# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1433406'
_audit_update_record             
;
2016-06-12 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'H2 Cl4 O2 Rb2 Se'
_chemical_formula_weight         425.72

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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Cmc2(1)

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

_cell_length_a                   10.342(3)
_cell_length_b                   10.124(3)
_cell_length_c                   9.158(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     958.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1033
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      28.08

_exptl_crystal_description       needle-like
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             776
_exptl_absorpt_coefficient_mu    15.055
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.3144
_exptl_absorpt_correction_T_max  0.3144
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            2391
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0573
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.82
_diffrn_reflns_theta_max         26.00
_reflns_number_total             931
_reflns_number_gt                817
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0282P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.009(19)
_refine_ls_number_reflns         931
_refine_ls_number_parameters     49
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0781
_refine_ls_wR_factor_gt          0.0754
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 1.0000 0.7662(2) 0.7504(4) 0.0321(6) Uani 1 2 d S . .
Cl2 Cl 1.0000 0.7517(2) 0.3331(4) 0.0329(6) Uani 1 2 d S . .
Cl3 Cl 0.76132(18) 0.99670(18) 0.2893(2) 0.0341(5) Uani 1 1 d . . .
O1 O 0.5000 0.9615(7) 0.5396(12) 0.055(2) Uani 1 2 d S . .
H1A H 0.5000 1.0100 0.4639 0.083 Uiso 1 2 d SR . .
H1B H 0.5000 1.0090 0.6162 0.083 Uiso 1 2 d SR . .
O2 O 0.5000 0.5387(7) 0.5861(7) 0.0318(18) Uani 1 2 d S . .
Rb1 Rb 0.71804(8) 0.75825(6) 0.53825(6) 0.0358(2) Uani 1 1 d . . .
Se1 Se 0.5000 0.50999(10) 0.76061(15) 0.0212(2) Uani 1 2 d S . .


_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
Cl1 Se1 2.470(2) 5 ?
Cl1 Rb1 3.478(3) 7_565 ?
Cl1 Rb1 3.478(3) 6_665 ?
Cl1 Rb1 3.505(2) . ?
Cl1 Rb1 3.505(2) 4_755 ?
Cl2 Se1 2.502(3) 6_664 ?
Cl2 Rb1 3.470(2) 4_755 ?
Cl2 Rb1 3.470(2) . ?
Cl2 Rb1 3.519(3) 6_664 ?
Cl2 Rb1 3.519(3) 7_564 ?
Cl3 Se1 2.483(2) 6_664 ?
Cl3 Rb1 3.350(2) . ?
Cl3 Rb1 3.412(2) 3_574 ?
Cl3 Rb1 3.463(2) 6_664 ?
Cl3 Rb1 3.501(2) 8_655 ?
O1 Rb1 3.053(5) . ?
O1 Rb1 3.053(5) 4_655 ?
O1 H1A 0.8500 . ?
O1 H1B 0.8500 . ?
O2 Se1 1.624(7) . ?
O2 Rb1 3.196(5) . ?
O2 Rb1 3.196(5) 4_655 ?
Rb1 Cl3 3.412(2) 3_575 ?
Rb1 Cl3 3.463(2) 6_665 ?
Rb1 Cl1 3.478(3) 6_664 ?
Rb1 Cl3 3.501(2) 8_645 ?
Rb1 Cl2 3.519(3) 6_665 ?
Rb1 Se1 3.9433(14) . ?
Rb1 Rb1 4.510(2) 4_655 ?
Se1 Cl1 2.470(2) 5_445 ?
Se1 Cl3 2.483(2) 6_665 ?
Se1 Cl3 2.483(2) 7_465 ?
Se1 Cl2 2.502(3) 6_665 ?
Se1 Rb1 3.9433(14) 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
Se1 Cl1 Rb1 92.43(8) 5 7_565 ?
Se1 Cl1 Rb1 92.43(8) 5 6_665 ?
Rb1 Cl1 Rb1 80.84(9) 7_565 6_665 ?
