# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_0620_6_0ma
_database_code_depnum_ccdc_archive 'CCDC 1900526'
_audit_update_record             
;
2019-03-01 deposited with the CCDC.	2019-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'F4 O8 Rb2 S2 Sb2'
_chemical_formula_weight         682.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

_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, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   9.5712(8)
_cell_length_b                   11.5067(8)
_cell_length_c                   5.1983(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     572.50(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2492
_cell_measurement_theta_min      5.542
_cell_measurement_theta_max      56.160

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.960
_exptl_crystal_F_000             616
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    13.614
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            4602
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_theta_min         2.768
_diffrn_reflns_theta_max         28.256
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             1327
_reflns_number_gt                1166
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.708
_reflns_Friedel_fraction_max     0.874
_reflns_Friedel_fraction_full    0.921

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0570P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 431 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.06(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1327
_refine_ls_number_parameters     82
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.0924
_refine_ls_wR_factor_gt          0.0889
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_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
Sb1 Sb -0.66944(6) -0.58173(5) -0.9765(2) 0.0223(2) Uani 1 1 d . . . . .
Rb1 Rb -0.51516(9) -0.15889(7) 0.0231(3) 0.0267(2) Uani 1 1 d . . . . .
S1 S -0.7039(3) -0.3654(2) -0.5209(6) 0.0259(7) Uani 1 1 d . . . . .
F2 F -0.6776(7) -0.6558(6) -0.6430(14) 0.0290(15) Uani 1 1 d . . . . .
O4 O -0.5846(9) -0.3345(7) -0.3586(17) 0.0296(17) Uani 1 1 d . . . . .
F1 F -0.8708(7) -0.5629(6) -0.9419(18) 0.0293(17) Uani 1 1 d . . . . .
O2 O -0.8031(10) -0.4393(8) -0.3938(19) 0.034(2) Uani 1 1 d . . . . .
O1 O -0.7770(10) -0.2601(8) -0.6229(18) 0.0314(19) Uani 1 1 d . . . . .
O3 O -0.6458(10) -0.4237(7) -0.762(2) 0.032(2) 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
Sb1 F2 1.933(7) . ?
Sb1 F1 1.947(6) . ?
Sb1 O3 2.146(9) . ?
Sb1 O1 2.248(9) 4_344 ?
Sb1 Rb1 4.0799(16) 4_344 ?
Sb1 Rb1 4.0828(16) 4_343 ?
Sb1 Rb1 4.3145(11) 3_444 ?
Sb1 Rb1 4.3328(16) 2_444 ?
Sb1 Rb1 4.3355(15) 2_443 ?
Rb1 F1 2.873(9) 4_355 ?
Rb1 F1 2.908(7) 3_546 ?
Rb1 O4 2.909(8) . ?
Rb1 F2 2.950(7) 2_445 ?
Rb1 F2 3.065(7) 4_355 ?
Rb1 O1 3.075(9) 3_546 ?
Rb1 O2 3.098(9) 4_355 ?
Rb1 O2 3.177(10) 3_545 ?
Rb1 F1 3.185(9) 4_356 ?
Rb1 O1 3.320(10) 1_556 ?
Rb1 O3 3.478(9) 1_556 ?
Rb1 S1 3.812(3) 1_556 ?
S1 O2 1.436(10) . ?
S1 O4 1.463(9) . ?
S1 O1 1.497(9) . ?
S1 O3 1.525(10) . ?
S1 Rb1 3.812(3) 1_554 ?
S1 Rb1 3.818(3) 3_444 ?
F2 Rb1 2.949(7) 2_444 ?
F2 Rb1 3.065(7) 4_344 ?
F1 Rb1 2.873(9) 4_344 ?
F1 Rb1 2.908(7) 3_444 ?
F1 Rb1 3.185(9) 4_343 ?
O2 Rb1 3.098(9) 4_344 ?
O2 Rb1 3.177(10) 3_445 ?
O1 Sb1 2.248(9) 4_355 ?
O1 Rb1 3.075(9) 3_444 ?
O1 Rb1 3.320(10) 1_554 ?
O3 Rb1 3.478(9) 1_554 ?

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
F2 Sb1 F1 85.8(4) . . ?
F2 Sb1 O3 84.9(3) . . ?
F1 Sb1 O3 87.8(3) . . ?
F2 Sb1 O1 83.8(3) . 4_344 ?
F1 Sb1 O1 84.7(3) . 4_344 ?
O3 Sb1 O1 166.9(3) . 4_344 ?
F2 Sb1 Rb1 45.8(2) . 4_344 ?
F1 Sb1 Rb1 39.9(3) . 4_344 ?
O3 Sb1 Rb1 86.1(3) . 4_344 ?
O1 Sb1 Rb1 81.3(2) 4_344 4_344 ?
F2 Sb1 Rb1 116.5(2) . 4_343 ?
F1 Sb1 Rb1 49.6(3) . 4_343 ?
O3 Sb1 Rb1 126.4(3) . 4_343 ?
O1 Sb1 Rb1 54.3(3) 4_344 4_343 ?
