
F3 Rb1 Br2 160.50(5) . 2_756 ?
F8 Rb1 Br2 22.62(4) 2_756 2_756 ?
F10 Rb1 Br2 52.83(5) 2_746 2_756 ?
F3 Rb1 Br2 25.36(4) 2_756 2_756 ?
F5 Rb1 Br2 97.52(4) 2_746 2_756 ?
F1 Rb1 Br2 55.92(5) 2_656 2_756 ?
F10 Br1 F2 88.19(12) . . ?
F10 Br1 F5 87.42(12) . . ?
F2 Br1 F5 175.57(11) . . ?
F10 Br1 F4 178.28(11) . . ?
F2 Br1 F4 90.19(10) . . ?
F5 Br1 F4 94.20(10) . . ?
F10 Br1 Rb1 43.32(9) . 2_756 ?
F2 Br1 Rb1 129.01(9) . 2_756 ?
F5 Br1 Rb1 46.62(8) . 2_756 ?
F4 Br1 Rb1 138.03(6) . 2_756 ?
F8 Br2 F6 87.34(11) . . ?
F8 Br2 F3 86.83(11) . . ?
F6 Br2 F3 174.15(11) . . ?
F8 Br2 F4 177.34(10) . . ?
F6 Br2 F4 90.08(10) . . ?
F3 Br2 F4 95.76(10) . . ?
F8 Br2 Rb1 41.77(7) . 2_746 ?
F6 Br2 Rb1 129.00(8) . 2_746 ?
F3 Br2 Rb1 45.15(8) . 2_746 ?
F4 Br2 Rb1 140.85(6) . 2_746 ?
F7 Br3 F9 87.60(11) . . ?
F7 Br3 F1 87.15(12) . . ?
F9 Br3 F1 174.71(12) . . ?
Br3 F1 Rb1 128.81(13) . 1_455 ?
Br3 F1 Rb1 133.41(12) . 2_646 ?
Rb1 F1 Rb1 97.78(7) 1_455 2_646 ?
Br1 F2 Rb1 151.02(12) . 2_656 ?
Br2 F3 Rb1 128.88(12) . . ?
Br2 F3 Rb1 109.49(10) . 2_746 ?
Rb1 F3 Rb1 100.22(7) . 2_746 ?
Br1 F4 Br2 120.11(10) . . ?
Br1 F5 Rb1 134.90(12) . . ?
Br1 F5 Rb1 107.58(11) . 2_756 ?
Rb1 F5 Rb1 104.12(7) . 2_756 ?
Br2 F6 Rb1 158.98(14) . 1_556 ?
Br2 F8 Rb1 115.61(10) . 2_746 ?
Br3 F9 Rb1 128.19(12) . 1_556 ?
Br1 F10 Rb1 113.64(12) . 2_756 ?

_refine_diff_density_max         1.221
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.215


_chemical_properties_physical    ', Moisture-sensitive,Hygroscopic'
####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1499500'
_audit_update_record             
;
2016-08-17 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT434_3                   
;
PROBLEM: Short Inter HL..HL Contact Br3    ..  F1      ..       2.33 Ang.
RESPONSE: This is due to the Br-F bond.
;
# Added during the CSD deposition process: Wednesday 17 August 2016 08:31 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'Cesium decafluoridotribromate(III)'
_chemical_name_common            'Cesium decafluoridotribromate(III)'
_chemical_formula_moiety         'Br3 F10 1-, Cs 1+'
_chemical_formula_sum            'Br3 Cs F10'
_chemical_formula_weight         562.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   7.7499(16)
_cell_length_b                   8.4037(17)
_cell_length_c                   8.8365(18)
_cell_angle_alpha                90
_cell_angle_beta                 115.51(3)
_cell_angle_gamma                90
_cell_volume                     519.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2724
_cell_measurement_theta_min      4.64
_cell_measurement_theta_max      59.97