Se1 Cl1 Rb1 92.52(6) 5 . ?
Rb1 Cl1 Rb1 163.33(9) 7_565 . ?
Rb1 Cl1 Rb1 83.05(3) 6_665 . ?
Se1 Cl1 Rb1 92.52(6) 5 4_755 ?
Rb1 Cl1 Rb1 83.05(3) 7_565 4_755 ?
Rb1 Cl1 Rb1 163.33(9) 6_665 4_755 ?
Rb1 Cl1 Rb1 112.61(11) . 4_755 ?
Se1 Cl2 Rb1 97.20(6) 6_664 4_755 ?
Se1 Cl2 Rb1 97.20(6) 6_664 . ?
Rb1 Cl2 Rb1 114.38(10) 4_755 . ?
Se1 Cl2 Rb1 79.87(8) 6_664 6_664 ?
Rb1 Cl2 Rb1 162.65(9) 4_755 6_664 ?
Rb1 Cl2 Rb1 82.96(3) . 6_664 ?
Se1 Cl2 Rb1 79.87(8) 6_664 7_564 ?
Rb1 Cl2 Rb1 82.96(3) 4_755 7_564 ?
Rb1 Cl2 Rb1 162.65(9) . 7_564 ?
Rb1 Cl2 Rb1 79.69(8) 6_664 7_564 ?
Se1 Cl3 Rb1 100.67(7) 6_664 . ?
Se1 Cl3 Rb1 94.53(7) 6_664 3_574 ?
Rb1 Cl3 Rb1 164.77(7) . 3_574 ?
Se1 Cl3 Rb1 81.27(6) 6_664 6_664 ?
Rb1 Cl3 Rb1 85.58(5) . 6_664 ?
Rb1 Cl3 Rb1 95.89(6) 3_574 6_664 ?
Se1 Cl3 Rb1 91.65(7) 6_664 8_655 ?
Rb1 Cl3 Rb1 96.31(6) . 8_655 ?
Rb1 Cl3 Rb1 84.08(5) 3_574 8_655 ?
Rb1 Cl3 Rb1 172.90(7) 6_664 8_655 ?
Rb1 O1 Rb1 95.2(2) . 4_655 ?
Rb1 O1 H1A 112.7 . . ?
Rb1 O1 H1A 112.7 4_655 . ?
Rb1 O1 H1B 112.6 . . ?
Rb1 O1 H1B 112.6 4_655 . ?
H1A O1 H1B 110.2 . . ?
Se1 O2 Rb1 105.0(2) . . ?
Se1 O2 Rb1 105.0(2) . 4_655 ?
Rb1 O2 Rb1 89.75(17) . 4_655 ?
O1 Rb1 O2 86.95(14) . . ?
O1 Rb1 Cl3 67.42(16) . . ?
O2 Rb1 Cl3 133.52(11) . . ?
O1 Rb1 Cl3 66.67(18) . 3_575 ?
O2 Rb1 Cl3 120.37(13) . 3_575 ?
Cl3 Rb1 Cl3 85.25(3) . 3_575 ?
O1 Rb1 Cl3 123.03(17) . 6_665 ?
O2 Rb1 Cl3 55.54(10) . 6_665 ?
Cl3 Rb1 Cl3 168.67(3) . 6_665 ?
Cl3 Rb1 Cl3 94.96(6) 3_575 6_665 ?
O1 Rb1 Cl2 129.49(17) . . ?
O2 Rb1 Cl2 130.85(12) . . ?
Cl3 Rb1 Cl2 62.16(5) . . ?
Cl3 Rb1 Cl2 105.57(6) 3_575 . ?
Cl3 Rb1 Cl2 107.07(6) 6_665 . ?
O1 Rb1 Cl1 64.7(2) . 6_664 ?
O2 Rb1 Cl1 66.23(11) . 6_664 ?
Cl3 Rb1 Cl1 67.80(5) . 6_664 ?
Cl3 Rb1 Cl1 130.36(5) 3_575 6_664 ?