Rb1 Sb1 Rb1 79.11(2) 4_344 4_343 ?
F2 Sb1 Rb1 104.6(2) . 3_444 ?
F1 Sb1 Rb1 33.88(19) . 3_444 ?
O3 Sb1 Rb1 62.4(3) . 3_444 ?
O1 Sb1 Rb1 114.2(2) 4_344 3_444 ?
Rb1 Sb1 Rb1 64.69(2) 4_344 3_444 ?
Rb1 Sb1 Rb1 64.67(2) 4_343 3_444 ?
F2 Sb1 Rb1 34.5(2) . 2_444 ?
F1 Sb1 Rb1 115.1(2) . 2_444 ?
O3 Sb1 Rb1 103.3(3) . 2_444 ?
O1 Sb1 Rb1 70.6(2) 4_344 2_444 ?
Rb1 Sb1 Rb1 76.72(3) 4_344 2_444 ?
Rb1 Sb1 Rb1 122.249(16) 4_343 2_444 ?
Rb1 Sb1 Rb1 139.03(5) 3_444 2_444 ?
F2 Sb1 Rb1 104.6(2) . 2_443 ?
F1 Sb1 Rb1 122.4(2) . 2_443 ?
O3 Sb1 Rb1 148.5(3) . 2_443 ?
O1 Sb1 Rb1 42.4(2) 4_344 2_443 ?
Rb1 Sb1 Rb1 122.252(16) 4_344 2_443 ?
Rb1 Sb1 Rb1 76.66(3) 4_343 2_443 ?
Rb1 Sb1 Rb1 138.94(5) 3_444 2_443 ?
Rb1 Sb1 Rb1 73.696(17) 2_444 2_443 ?
F1 Rb1 F1 84.0(2) 4_355 3_546 ?
F1 Rb1 O4 66.8(2) 4_355 . ?
F1 Rb1 O4 139.5(3) 3_546 . ?
F1 Rb1 F2 105.6(2) 4_355 2_445 ?
F1 Rb1 F2 110.8(2) 3_546 2_445 ?
O4 Rb1 F2 56.0(2) . 2_445 ?
F1 Rb1 F2 52.7(2) 4_355 4_355 ?
F1 Rb1 F2 117.6(2) 3_546 4_355 ?
O4 Rb1 F2 66.2(2) . 4_355 ?
F2 Rb1 F2 121.76(18) 2_445 4_355 ?
F1 Rb1 O1 154.4(2) 4_355 3_546 ?
F1 Rb1 O1 82.9(2) 3_546 3_546 ?
O4 Rb1 O1 111.5(2) . 3_546 ?
F2 Rb1 O1 59.5(2) 2_445 3_546 ?
F2 Rb1 O1 152.1(2) 4_355 3_546 ?
F1 Rb1 O2 65.8(2) 4_355 4_355 ?
F1 Rb1 O2 62.8(2) 3_546 4_355 ?
O4 Rb1 O2 122.2(2) . 4_355 ?
F2 Rb1 O2 169.1(2) 2_445 4_355 ?
F2 Rb1 O2 59.4(2) 4_355 4_355 ?
O1 Rb1 O2 125.5(3) 3_546 4_355 ?
F1 Rb1 O2 62.1(2) 4_355 3_545 ?
F1 Rb1 O2 55.0(2) 3_546 3_545 ?
O4 Rb1 O2 85.9(3) . 3_545 ?
F2 Rb1 O2 70.0(2) 2_445 3_545 ?
F2 Rb1 O2 114.6(2) 4_355 3_545 ?
O1 Rb1 O2 92.4(2) 3_546 3_545 ?
O2 Rb1 O2 99.4(2) 4_355 3_545 ?
F1 Rb1 F1 118.1(2) 4_355 4_356 ?
F1 Rb1 F1 78.70(19) 3_546 4_356 ?
O4 Rb1 F1 139.3(2) . 4_356 ?
F2 Rb1 F1 136.11(19) 2_445 4_356 ?
F2 Rb1 F1 85.00(18) 4_355 4_356 ?
O1 Rb1 F1 80.6(2) 3_546 4_356 ?
O2 Rb1 F1 53.3(2) 4_355 4_356 ?
O2 Rb1 F1 133.7(2) 3_545 4_356 ?
F1 Rb1 O1 108.3(2) 4_355 1_556 ?
F1 Rb1 O1 129.2(2) 3_546 1_556 ?
O4 Rb1 O1 87.8(2) . 1_556 ?
F2 Rb1 O1 112.4(2) 2_445 1_556 ?
F2 Rb1 O1 55.7(2) 4_355 1_556 ?
O1 Rb1 O1 97.0(2) 3_546 1_556 ?
O2 Rb1 O1 77.6(2) 4_355 1_556 ?
O2 Rb1 O1 170.1(2) 3_545 1_556 ?
F1 Rb1 O1 51.60(18) 4_356 1_556 ?
F1 Rb1 O3 118.1(2) 4_355 1_556 ?
F1 Rb1 O3 156.9(3) 3_546 1_556 ?