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      3.4599
_exptl_crystal_density_method    'helium pycnometry'
_exptl_crystal_density_diffrn    3.597
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.024
_exptl_absorpt_coefficient_mu    15.208
_shelx_estimated_absorpt_T_min   0.286
_shelx_estimated_absorpt_T_max   0.712
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.4217
_exptl_absorpt_correction_T_max  0.7078
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 -1 30 0.0106
3 1 -30 0.0109
0 30 -1 0.0529
0 -1 0 0.0524
30 1 -16 0.0221
-30 -1 13 0.0225

_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate ( 34 cm diameter )'
_diffrn_detector_type            STOE
_diffrn_detector_area_resol_mean 6.67
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_collimation    '0.5 mm, multiple pinhole'
_diffrn_ambient_temperature      100
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 231 frames, detector distance = 80 mm
;

_diffrn_reflns_number            4233
_diffrn_reflns_av_unetI/netI     0.1449
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.912
_diffrn_reflns_theta_max         31.900
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_point_group_measured_fraction_full 0.907
_reflns_number_total             3195
_reflns_number_gt                2038
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.727
_reflns_Friedel_fraction_max     0.802
_reflns_Friedel_fraction_full    0.832

_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.
;

_computing_data_collection       'X-Area v1.69 (Stoe, 2013)'
_computing_cell_refinement       'X-Area v1.69 (Stoe, 2013)'
_computing_data_reduction        'X-Area v1.69 (Stoe, 2013)'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v4.0.4 (Brandenburg, 2014)'
_computing_publication_material  'enCIFer v1.5.1 (CCDC, 2014)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0246P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0056(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_number_reflns         3195
_refine_ls_number_parameters     128
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0732
_refine_ls_wR_factor_gt          0.0683
_refine_ls_goodness_of_fit_ref   0.790
_refine_ls_restrained_S_all      0.790
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.09291(11) 0.44504(10) 0.62722(11) 0.0156(2) Uani 1 1 d . . . . .
Br1 Br 0.1823(2) 0.25535(15) 0.16540(19) 0.0154(3) Uani 1 1 d . . . . .
Br2 Br 0.35507(19) 0.69067(16) 0.31356(18) 0.0161(3) Uani 1 1 d . . . . .
Br3 Br 0.61514(17) 0.4319(2) 0.1164(2) 0.0158(3) Uani 1 1 d . . . . .
F1 F 0.4077(10) 0.4455(12) 0.2438(10) 0.0236(16) Uani 1 1 d . . . . .
F2 F 0.7711(11) 0.4176(11) 0.0216(11) 0.025(2) Uani 1 1 d . . . . .
F3 F 0.1581(13) 0.6363(10) 0.3740(12) 0.027(2) Uani 1 1 d . . . . .
F4 F 0.2019(12) 0.2194(10) 0.3812(11) 0.025(2) Uani 1 1 d . . . . .
F5 F 0.1491(13) 0.2748(11) -0.0516(12) 0.029(2) Uani 1 1 d . . . . .
F6 F 0.4582(12) 0.5512(10) -0.0624(12) 0.027(2) Uani 1 1 d . . . . .
F7 F 0.5442(11) 0.7637(10) 0.2571(11) 0.0236(19) Uani 1 1 d . . . . .
F8 F 0.7921(12) 0.3090(9) 0.2890(12) 0.0246(19) Uani 1 1 d . . . . .
F9 F 0.3288(12) 0.8888(8) 0.3672(13) 0.027(2) Uani 1 1 d . . . . .
F10 F 0.0036(12) 0.1101(10) 0.0942(11) 0.0236(19) 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
Cs1 F7 2.967(8) 2_646 ?
Cs1 F3 2.969(8) . ?
Cs1 F5 3.038(9) 1_556 ?
Cs1 F6 3.106(10) 1_556 ?
Cs1 F8 3.110(10) 1_455 ?
Cs1 F10 3.183(7) 2_556 ?
Cs1 F8 3.183(8) 2_656 ?
Cs1 F4 3.225(8) 2_556 ?
Cs1 F3 3.240(8) 2_546 ?
Cs1 F4 3.258(8) . ?
Cs1 F9 3.323(8) 2_546 ?
Cs1 Br1 4.2513(16) 2_556 ?
Br1 F10 1.747(8) . ?
Br1 F5 1.829(9) . ?
Br1 F4 1.871(8) . ?
Br1 F1 2.246(9) . ?
Br1 Cs1 4.2513(16) 2_546 ?
Br2 F9 1.767(7) . ?
Br2 F7 1.845(7) . ?
Br2 F3 1.878(7) . ?
Br2 F1 2.238(10) . ?
Br3 F2 1.746(6) . ?
Br3 F6 1.824(10) . ?
Br3 F8 1.864(9) . ?
F3 Cs1 3.240(8) 2_556 ?
F4 Cs1 3.225(8) 2_546 ?
F5 Cs1 3.038(9) 1_554 ?
F6 Cs1 3.106(10) 1_554 ?
F7 Cs1 2.967(8) 2_656 ?
F8 Cs1 3.110(10) 1_655 ?
F8 Cs1 3.183(8) 2_646 ?
F9 Cs1 3.323(8) 2_556 ?
F10 Cs1 3.183(7) 2_546 ?