Cl3 Rb1 Cl1 119.34(5) 6_665 6_664 ?
Cl2 Rb1 Cl1 97.65(8) . 6_664 ?
O1 Rb1 Cl3 123.89(19) . 8_645 ?
O2 Rb1 Cl3 66.83(12) . 8_645 ?
Cl3 Rb1 Cl3 95.37(6) . 8_645 ?
Cl3 Rb1 Cl3 168.77(3) 3_575 8_645 ?
Cl3 Rb1 Cl3 82.23(3) 6_665 8_645 ?
Cl2 Rb1 Cl3 65.27(5) . 8_645 ?
Cl1 Rb1 Cl3 59.47(5) 6_664 8_645 ?
O1 Rb1 Cl1 126.64(18) . . ?
O2 Rb1 Cl1 121.80(12) . . ?
Cl3 Rb1 Cl1 104.45(6) . . ?
Cl3 Rb1 Cl1 60.04(5) 3_575 . ?
Cl3 Rb1 Cl1 66.29(5) 6_665 . ?
Cl2 Rb1 Cl1 66.50(6) . . ?
Cl1 Rb1 Cl1 164.00(10) 6_664 . ?
Cl3 Rb1 Cl1 109.13(5) 8_645 . ?
O1 Rb1 Cl2 62.79(19) . 6_665 ?
O2 Rb1 Cl2 54.74(13) . 6_665 ?
Cl3 Rb1 Cl2 128.93(5) . 6_665 ?
Cl3 Rb1 Cl2 65.67(5) 3_575 6_665 ?
Cl3 Rb1 Cl2 60.58(5) 6_665 6_665 ?
Cl2 Rb1 Cl2 162.45(9) . 6_665 ?
Cl1 Rb1 Cl2 99.44(5) 6_664 6_665 ?
Cl3 Rb1 Cl2 121.13(5) 8_645 6_665 ?
Cl1 Rb1 Cl2 96.23(8) . 6_665 ?
O1 Rb1 Se1 90.28(13) . . ?
O2 Rb1 Se1 23.44(12) . . ?
Cl3 Rb1 Se1 152.50(4) . . ?
Cl3 Rb1 Se1 100.98(5) 3_575 . ?
Cl3 Rb1 Se1 38.50(3) 6_665 . ?
Cl2 Rb1 Se1 138.43(5) . . ?
Cl1 Rb1 Se1 88.58(5) 6_664 . ?
Cl3 Rb1 Se1 83.63(5) 8_645 . ?
Cl1 Rb1 Se1 101.78(5) . . ?
Cl2 Rb1 Se1 38.65(5) 6_665 . ?
O1 Rb1 Rb1 42.38(10) . 4_655 ?
O2 Rb1 Rb1 45.13(9) . 4_655 ?
Cl3 Rb1 Rb1 97.68(3) . 4_655 ?
Cl3 Rb1 Rb1 97.54(3) 3_575 4_655 ?
Cl3 Rb1 Rb1 93.53(3) 6_665 4_655 ?
Cl2 Rb1 Rb1 147.19(5) . 4_655 ?
Cl1 Rb1 Rb1 49.58(5) 6_664 4_655 ?
Cl3 Rb1 Rb1 93.50(3) 8_645 4_655 ?
Cl1 Rb1 Rb1 146.30(6) . 4_655 ?
Cl2 Rb1 Rb1 50.15(4) 6_665 4_655 ?
Se1 Rb1 Rb1 55.119(17) . 4_655 ?
O2 Se1 Cl1 98.2(3) . 5_445 ?
O2 Se1 Cl3 96.25(6) . 6_665 ?
Cl1 Se1 Cl3 88.67(5) 5_445 6_665 ?
O2 Se1 Cl3 96.25(6) . 7_465 ?
Cl1 Se1 Cl3 88.67(5) 5_445 7_465 ?
Cl3 Se1 Cl3 167.46(12) 6_665 7_465 ?
O2 Se1 Cl2 95.1(3) . 6_665 ?
Cl1 Se1 Cl2 166.79(16) 5_445 6_665 ?