O4 Rb1 O3 61.9(2) . 1_556 ?
F2 Rb1 O3 71.7(2) 2_445 1_556 ?
F2 Rb1 O3 75.9(2) 4_355 1_556 ?
O1 Rb1 O3 79.0(2) 3_546 1_556 ?
O2 Rb1 O3 117.9(3) 4_355 1_556 ?
O2 Rb1 O3 139.5(2) 3_545 1_556 ?
F1 Rb1 O3 84.2(2) 4_356 1_556 ?
O1 Rb1 O3 40.8(2) 1_556 1_556 ?
F1 Rb1 S1 125.65(14) 4_355 1_556 ?
F1 Rb1 S1 137.2(2) 3_546 1_556 ?
O4 Rb1 S1 83.27(19) . 1_556 ?
F2 Rb1 S1 91.58(16) 2_445 1_556 ?
F2 Rb1 S1 74.21(14) 4_355 1_556 ?
O1 Rb1 S1 77.87(18) 3_546 1_556 ?
O2 Rb1 S1 99.0(2) 4_355 1_556 ?
O2 Rb1 S1 161.57(18) 3_545 1_556 ?
F1 Rb1 S1 60.71(13) 4_356 1_556 ?
O1 Rb1 S1 22.92(16) 1_556 1_556 ?
O3 Rb1 S1 23.58(16) 1_556 1_556 ?
O2 S1 O4 113.3(6) . . ?
O2 S1 O1 109.5(6) . . ?
O4 S1 O1 111.8(5) . . ?
O2 S1 O3 111.0(5) . . ?
O4 S1 O3 107.2(6) . . ?
O1 S1 O3 103.6(5) . . ?
O2 S1 Rb1 165.6(4) . 1_554 ?
O4 S1 Rb1 80.6(4) . 1_554 ?
O1 S1 Rb1 59.7(4) . 1_554 ?
O3 S1 Rb1 65.8(3) . 1_554 ?
O2 S1 Rb1 79.2(4) . 3_444 ?
O4 S1 Rb1 161.6(4) . 3_444 ?
O1 S1 Rb1 49.9(3) . 3_444 ?
O3 S1 Rb1 78.8(4) . 3_444 ?
Rb1 S1 Rb1 86.44(7) 1_554 3_444 ?
Sb1 F2 Rb1 123.8(3) . 2_444 ?
Sb1 F2 Rb1 107.3(3) . 4_344 ?
Rb1 F2 Rb1 120.6(2) 2_444 4_344 ?
S1 O4 Rb1 137.8(5) . . ?
Sb1 F1 Rb1 114.3(4) . 4_344 ?
Sb1 F1 Rb1 124.2(3) . 3_444 ?
Rb1 F1 Rb1 102.1(2) 4_344 3_444 ?
Sb1 F1 Rb1 102.7(3) . 4_343 ?
Rb1 F1 Rb1 118.1(2) 4_344 4_343 ?
Rb1 F1 Rb1 95.0(2) 3_444 4_343 ?
S1 O2 Rb1 142.2(6) . 4_344 ?
S1 O2 Rb1 121.7(5) . 3_445 ?
Rb1 O2 Rb1 91.5(2) 4_344 3_445 ?
S1 O1 Sb1 136.6(5) . 4_355 ?
S1 O1 Rb1 108.2(4) . 3_444 ?
Sb1 O1 Rb1 108.1(3) 4_355 3_444 ?
S1 O1 Rb1 97.3(4) . 1_554 ?
Sb1 O1 Rb1 92.3(3) 4_355 1_554 ?
Rb1 O1 Rb1 109.5(3) 3_444 1_554 ?
S1 O3 Sb1 139.6(6) . . ?
S1 O3 Rb1 90.6(4) . 1_554 ?
Sb1 O3 Rb1 127.8(4) . 1_554 ?

_refine_diff_density_max         1.452
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.264

####################################################################### 
# 
# 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_mo_0530_11_0m
_database_code_depnum_ccdc_archive 'CCDC 1900527'
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'F O4 Rb S Sn'
_chemical_formula_weight         319.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_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'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   7.7690(4)
_cell_length_b                   5.0661(2)
_cell_length_c                   13.9422(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.652(2)
_cell_angle_gamma                90
_cell_volume                     547.63(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4964
_cell_measurement_theta_min      5.844
_cell_measurement_theta_max      52.765

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.872
_exptl_crystal_F_000             576
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    13.822
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7529
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.627
_diffrn_reflns_theta_max         26.404
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             1260
_reflns_number_gt                1184
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+4.1873P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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       0.0123(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1260
_refine_ls_number_parameters     96
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_ref         0.0512
_refine_ls_wR_factor_gt          0.0506
_refine_ls_goodness_of_fit_ref   1.228
_refine_ls_restrained_S_all      1.228
_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
Sn1 Sn -0.01314(6) 1.2500 0.72851(3) 0.01072(14) Uani 1 2 d S T P . .
Sn2 Sn 0.47428(6) 0.2500 0.76774(3) 0.01075(14) Uani 1 2 d S T P . .