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
F7 Cs1 F3 95.4(2) 2_646 . ?
F7 Cs1 F5 72.7(2) 2_646 1_556 ?
F3 Cs1 F5 163.0(2) . 1_556 ?
F7 Cs1 F6 58.3(2) 2_646 1_556 ?
F3 Cs1 F6 97.1(3) . 1_556 ?
F5 Cs1 F6 66.5(2) 1_556 1_556 ?
F7 Cs1 F8 110.5(2) 2_646 1_455 ?
F3 Cs1 F8 77.0(3) . 1_455 ?
F5 Cs1 F8 118.1(2) 1_556 1_455 ?
F6 Cs1 F8 167.2(2) 1_556 1_455 ?
F7 Cs1 F10 117.4(2) 2_646 2_556 ?
F3 Cs1 F10 121.3(2) . 2_556 ?
F5 Cs1 F10 58.0(2) 1_556 2_556 ?
F6 Cs1 F10 67.7(2) 1_556 2_556 ?
F8 Cs1 F10 125.1(2) 1_455 2_556 ?
F7 Cs1 F8 106.5(2) 2_646 2_656 ?
F3 Cs1 F8 62.2(2) . 2_656 ?
F5 Cs1 F8 108.8(2) 1_556 2_656 ?
F6 Cs1 F8 57.4(2) 1_556 2_656 ?
F8 Cs1 F8 126.6(2) 1_455 2_656 ?
F10 Cs1 F8 62.4(2) 2_556 2_656 ?
F7 Cs1 F4 158.8(2) 2_646 2_556 ?
F3 Cs1 F4 86.8(2) . 2_556 ?
F5 Cs1 F4 100.0(2) 1_556 2_556 ?
F6 Cs1 F4 100.5(2) 1_556 2_556 ?
F8 Cs1 F4 90.6(2) 1_455 2_556 ?
F10 Cs1 F4 46.0(2) 2_556 2_556 ?
F8 Cs1 F4 56.1(2) 2_656 2_556 ?
F7 Cs1 F3 93.9(2) 2_646 2_546 ?
F3 Cs1 F3 136.68(13) . 2_546 ?
F5 Cs1 F3 58.0(2) 1_556 2_546 ?
F6 Cs1 F3 123.4(2) 1_556 2_546 ?
F8 Cs1 F3 60.1(2) 1_455 2_546 ?
F10 Cs1 F3 90.6(2) 2_556 2_546 ?
F8 Cs1 F3 151.41(19) 2_656 2_546 ?
F4 Cs1 F3 98.9(2) 2_556 2_546 ?
F7 Cs1 F4 56.7(2) 2_646 . ?
F3 Cs1 F4 68.59(19) . . ?
F5 Cs1 F4 112.0(2) 1_556 . ?
F6 Cs1 F4 110.9(2) 1_556 . ?
F8 Cs1 F4 56.5(2) 1_455 . ?
F10 Cs1 F4 169.9(2) 2_556 . ?
F8 Cs1 F4 126.0(2) 2_656 . ?
F4 Cs1 F4 141.77(9) 2_556 . ?
F3 Cs1 F4 81.93(19) 2_546 . ?
F7 Cs1 F9 135.6(2) 2_646 2_546 ?
F3 Cs1 F9 125.1(2) . 2_546 ?
F5 Cs1 F9 70.4(2) 1_556 2_546 ?