Cl3 Se1 Cl2 89.90(5) 6_665 6_665 ?
Cl3 Se1 Cl2 89.90(5) 7_465 6_665 ?
O2 Se1 Rb1 51.51(17) . . ?
Cl1 Se1 Rb1 128.12(7) 5_445 . ?
Cl3 Se1 Rb1 60.23(6) 6_665 . ?
Cl3 Se1 Rb1 129.82(6) 7_465 . ?
Cl2 Se1 Rb1 61.48(7) 6_665 . ?
O2 Se1 Rb1 51.51(17) . 4_655 ?
Cl1 Se1 Rb1 128.12(7) 5_445 4_655 ?
Cl3 Se1 Rb1 129.82(6) 6_665 4_655 ?
Cl3 Se1 Rb1 60.23(6) 7_465 4_655 ?
Cl2 Se1 Rb1 61.48(7) 6_665 4_655 ?
Rb1 Se1 Rb1 69.76(3) . 4_655 ?

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 O1 Rb1 O2 -8.1(3) 4_655 . . . ?
Rb1 O1 Rb1 Cl3 132.1(3) 4_655 . . . ?
Rb1 O1 Rb1 Cl3 -133.2(3) 4_655 . . 3_575 ?
Rb1 O1 Rb1 Cl3 -52.9(3) 4_655 . . 6_665 ?
Rb1 O1 Rb1 Cl2 135.45(13) 4_655 . . . ?
Rb1 O1 Rb1 Cl1 56.9(2) 4_655 . . 6_664 ?
Rb1 O1 Rb1 Cl3 51.2(3) 4_655 . . 8_645 ?
Rb1 O1 Rb1 Cl1 -136.32(14) 4_655 . . . ?
Rb1 O1 Rb1 Cl2 -59.64(18) 4_655 . . 6_665 ?
Rb1 O1 Rb1 Se1 -31.4(2) 4_655 . . . ?
Se1 O2 Rb1 O1 -97.8(3) . . . . ?
Rb1 O2 Rb1 O1 7.7(2) 4_655 . . . ?
Se1 O2 Rb1 Cl3 -152.26(14) . . . . ?
Rb1 O2 Rb1 Cl3 -46.7(2) 4_655 . . . ?
Se1 O2 Rb1 Cl3 -37.2(2) . . . 3_575 ?
Rb1 O2 Rb1 Cl3 68.35(16) 4_655 . . 3_575 ?
Se1 O2 Rb1 Cl3 36.53(16) . . . 6_665 ?
Rb1 O2 Rb1 Cl3 142.1(2) 4_655 . . 6_665 ?
Se1 O2 Rb1 Cl2 119.5(2) . . . . ?
Rb1 O2 Rb1 Cl2 -134.99(10) 4_655 . . . ?
Se1 O2 Rb1 Cl1 -161.4(3) . . . 6_664 ?
Rb1 O2 Rb1 Cl1 -55.85(11) 4_655 . . 6_664 ?
Se1 O2 Rb1 Cl3 133.2(2) . . . 8_645 ?
Rb1 O2 Rb1 Cl3 -121.31(16) 4_655 . . 8_645 ?
Se1 O2 Rb1 Cl1 34.3(3) . . . . ?
Rb1 O2 Rb1 Cl1 139.83(8) 4_655 . . . ?
Se1 O2 Rb1 Cl2 -39.31(18) . . . 6_665 ?
Rb1 O2 Rb1 Cl2 66.21(12) 4_655 . . 6_665 ?
Rb1 O2 Rb1 Se1 105.5(3) 4_655 . . . ?
Se1 O2 Rb1 Rb1 -105.5(3) . . . 4_655 ?
Se1 Cl3 Rb1 O1 155.3(2) 6_664 . . . ?
Rb1 Cl3 Rb1 O1 -28.3(3) 3_574 . . . ?
Rb1 Cl3 Rb1 O1 -124.47(19) 6_664 . . . ?