Rb1 Rb 0.75567(8) -0.2500 0.94922(5) 0.01058(16) Uani 1 2 d S T P . .
Rb2 Rb 0.23180(9) 0.7500 0.54519(5) 0.01631(17) Uani 1 2 d S T P . .
S1 S 0.7160(2) 0.7500 0.65032(12) 0.0094(3) Uani 1 2 d S T P . .
S2 S 0.2714(2) 0.7500 0.86056(11) 0.0088(3) Uani 1 2 d S T P . .
F1 F 0.6990(5) 0.2500 0.8484(3) 0.0144(8) Uani 1 2 d S T P . .
F2 F 0.1006(5) 1.2500 0.6030(3) 0.0231(10) Uani 1 2 d S T P . .
O2 O 0.3831(4) 0.5139(7) 0.8816(2) 0.0125(7) Uani 1 1 d . . . . .
O3 O 0.2114(6) 0.7500 0.7586(3) 0.0166(11) Uani 1 2 d S T P . .
O4 O 0.1327(6) 0.7500 0.9243(4) 0.0162(11) Uani 1 2 d S T P . .
O5 O 0.6060(7) 0.7500 0.5642(4) 0.0261(13) Uani 1 2 d S T P . .
O6 O 0.6296(7) 0.7500 0.7395(4) 0.0261(13) Uani 1 2 d S T P . .
O1 O 0.8747(8) 0.9024(14) 0.6486(5) 0.0162(15) Uani 0.5 1 d . . P . .
O7 O 0.7739(8) 1.0490(14) 0.6489(5) 0.0128(14) Uiso 0.5 1 d . . 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
Sn1 F2 2.009(4) . ?
Sn1 O7 2.185(7) 1_455 ?
Sn1 O7 2.185(7) 4_485 ?
Sn1 O1 2.231(7) 1_455 ?
Sn1 O1 2.231(7) 4_485 ?
Sn1 Rb2 4.0769(8) 3_576 ?
Sn1 Rb2 4.1460(6) . ?
Sn1 Rb2 4.1460(6) 1_565 ?
Sn2 F1 2.016(4) . ?
Sn2 O2 2.225(3) 4_565 ?
Sn2 O2 2.225(3) . ?
Sn2 Rb1 4.1100(6) . ?
Sn2 Rb1 4.1101(6) 1_565 ?
Sn2 Rb2 4.3415(7) 1_545 ?
Sn2 Rb2 4.3415(7) . ?
Rb1 F1 2.916(2) 1_545 ?
Rb1 F1 2.916(2) . ?
Rb1 O4 2.972(5) 1_645 ?
Rb1 O2 2.973(3) 2_647 ?
Rb1 O2 2.973(3) 3_657 ?
Rb1 O6 3.024(5) 1_545 ?
Rb1 O4 3.175(3) 3_667 ?
Rb1 O4 3.175(3) 3_657 ?
Rb1 O2 3.217(3) 1_545 ?
Rb1 O2 3.217(3) 4_565 ?
Rb1 S2 3.6832(13) 3_667 ?
Rb1 S2 3.6832(13) 3_657 ?
Rb2 F2 2.865(2) 1_545 ?
Rb2 F2 2.8655(19) . ?
Rb2 O7 2.889(7) 2_646 ?
Rb2 O7 2.889(7) 3_676 ?
Rb2 O5 2.902(5) . ?
Rb2 O3 2.990(5) . ?
Rb2 F2 3.203(4) 3_576 ?
Rb2 O5 3.252(4) 3_666 ?
Rb2 O5 3.252(4) 3_676 ?
Rb2 O1 3.287(7) 2_646 ?
Rb2 O1 3.287(7) 3_676 ?
Rb2 O1 3.299(7) 4_475 ?
S1 O5 1.429(5) . ?
S1 O6 1.450(5) . ?
S1 O1 1.456(6) 4_575 ?
S1 O1 1.456(7) . ?
S1 O7 1.581(7) 4_575 ?
S1 O7 1.581(7) . ?
S1 Rb2 3.7618(13) 3_666 ?
S1 Rb2 3.7618(13) 3_676 ?
S2 O4 1.440(5) . ?
S2 O3 1.467(5) . ?
S2 O2 1.496(3) . ?
S2 O2 1.496(3) 4_575 ?
S2 Rb1 3.6832(13) 3_667 ?
S2 Rb1 3.6832(13) 3_657 ?
S2 Rb1 3.8847(17) 1_565 ?
F1 Rb1 2.916(2) 1_565 ?
F2 Rb2 2.8655(19) 1_565 ?
F2 Rb2 3.203(4) 3_576 ?
O2 Rb1 2.973(3) 3_657 ?
O2 Rb1 3.217(3) 1_565 ?
O4 Rb1 2.972(5) 1_465 ?
O4 Rb1 3.175(3) 3_667 ?
O4 Rb1 3.175(3) 3_657 ?
O5 Rb2 3.252(4) 3_666 ?
O5 Rb2 3.252(4) 3_676 ?
O6 Rb1 3.024(5) 1_565 ?