F6 Cs1 F9 123.8(2) 1_556 2_546 ?
F8 Cs1 F9 68.1(2) 1_455 2_546 ?
F10 Cs1 F9 59.4(2) 2_556 2_546 ?
F8 Cs1 F9 108.18(19) 2_656 2_546 ?
F4 Cs1 F9 53.87(19) 2_556 2_546 ?
F3 Cs1 F9 45.04(19) 2_546 2_546 ?
F4 Cs1 F9 117.8(2) . 2_546 ?
F7 Cs1 Br1 138.04(17) 2_646 2_556 ?
F3 Cs1 Br1 105.82(17) . 2_556 ?
F5 Cs1 Br1 77.45(17) 1_556 2_556 ?
F6 Cs1 Br1 83.04(15) 1_556 2_556 ?
F8 Cs1 Br1 109.39(14) 1_455 2_556 ?
F10 Cs1 Br1 21.66(16) 2_556 2_556 ?
F8 Cs1 Br1 56.81(14) 2_656 2_556 ?
F4 Cs1 Br1 24.39(15) 2_556 2_556 ?
F3 Cs1 Br1 94.64(13) 2_546 2_556 ?
F4 Cs1 Br1 165.22(16) . 2_556 ?
F9 Cs1 Br1 53.25(13) 2_546 2_556 ?
F10 Br1 F5 87.3(4) . . ?
F10 Br1 F4 87.6(4) . . ?
F5 Br1 F4 174.9(4) . . ?
F10 Br1 F1 177.2(4) . . ?
F5 Br1 F1 90.0(3) . . ?
F4 Br1 F1 95.1(3) . . ?
F10 Br1 Cs1 42.2(3) . 2_546 ?
F5 Br1 Cs1 129.5(3) . 2_546 ?
F4 Br1 Cs1 45.4(3) . 2_546 ?
F1 Br1 Cs1 140.5(2) . 2_546 ?
F9 Br2 F7 87.5(4) . . ?
F9 Br2 F3 87.2(4) . . ?
F7 Br2 F3 174.6(4) . . ?
F9 Br2 F1 175.8(3) . . ?
F7 Br2 F1 88.4(3) . . ?
F3 Br2 F1 96.9(3) . . ?
F2 Br3 F6 87.9(4) . . ?
F2 Br3 F8 86.4(4) . . ?
F6 Br3 F8 174.3(4) . . ?
Br2 F1 Br1 122.0(3) . . ?
Br2 F3 Cs1 140.3(4) . . ?
Br2 F3 Cs1 111.4(3) . 2_556 ?
Cs1 F3 Cs1 98.0(2) . 2_556 ?
Br1 F4 Cs1 110.2(4) . 2_546 ?
Br1 F4 Cs1 131.0(4) . . ?
Cs1 F4 Cs1 92.68(18) 2_546 . ?
Br1 F5 Cs1 157.0(5) . 1_554 ?
Br3 F6 Cs1 128.4(4) . 1_554 ?
Br2 F7 Cs1 145.4(4) . 2_656 ?
Br3 F8 Cs1 124.5(4) . 1_655 ?
Br3 F8 Cs1 139.2(4) . 2_646 ?
Cs1 F8 Cs1 96.4(2) 1_655 2_646 ?
Br2 F9 Cs1 111.5(3) . 2_556 ?
Br1 F10 Cs1 116.1(4) . 2_546 ?