Rb1 Cl3 Rb1 O1 62.39(18) 8_655 . . . ?
Se1 Cl3 Rb1 O2 -143.04(16) 6_664 . . . ?
Rb1 Cl3 Rb1 O2 33.4(3) 3_574 . . . ?
Rb1 Cl3 Rb1 O2 -62.79(16) 6_664 . . . ?
Rb1 Cl3 Rb1 O2 124.08(16) 8_655 . . . ?
Se1 Cl3 Rb1 Cl3 88.60(6) 6_664 . . 3_575 ?
Rb1 Cl3 Rb1 Cl3 -94.9(3) 3_574 . . 3_575 ?
Rb1 Cl3 Rb1 Cl3 168.84(3) 6_664 . . 3_575 ?
Rb1 Cl3 Rb1 Cl3 -4.29(6) 8_655 . . 3_575 ?
Se1 Cl3 Rb1 Cl3 -2.9(3) 6_664 . . 6_665 ?
Rb1 Cl3 Rb1 Cl3 173.53(19) 3_574 . . 6_665 ?
Rb1 Cl3 Rb1 Cl3 77.3(3) 6_664 . . 6_665 ?
Rb1 Cl3 Rb1 Cl3 -95.8(3) 8_655 . . 6_665 ?
Se1 Cl3 Rb1 Cl2 -21.80(8) 6_664 . . . ?
Rb1 Cl3 Rb1 Cl2 154.7(3) 3_574 . . . ?
Rb1 Cl3 Rb1 Cl2 58.44(6) 6_664 . . . ?
Rb1 Cl3 Rb1 Cl2 -114.69(7) 8_655 . . . ?
Se1 Cl3 Rb1 Cl1 -134.03(9) 6_664 . . 6_664 ?
Rb1 Cl3 Rb1 Cl1 42.4(3) 3_574 . . 6_664 ?
Rb1 Cl3 Rb1 Cl1 -53.78(5) 6_664 . . 6_664 ?
Rb1 Cl3 Rb1 Cl1 133.08(6) 8_655 . . 6_664 ?
Se1 Cl3 Rb1 Cl3 -80.15(7) 6_664 . . 8_645 ?
Rb1 Cl3 Rb1 Cl3 96.3(3) 3_574 . . 8_645 ?
Rb1 Cl3 Rb1 Cl3 0.097(12) 6_664 . . 8_645 ?
Rb1 Cl3 Rb1 Cl3 -173.04(7) 8_655 . . 8_645 ?
Se1 Cl3 Rb1 Cl1 31.21(8) 6_664 . . . ?
Rb1 Cl3 Rb1 Cl1 -152.3(3) 3_574 . . . ?
Rb1 Cl3 Rb1 Cl1 111.45(6) 6_664 . . . ?
Rb1 Cl3 Rb1 Cl1 -61.68(6) 8_655 . . . ?
Se1 Cl3 Rb1 Cl2 141.82(7) 6_664 . . 6_665 ?
Rb1 Cl3 Rb1 Cl2 -41.7(3) 3_574 . . 6_665 ?
Rb1 Cl3 Rb1 Cl2 -137.94(6) 6_664 . . 6_665 ?
Rb1 Cl3 Rb1 Cl2 48.93(8) 8_655 . . 6_665 ?
Se1 Cl3 Rb1 Se1 -166.67(7) 6_664 . . . ?
Rb1 Cl3 Rb1 Se1 9.8(3) 3_574 . . . ?
Rb1 Cl3 Rb1 Se1 -86.43(10) 6_664 . . . ?
Rb1 Cl3 Rb1 Se1 100.44(10) 8_655 . . . ?
Se1 Cl3 Rb1 Rb1 -174.42(6) 6_664 . . 4_655 ?
Rb1 Cl3 Rb1 Rb1 2.0(3) 3_574 . . 4_655 ?
Rb1 Cl3 Rb1 Rb1 -94.17(3) 6_664 . . 4_655 ?
Rb1 Cl3 Rb1 Rb1 92.69(4) 8_655 . . 4_655 ?