O1 O7 1.080(9) . ?
O1 O1 1.544(14) 4_575 ?
O1 Sn1 2.231(7) 1_655 ?
O1 Rb2 3.287(7) 3_676 ?
O1 Rb2 3.299(7) 1_655 ?
O7 Sn1 2.185(7) 1_655 ?
O7 Rb2 2.889(7) 3_676 ?

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
F2 Sn1 O7 85.3(2) . 1_455 ?
F2 Sn1 O7 85.3(2) . 4_485 ?
O7 Sn1 O7 55.6(4) 1_455 4_485 ?
F2 Sn1 O1 75.2(2) . 1_455 ?
O7 Sn1 O1 28.3(2) 1_455 1_455 ?
O7 Sn1 O1 81.7(3) 4_485 1_455 ?
F2 Sn1 O1 75.22(19) . 4_485 ?
O7 Sn1 O1 81.7(3) 1_455 4_485 ?
O7 Sn1 O1 28.3(2) 4_485 4_485 ?
O1 Sn1 O1 104.2(4) 1_455 4_485 ?
F2 Sn1 Rb2 50.60(13) . 3_576 ?
O7 Sn1 Rb2 42.91(17) 1_455 3_576 ?
O7 Sn1 Rb2 42.91(17) 4_485 3_576 ?
O1 Sn1 Rb2 53.59(19) 1_455 3_576 ?
O1 Sn1 Rb2 53.59(19) 4_485 3_576 ?
F2 Sn1 Rb2 38.63(3) . . ?
O7 Sn1 Rb2 76.39(18) 1_455 . ?
O7 Sn1 Rb2 109.52(17) 4_485 . ?
O1 Sn1 Rb2 52.42(17) 1_455 . ?
O1 Sn1 Rb2 110.77(19) 4_485 . ?
Rb2 Sn1 Rb2 66.625(15) 3_576 . ?
F2 Sn1 Rb2 38.63(3) . 1_565 ?
O7 Sn1 Rb2 109.52(17) 1_455 1_565 ?
O7 Sn1 Rb2 76.39(18) 4_485 1_565 ?
O1 Sn1 Rb2 110.77(19) 1_455 1_565 ?
O1 Sn1 Rb2 52.42(17) 4_485 1_565 ?
Rb2 Sn1 Rb2 66.626(15) 3_576 1_565 ?
Rb2 Sn1 Rb2 75.318(14) . 1_565 ?
F1 Sn2 O2 84.59(13) . 4_565 ?
F1 Sn2 O2 84.59(13) . . ?
O2 Sn2 O2 73.86(17) 4_565 . ?
F1 Sn2 Rb1 41.29(4) . . ?
O2 Sn2 Rb1 51.07(8) 4_565 . ?
O2 Sn2 Rb1 96.44(8) . . ?
F1 Sn2 Rb1 41.29(4) . 1_565 ?
O2 Sn2 Rb1 96.44(8) 4_565 1_565 ?
O2 Sn2 Rb1 51.07(9) . 1_565 ?
Rb1 Sn2 Rb1 76.094(13) . 1_565 ?
F1 Sn2 Rb2 136.04(6) . 1_545 ?
O2 Sn2 Rb2 90.91(8) 4_565 1_545 ?
O2 Sn2 Rb2 135.81(9) . 1_545 ?
Rb1 Sn2 Rb2 105.662(8) . 1_545 ?
Rb1 Sn2 Rb2 171.544(17) 1_565 1_545 ?
F1 Sn2 Rb2 136.04(7) . . ?
O2 Sn2 Rb2 135.81(9) 4_565 . ?
O2 Sn2 Rb2 90.91(8) . . ?
Rb1 Sn2 Rb2 171.544(17) . . ?
Rb1 Sn2 Rb2 105.662(8) 1_565 . ?
Rb2 Sn2 Rb2 71.387(13) 1_545 . ?
F1 Rb1 F1 120.58(14) 1_545 . ?
F1 Rb1 O4 93.63(9) 1_545 1_645 ?
F1 Rb1 O4 93.63(9) . 1_645 ?
F1 Rb1 O2 136.19(10) 1_545 2_647 ?
F1 Rb1 O2 86.59(10) . 2_647 ?
O4 Rb1 O2 120.18(10) 1_645 2_647 ?
F1 Rb1 O2 86.59(10) 1_545 3_657 ?
F1 Rb1 O2 136.19(10) . 3_657 ?
O4 Rb1 O2 120.18(10) 1_645 3_657 ?
O2 Rb1 O2 53.44(13) 2_647 3_657 ?
F1 Rb1 O6 60.30(7) 1_545 1_545 ?
F1 Rb1 O6 60.30(7) . 1_545 ?
O4 Rb1 O6 98.51(14) 1_645 1_545 ?
O2 Rb1 O6 130.98(10) 2_647 1_545 ?
O2 Rb1 O6 130.98(11) 3_657 1_545 ?
F1 Rb1 O4 171.08(11) 1_545 3_667 ?
F1 Rb1 O4 66.56(10) . 3_667 ?