_refine_diff_density_max         1.428
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.275


_chemical_properties_physical    ', Moisture-sensitive'
####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1499501'
_audit_update_record             
;
2016-08-17 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'Rubidium Heptafluoridodibromate(III)'
_chemical_name_common            'Rubidium Heptafluoridodibromate(III)'
_chemical_formula_moiety         'Br2 F7 1-, Rb 1+'
_chemical_formula_sum            'Br2 F7 Rb'
_chemical_formula_weight         378.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   7.5109(3)
_cell_length_b                   7.8759(3)
_cell_length_c                   13.6898(5)
_cell_angle_alpha                90
_cell_angle_beta                 123.118(2)
_cell_angle_gamma                90
_cell_volume                     678.26(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    8204
_cell_measurement_theta_min      3.14
_cell_measurement_theta_max      30.20

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      3.7858
_exptl_crystal_density_method    'helium pycnometry'
_exptl_crystal_density_diffrn    3.705
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.068
_exptl_absorpt_coefficient_mu    19.143
_shelx_estimated_absorpt_T_min   0.123
_shelx_estimated_absorpt_T_max   0.356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6285
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_special_details           
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71079    7.519    7.890   13.709   90.005  123.117   90.002
;
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 QUEST area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_standards_number         .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        .
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_reflns_number            19165
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.138
_diffrn_reflns_theta_max         30.362
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             2035
_reflns_number_gt                1703
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker AXS, 2014)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2014)'
_computing_data_reduction        'APEX2 (Bruker AXS, 2014)'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v4.0.4 (Brandenburg, 2014)'
_computing_publication_material  'enCIFer v1.5.1 (CCDC, 2014)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0251P)²+0.1531P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   .
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014)'
_refine_ls_extinction_coef       0.0032(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2035
_refine_ls_number_parameters     92
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0225
_refine_ls_wR_factor_ref         0.0507
_refine_ls_wR_factor_gt          0.0476
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.73492(4) 1.08682(3) 0.31085(2) 0.01233(8) Uani 1 1 d . . . . .
Br1 Br 0.55791(4) 0.77734(3) 0.51544(2) 0.00862(8) Uani 1 1 d . . . . .
Br2 Br -0.01426(4) 0.58459(3) 0.37637(2) 0.00965(8) Uani 1 1 d . . . . .
F1 F 0.2901(3) 0.6173(2) 0.40479(15) 0.0154(4) Uani 1 1 d . . . . .
F2 F -0.0018(3) 0.7899(2) 0.45135(16) 0.0209(4) Uani 1 1 d . . . . .
F3 F 0.5799(3) 0.7180(2) 0.65395(15) 0.0168(4) Uani 1 1 d . . . . .
F4 F 0.5414(3) 0.8508(2) 0.38196(15) 0.0169(4) Uani 1 1 d . . . . .
F5 F 0.7794(3) 0.9130(2) 0.59620(16) 0.0173(4) Uani 1 1 d . . . . .
F6 F -0.0360(3) 0.3814(2) 0.30362(17) 0.0205(4) Uani 1 1 d . . . . .
F7 F -0.2675(3) 0.5417(3) 0.35293(16) 0.0213(4) 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
Rb1 F4 2.8390(17) . ?
Rb1 F1 2.8638(18) 2_655 ?
Rb1 F2 2.9031(18) 3_676 ?
Rb1 F6 2.9220(19) 1_665 ?
Rb1 F7 2.9795(17) 2 ?
Rb1 F2 2.9870(19) 1_655 ?
Rb1 F3 3.0002(17) 4_575 ?
Rb1 F3 3.0707(19) 3_676 ?
Rb1 F4 3.1003(18) 2_655 ?
Rb1 F5 3.1390(18) 3_776 ?
Rb1 Br1 4.0380(4) 2_655 ?
Rb1 Br2 4.1047(4) 2_655 ?
Br1 F5 1.7670(17) . ?
Br1 F4 1.8553(17) . ?
Br1 F3 1.8707(17) . ?
Br1 F1 2.1448(17) . ?
Br1 Rb1 4.0381(4) 2_645 ?
Br2 F7 1.7799(17) . ?
Br2 F6 1.8446(18) . ?
Br2 F2 1.8900(18) . ?
Br2 F1 2.1147(17) . ?
Br2 Rb1 4.1046(4) 2_645 ?
F1 Rb1 2.8638(18) 2_645 ?
F2 Rb1 2.9031(18) 3_676 ?
F2 Rb1 2.9870(19) 1_455 ?
F3 Rb1 3.0003(17) 4_576 ?
F3 Rb1 3.0706(18) 3_676 ?
F4 Rb1 3.1004(18) 2_645 ?
F5 Rb1 3.1390(18) 3_776 ?
F6 Rb1 2.9219(18) 1_445 ?
F7 Rb1 2.9795(17) 2_545 ?