Se1 Cl2 Rb1 O1 17.9(3) 6_664 . . . ?
Rb1 Cl2 Rb1 O1 119.2(2) 4_755 . . . ?
Rb1 Cl2 Rb1 O1 -60.9(2) 6_664 . . . ?
Rb1 Cl2 Rb1 O1 -61.1(4) 7_564 . . . ?
Se1 Cl2 Rb1 O2 146.36(15) 6_664 . . . ?
Rb1 Cl2 Rb1 O2 -112.34(16) 4_755 . . . ?
Rb1 Cl2 Rb1 O2 67.55(16) 6_664 . . . ?
Rb1 Cl2 Rb1 O2 67.3(3) 7_564 . . . ?
Se1 Cl2 Rb1 Cl3 21.42(7) 6_664 . . . ?
Rb1 Cl2 Rb1 Cl3 122.72(9) 4_755 . . . ?
Rb1 Cl2 Rb1 Cl3 -57.38(6) 6_664 . . . ?
Rb1 Cl2 Rb1 Cl3 -57.6(3) 7_564 . . . ?
Se1 Cl2 Rb1 Cl3 -54.43(10) 6_664 . . 3_575 ?
Rb1 Cl2 Rb1 Cl3 46.87(8) 4_755 . . 3_575 ?
Rb1 Cl2 Rb1 Cl3 -133.23(6) 6_664 . . 3_575 ?
Rb1 Cl2 Rb1 Cl3 -133.5(3) 7_564 . . 3_575 ?
Se1 Cl2 Rb1 Cl3 -154.77(8) 6_664 . . 6_665 ?
Rb1 Cl2 Rb1 Cl3 -53.47(8) 4_755 . . 6_665 ?
Rb1 Cl2 Rb1 Cl3 126.43(5) 6_664 . . 6_665 ?
Rb1 Cl2 Rb1 Cl3 126.2(3) 7_564 . . 6_665 ?
Se1 Cl2 Rb1 Cl1 81.28(9) 6_664 . . 6_664 ?
Rb1 Cl2 Rb1 Cl1 -177.42(6) 4_755 . . 6_664 ?
Rb1 Cl2 Rb1 Cl1 2.47(6) 6_664 . . 6_664 ?
Rb1 Cl2 Rb1 Cl1 2.2(3) 7_564 . . 6_664 ?
Se1 Cl2 Rb1 Cl3 132.51(11) 6_664 . . 8_645 ?
Rb1 Cl2 Rb1 Cl3 -126.19(8) 4_755 . . 8_645 ?
Rb1 Cl2 Rb1 Cl3 53.71(5) 6_664 . . 8_645 ?
Rb1 Cl2 Rb1 Cl3 53.5(3) 7_564 . . 8_645 ?
Se1 Cl2 Rb1 Cl1 -101.08(10) 6_664 . . . ?
Rb1 Cl2 Rb1 Cl1 0.22(6) 4_755 . . . ?
Rb1 Cl2 Rb1 Cl1 -179.88(7) 6_664 . . . ?
Rb1 Cl2 Rb1 Cl1 179.9(3) 7_564 . . . ?
Se1 Cl2 Rb1 Cl2 -111.93(8) 6_664 . . 6_665 ?
Rb1 Cl2 Rb1 Cl2 -10.63(11) 4_755 . . 6_665 ?
Rb1 Cl2 Rb1 Cl2 169.26(9) 6_664 . . 6_665 ?
Rb1 Cl2 Rb1 Cl2 169.0(3) 7_564 . . 6_665 ?
Se1 Cl2 Rb1 Se1 177.82(6) 6_664 . . . ?
Rb1 Cl2 Rb1 Se1 -80.88(10) 4_755 . . . ?
Rb1 Cl2 Rb1 Se1 99.01(7) 6_664 . . . ?
Rb1 Cl2 Rb1 Se1 98.8(3) 7_564 . . . ?
Se1 Cl2 Rb1 Rb1 78.70(11) 6_664 . . 4_655 ?