O4 Rb1 O4 80.13(10) 1_645 3_667 ?
O2 Rb1 O4 45.62(10) 2_647 3_667 ?
O2 Rb1 O4 91.04(10) 3_657 3_667 ?
O6 Rb1 O4 126.66(7) 1_545 3_667 ?
F1 Rb1 O4 66.56(10) 1_545 3_657 ?
F1 Rb1 O4 171.08(11) . 3_657 ?
O4 Rb1 O4 80.13(10) 1_645 3_657 ?
O2 Rb1 O4 91.04(10) 2_647 3_657 ?
O2 Rb1 O4 45.62(10) 3_657 3_657 ?
O6 Rb1 O4 126.66(7) 1_545 3_657 ?
O4 Rb1 O4 105.83(14) 3_667 3_657 ?
F1 Rb1 O2 55.29(10) 1_545 1_545 ?
F1 Rb1 O2 94.38(9) . 1_545 ?
O4 Rb1 O2 147.24(9) 1_645 1_545 ?
O2 Rb1 O2 91.99(7) 2_647 1_545 ?
O2 Rb1 O2 72.57(10) 3_657 1_545 ?
O6 Rb1 O2 59.11(11) 1_545 1_545 ?
O4 Rb1 O2 131.92(10) 3_667 1_545 ?
O4 Rb1 O2 94.29(10) 3_657 1_545 ?
F1 Rb1 O2 94.38(9) 1_545 4_565 ?
F1 Rb1 O2 55.29(10) . 4_565 ?
O4 Rb1 O2 147.24(9) 1_645 4_565 ?
O2 Rb1 O2 72.57(10) 2_647 4_565 ?
O2 Rb1 O2 91.99(7) 3_657 4_565 ?
O6 Rb1 O2 59.11(11) 1_545 4_565 ?
O4 Rb1 O2 94.29(10) 3_667 4_565 ?
O4 Rb1 O2 131.92(10) 3_657 4_565 ?
O2 Rb1 O2 43.66(12) 1_545 4_565 ?
F1 Rb1 S2 158.51(8) 1_545 3_667 ?
F1 Rb1 S2 74.68(7) . 3_667 ?
O4 Rb1 S2 100.72(7) 1_645 3_667 ?
O2 Rb1 S2 22.95(7) 2_647 3_667 ?
O2 Rb1 S2 72.40(7) 3_657 3_667 ?
O6 Rb1 S2 131.79(5) 1_545 3_667 ?
O4 Rb1 S2 22.72(8) 3_667 3_667 ?
O4 Rb1 S2 100.07(8) 3_657 3_667 ?
O2 Rb1 S2 112.04(6) 1_545 3_667 ?
O2 Rb1 S2 82.17(6) 4_565 3_667 ?
F1 Rb1 S2 74.68(7) 1_545 3_657 ?
F1 Rb1 S2 158.51(8) . 3_657 ?
O4 Rb1 S2 100.72(7) 1_645 3_657 ?
O2 Rb1 S2 72.40(7) 2_647 3_657 ?
O2 Rb1 S2 22.95(6) 3_657 3_657 ?
O6 Rb1 S2 131.79(5) 1_545 3_657 ?
O4 Rb1 S2 100.07(8) 3_667 3_657 ?
O4 Rb1 S2 22.72(8) 3_657 3_657 ?
O2 Rb1 S2 82.17(6) 1_545 3_657 ?
O2 Rb1 S2 112.04(6) 4_565 3_657 ?
S2 Rb1 S2 86.90(4) 3_667 3_657 ?
F2 Rb2 F2 124.25(15) 1_545 . ?
F2 Rb2 O7 88.15(16) 1_545 2_646 ?
F2 Rb2 O7 126.21(16) . 2_646 ?
F2 Rb2 O7 126.21(16) 1_545 3_676 ?
F2 Rb2 O7 88.15(16) . 3_676 ?
O7 Rb2 O7 41.3(3) 2_646 3_676 ?
F2 Rb2 O5 110.28(9) 1_545 . ?
F2 Rb2 O5 110.28(9) . . ?
O7 Rb2 O5 92.35(16) 2_646 . ?
O7 Rb2 O5 92.35(16) 3_676 . ?
F2 Rb2 O3 71.19(9) 1_545 . ?
F2 Rb2 O3 71.19(9) . . ?
O7 Rb2 O3 159.01(14) 2_646 . ?
O7 Rb2 O3 159.01(14) 3_676 . ?
O5 Rb2 O3 91.45(14) . . ?
F2 Rb2 F2 83.97(10) 1_545 3_576 ?
F2 Rb2 F2 83.97(10) . 3_576 ?
O7 Rb2 F2 55.39(15) 2_646 3_576 ?
O7 Rb2 F2 55.39(15) 3_676 3_576 ?
O5 Rb2 F2 145.15(13) . 3_576 ?
O3 Rb2 F2 123.40(13) . 3_576 ?
F2 Rb2 O5 66.35(10) 1_545 3_666 ?
F2 Rb2 O5 167.43(12) . 3_666 ?