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
F4 Rb1 F1 130.60(5) . 2_655 ?
F4 Rb1 F2 90.21(5) . 3_676 ?
F1 Rb1 F2 138.08(5) 2_655 3_676 ?
F4 Rb1 F6 162.29(5) . 1_665 ?
F1 Rb1 F6 66.84(5) 2_655 1_665 ?
F2 Rb1 F6 73.37(5) 3_676 1_665 ?
F4 Rb1 F7 64.31(5) . 2 ?
F1 Rb1 F7 81.23(5) 2_655 2 ?
F2 Rb1 F7 133.76(5) 3_676 2 ?
F6 Rb1 F7 122.88(5) 1_665 2 ?
F4 Rb1 F2 63.22(5) . 1_655 ?
F1 Rb1 F2 112.15(5) 2_655 1_655 ?
F2 Rb1 F2 74.41(6) 3_676 1_655 ?
F6 Rb1 F2 116.65(5) 1_665 1_655 ?
F7 Rb1 F2 118.97(5) 2 1_655 ?
F4 Rb1 F3 69.53(5) . 4_575 ?
F1 Rb1 F3 63.12(5) 2_655 4_575 ?
F2 Rb1 F3 146.16(5) 3_676 4_575 ?
F6 Rb1 F3 128.07(5) 1_665 4_575 ?
F7 Rb1 F3 61.89(5) 2 4_575 ?
F2 Rb1 F3 72.30(5) 1_655 4_575 ?
F4 Rb1 F3 72.04(5) . 3_676 ?
F1 Rb1 F3 119.82(5) 2_655 3_676 ?
F2 Rb1 F3 77.05(5) 3_676 3_676 ?
F6 Rb1 F3 97.24(5) 1_665 3_676 ?
F7 Rb1 F3 59.08(5) 2 3_676 ?
F2 Rb1 F3 125.90(5) 1_655 3_676 ?
F3 Rb1 F3 118.81(3) 4_575 3_676 ?
F4 Rb1 F4 120.06(2) . 2_655 ?
F1 Rb1 F4 55.24(5) 2_655 2_655 ?
F2 Rb1 F4 117.47(5) 3_676 2_655 ?
F6 Rb1 F4 64.62(5) 1_665 2_655 ?
F7 Rb1 F4 58.26(5) 2 2_655 ?
F2 Rb1 F4 166.66(5) 1_655 2_655 ?
F3 Rb1 F4 96.30(5) 4_575 2_655 ?
F3 Rb1 F4 65.37(4) 3_676 2_655 ?
F4 Rb1 F5 124.09(5) . 3_776 ?
F1 Rb1 F5 79.92(5) 2_655 3_776 ?
F2 Rb1 F5 66.90(5) 3_676 3_776 ?
F6 Rb1 F5 55.81(5) 1_665 3_776 ?
F7 Rb1 F5 159.33(5) 2 3_776 ?
F2 Rb1 F5 61.68(5) 1_655 3_776 ?
F3 Rb1 F5 101.60(5) 4_575 3_776 ?
F3 Rb1 F5 139.47(5) 3_676 3_776 ?
F4 Rb1 F5 115.72(5) 2_655 3_776 ?
F4 Rb1 Br1 123.44(4) . 2_655 ?
F1 Rb1 Br1 30.60(3) 2_655 2_655 ?
F2 Rb1 Br1 137.83(4) 3_676 2_655 ?
F6 Rb1 Br1 69.05(4) 1_665 2_655 ?
F7 Rb1 Br1 60.41(4) 2 2_655 ?
F2 Rb1 Br1 140.54(4) 1_655 2_655 ?