O7 Rb2 O5 43.06(16) 2_646 3_666 ?
O7 Rb2 O5 79.54(16) 3_676 3_666 ?
O5 Rb2 O5 68.10(11) . 3_666 ?
O3 Rb2 O5 120.89(9) . 3_666 ?
F2 Rb2 O5 91.03(10) 3_576 3_666 ?
F2 Rb2 O5 167.42(11) 1_545 3_676 ?
F2 Rb2 O5 66.35(11) . 3_676 ?
O7 Rb2 O5 79.54(16) 2_646 3_676 ?
O7 Rb2 O5 43.06(16) 3_676 3_676 ?
O5 Rb2 O5 68.10(11) . 3_676 ?
O3 Rb2 O5 120.89(9) . 3_676 ?
F2 Rb2 O5 91.03(10) 3_576 3_676 ?
O5 Rb2 O5 102.32(16) 3_666 3_676 ?
F2 Rb2 O1 71.48(15) 1_545 2_646 ?
F2 Rb2 O1 129.02(15) . 2_646 ?
O7 Rb2 O1 18.75(17) 2_646 2_646 ?
O7 Rb2 O1 55.30(18) 3_676 2_646 ?
O5 Rb2 O1 105.86(14) . 2_646 ?
O3 Rb2 O1 142.35(13) . 2_646 ?
F2 Rb2 O1 47.09(12) 3_576 2_646 ?
O5 Rb2 O1 44.09(14) 3_666 2_646 ?
O5 Rb2 O1 96.69(15) 3_676 2_646 ?
F2 Rb2 O1 129.02(15) 1_545 3_676 ?
F2 Rb2 O1 71.48(15) . 3_676 ?
O7 Rb2 O1 55.30(18) 2_646 3_676 ?
O7 Rb2 O1 18.75(17) 3_676 3_676 ?
O5 Rb2 O1 105.86(14) . 3_676 ?
O3 Rb2 O1 142.35(13) . 3_676 ?
F2 Rb2 O1 47.09(12) 3_576 3_676 ?
O5 Rb2 O1 96.69(15) 3_666 3_676 ?
O5 Rb2 O1 44.09(14) 3_676 3_676 ?
O1 Rb2 O1 64.8(2) 2_646 3_676 ?
F2 Rb2 O1 49.15(14) 1_545 4_475 ?
F2 Rb2 O1 76.09(14) . 4_475 ?
O7 Rb2 O1 111.34(18) 2_646 4_475 ?
O7 Rb2 O1 121.93(17) 3_676 4_475 ?
O5 Rb2 O1 145.64(15) . 4_475 ?
O3 Rb2 O1 57.70(16) . 4_475 ?
F2 Rb2 O1 67.42(14) 3_576 4_475 ?
O5 Rb2 O1 112.61(15) 3_666 4_475 ?
O5 Rb2 O1 138.51(14) 3_676 4_475 ?
O1 Rb2 O1 93.40(17) 2_646 4_475 ?
O1 Rb2 O1 108.07(14) 3_676 4_475 ?
O5 S1 O6 115.8(3) . . ?
O5 S1 O1 116.6(4) . 4_575 ?
O6 S1 O1 116.9(3) . 4_575 ?
O5 S1 O1 116.6(4) . . ?
O6 S1 O1 116.9(4) . . ?
O1 S1 O1 64.1(6) 4_575 . ?
O5 S1 O7 98.3(3) . 4_575 ?
O6 S1 O7 99.1(3) . 4_575 ?
O1 S1 O7 41.4(4) 4_575 4_575 ?
O1 S1 O7 105.5(4) . 4_575 ?
O5 S1 O7 98.3(2) . . ?
O6 S1 O7 99.1(3) . . ?
O1 S1 O7 105.5(4) 4_575 . ?
O1 S1 O7 41.4(4) . . ?
O7 S1 O7 146.9(5) 4_575 . ?
O5 S1 Rb2 58.50(14) . 3_666 ?
O6 S1 Rb2 134.30(9) . 3_666 ?
O1 S1 Rb2 60.0(3) 4_575 3_666 ?
O1 S1 Rb2 102.4(3) . 3_666 ?
O7 S1 Rb2 45.7(2) 4_575 3_666 ?
O7 S1 Rb2 126.3(2) . 3_666 ?
O5 S1 Rb2 58.50(14) . 3_676 ?
O6 S1 Rb2 134.30(9) . 3_676 ?
O1 S1 Rb2 102.4(3) 4_575 3_676 ?
O1 S1 Rb2 60.0(3) . 3_676 ?
O7 S1 Rb2 126.3(2) 4_575 3_676 ?
O7 S1 Rb2 45.7(2) . 3_676 ?
Rb2 S1 Rb2 84.65(4) 3_666 3_676 ?
O5 S1 Rb2 35.2(2) . . ?
O6 S1 Rb2 80.6(2) . . ?
O1 S1 Rb2 141.4(3) 4_575 . ?
O1 S1 Rb2 141.4(3) . . ?
O7 S1 Rb2 105.1(2) 4_575 . ?
O7 S1 Rb2 105.1(2) . . ?
Rb2 S1 Rb2 82.82(3) 3_666 . ?
Rb2 S1 Rb2 82.82(3) 3_676 . ?
O4 S2 O3 113.2(3) . . ?
O4 S2 O2 109.06(18) . . ?
O3 S2 O2 109.53(18) . . ?
O4 S2 O2 109.07(18) . 4_575 ?
O3 S2 O2 109.53(18) . 4_575 ?
O2 S2 O2 106.2(3) . 4_575 ?
O4 S2 Rb1 58.40(13) . 3_667 ?
O3 S2 Rb1 131.94(9) . 3_667 ?
O2 S2 Rb1 117.90(15) . 3_667 ?
O2 S2 Rb1 50.80(13) 4_575 3_667 ?
O4 S2 Rb1 58.40(12) . 3_657 ?
O3 S2 Rb1 131.94(9) . 3_657 ?
O2 S2 Rb1 50.80(13) . 3_657 ?
O2 S2 Rb1 117.90(15) 4_575 3_657 ?
Rb1 S2 Rb1 86.90(4) 3_667 3_657 ?
O4 S2 Rb1 123.4(2) . 1_565 ?
O3 S2 Rb1 123.3(2) . 1_565 ?
O2 S2 Rb1 53.10(14) . 1_565 ?
O2 S2 Rb1 53.10(14) 4_575 1_565 ?
Rb1 S2 Rb1 82.50(3) 3_667 1_565 ?
Rb1 S2 Rb1 82.50(3) 3_657 1_565 ?
Sn2 F1 Rb1 111.57(9) . . ?
Sn2 F1 Rb1 111.57(9) . 1_565 ?
Rb1 F1 Rb1 120.58(13) . 1_565 ?
Sn1 F2 Rb2 115.41(9) . . ?
Sn1 F2 Rb2 115.41(9) . 1_565 ?
Rb2 F2 Rb2 124.25(15) . 1_565 ?
Sn1 F2 Rb2 100.41(15) . 3_576 ?
Rb2 F2 Rb2 96.03(10) . 3_576 ?
Rb2 F2 Rb2 96.03(10) 1_565 3_576 ?
S2 O2 Sn2 123.21(19) . . ?
S2 O2 Rb1 106.25(16) . 3_657 ?
Sn2 O2 Rb1 116.35(13) . 3_657 ?
S2 O2 Rb1 105.07(16) . 1_565 ?
Sn2 O2 Rb1 96.38(11) . 1_565 ?
Rb1 O2 Rb1 107.43(10) 3_657 1_565 ?
S2 O3 Rb2 158.5(3) . . ?
S2 O4 Rb1 148.7(3) . 1_465 ?
S2 O4 Rb1 98.88(15) . 3_667 ?
Rb1 O4 Rb1 99.87(10) 1_465 3_667 ?
S2 O4 Rb1 98.88(15) . 3_657 ?
Rb1 O4 Rb1 99.87(10) 1_465 3_657 ?
Rb1 O4 Rb1 105.83(14) 3_667 3_657 ?
S1 O5 Rb2 128.2(3) . . ?
S1 O5 Rb2 99.50(17) . 3_666 ?
Rb2 O5 Rb2 111.90(11) . 3_666 ?
S1 O5 Rb2 99.50(17) . 3_676 ?
Rb2 O5 Rb2 111.90(11) . 3_676 ?
Rb2 O5 Rb2 102.32(15) 3_666 3_676 ?
S1 O6 Rb1 133.6(3) . 1_565 ?
O7 O1 S1 75.5(5) . . ?
O7 O1 O1 133.5(5) . 4_575 ?
S1 O1 O1 58.0(3) . 4_575 ?
O7 O1 Sn1 73.5(5) . 1_655 ?
S1 O1 Sn1 135.6(4) . 1_655 ?
O1 O1 Sn1 142.12(18) 4_575 1_655 ?
O7 O1 Rb2 59.3(5) . 3_676 ?
S1 O1 Rb2 97.4(3) . 3_676 ?
O1 O1 Rb2 122.40(12) 4_575 3_676 ?
Sn1 O1 Rb2 93.3(2) 1_655 3_676 ?
O7 O1 Rb2 142.5(6) . 1_655 ?
S1 O1 Rb2 128.3(4) . 1_655 ?
O1 O1 Rb2 76.47(12) 4_575 1_655 ?
Sn1 O1 Rb2 95.2(2) 1_655 1_655 ?
Rb2 O1 Rb2 86.60(17) 3_676 1_655 ?
O1 O7 S1 63.1(5) . . ?
O1 O7 Sn1 78.3(5) . 1_655 ?
S1 O7 Sn1 130.3(4) . 1_655 ?
O1 O7 Rb2 101.9(6) . 3_676 ?
S1 O7 Rb2 111.2(3) . 3_676 ?
Sn1 O7 Rb2 106.1(2) 1_655 3_676 ?

_refine_diff_density_max         1.250
_refine_diff_density_min         -1.257
_refine_diff_density_rms         0.168