F3 Rb1 Br1 75.03(3) 4_575 2_655 ?
F3 Rb1 Br1 89.25(3) 3_676 2_655 ?
F4 Rb1 Br1 26.15(3) 2_655 2_655 ?
F5 Rb1 Br1 104.97(3) 3_776 2_655 ?
F4 Rb1 Br2 138.02(4) . 2_655 ?
F1 Rb1 Br2 28.92(3) 2_655 2_655 ?
F2 Rb1 Br2 115.23(4) 3_676 2_655 ?
F6 Rb1 Br2 58.06(4) 1_665 2_655 ?
F7 Rb1 Br2 108.89(4) 2 2_655 ?
F2 Rb1 Br2 90.83(4) 1_655 2_655 ?
F3 Rb1 Br2 71.36(4) 4_575 2_655 ?
F3 Rb1 Br2 143.15(3) 3_676 2_655 ?
F4 Rb1 Br2 78.70(3) 2_655 2_655 ?
F5 Rb1 Br2 51.38(3) 3_776 2_655 ?
Br1 Rb1 Br2 57.736(7) 2_655 2_655 ?
F5 Br1 F4 87.76(8) . . ?
F5 Br1 F3 89.16(8) . . ?
F4 Br1 F3 176.16(8) . . ?
F5 Br1 F1 175.17(8) . . ?
F4 Br1 F1 87.46(7) . . ?
F3 Br1 F1 95.65(7) . . ?
F5 Br1 Rb1 132.41(6) . 2_645 ?
F4 Br1 Rb1 47.43(6) . 2_645 ?
F3 Br1 Rb1 136.19(6) . 2_645 ?
F1 Br1 Rb1 42.82(5) . 2_645 ?
F7 Br2 F6 88.12(9) . . ?
F7 Br2 F2 89.50(9) . . ?
F6 Br2 F2 177.55(9) . . ?
F7 Br2 F1 176.04(8) . . ?
F6 Br2 F1 88.45(8) . . ?
F2 Br2 F1 93.92(8) . . ?
F7 Br2 Rb1 138.48(6) . 2_645 ?
F6 Br2 Rb1 65.87(6) . 2_645 ?
F2 Br2 Rb1 116.43(6) . 2_645 ?
F1 Br2 Rb1 40.92(5) . 2_645 ?
Br2 F1 Br1 134.75(9) . . ?
Br2 F1 Rb1 110.16(7) . 2_645 ?
Br1 F1 Rb1 106.58(6) . 2_645 ?
Br2 F2 Rb1 133.95(9) . 3_676 ?
Br2 F2 Rb1 120.08(8) . 1_455 ?
Rb1 F2 Rb1 105.59(6) 3_676 1_455 ?
Br1 F3 Rb1 135.26(8) . 4_576 ?
Br1 F3 Rb1 112.65(7) . 3_676 ?
Rb1 F3 Rb1 108.61(5) 4_576 3_676 ?
Br1 F4 Rb1 140.42(9) . . ?
Br1 F4 Rb1 106.42(7) . 2_645 ?
Rb1 F4 Rb1 112.16(6) . 2_645 ?
Br1 F5 Rb1 137.92(8) . 3_776 ?
Br2 F6 Rb1 123.41(9) . 1_445 ?
Br2 F7 Rb1 144.76(9) . 2_545 ?

_refine_diff_density_max         0.942
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.172


_chemical_properties_physical    ', Moisture-sensitive'