Rb1 Cl2 Rb1 Rb1 180.0 4_755 . . 4_655 ?
Rb1 Cl2 Rb1 Rb1 -0.11(10) 6_664 . . 4_655 ?
Rb1 Cl2 Rb1 Rb1 -0.4(3) 7_564 . . 4_655 ?
Se1 Cl1 Rb1 O1 -29.2(2) 5 . . . ?
Rb1 Cl1 Rb1 O1 78.0(3) 7_565 . . . ?
Rb1 Cl1 Rb1 O1 63.0(2) 6_665 . . . ?
Rb1 Cl1 Rb1 O1 -123.0(2) 4_755 . . . ?
Se1 Cl1 Rb1 O2 -141.71(15) 5 . . . ?
Rb1 Cl1 Rb1 O2 -34.5(3) 7_565 . . . ?
Rb1 Cl1 Rb1 O2 -49.56(14) 6_665 . . . ?
Rb1 Cl1 Rb1 O2 124.51(14) 4_755 . . . ?
Se1 Cl1 Rb1 Cl3 43.21(10) 5 . . . ?
Rb1 Cl1 Rb1 Cl3 150.4(2) 7_565 . . . ?
Rb1 Cl1 Rb1 Cl3 135.35(5) 6_665 . . . ?
Rb1 Cl1 Rb1 Cl3 -50.58(7) 4_755 . . . ?
Se1 Cl1 Rb1 Cl3 -32.48(7) 5 . . 3_575 ?
Rb1 Cl1 Rb1 Cl3 74.7(2) 7_565 . . 3_575 ?
Rb1 Cl1 Rb1 Cl3 59.67(5) 6_665 . . 3_575 ?
Rb1 Cl1 Rb1 Cl3 -126.26(8) 4_755 . . 3_575 ?
Se1 Cl1 Rb1 Cl3 -143.71(11) 5 . . 6_665 ?
Rb1 Cl1 Rb1 Cl3 -36.5(2) 7_565 . . 6_665 ?
Rb1 Cl1 Rb1 Cl3 -51.57(5) 6_665 . . 6_665 ?
Rb1 Cl1 Rb1 Cl3 122.50(7) 4_755 . . 6_665 ?
Se1 Cl1 Rb1 Cl2 93.57(10) 5 . . . ?
Rb1 Cl1 Rb1 Cl2 -159.3(3) 7_565 . . . ?
Rb1 Cl1 Rb1 Cl2 -174.28(7) 6_665 . . . ?
Rb1 Cl1 Rb1 Cl2 -0.22(6) 4_755 . . . ?
Se1 Cl1 Rb1 Cl1 102.08(7) 5 . . 6_664 ?
Rb1 Cl1 Rb1 Cl1 -150.8(3) 7_565 . . 6_664 ?
Rb1 Cl1 Rb1 Cl1 -165.78(12) 6_665 . . 6_664 ?
Rb1 Cl1 Rb1 Cl1 8.29(13) 4_755 . . 6_664 ?
Se1 Cl1 Rb1 Cl3 144.26(8) 5 . . 8_645 ?
Rb1 Cl1 Rb1 Cl3 -108.6(2) 7_565 . . 8_645 ?
Rb1 Cl1 Rb1 Cl3 -123.59(5) 6_665 . . 8_645 ?
Rb1 Cl1 Rb1 Cl3 50.47(7) 4_755 . . 8_645 ?
Se1 Cl1 Rb1 Cl2 -89.71(10) 5 . . 6_665 ?
Rb1 Cl1 Rb1 Cl2 17.5(2) 7_565 . . 6_665 ?
Rb1 Cl1 Rb1 Cl2 2.44(6) 6_665 . . 6_665 ?
Rb1 Cl1 Rb1 Cl2 176.51(6) 4_755 . . 6_665 ?
Se1 Cl1 Rb1 Se1 -128.47(8) 5 . . . ?
Rb1 Cl1 Rb1 Se1 -21.3(2) 7_565 . . . ?
Rb1 Cl1 Rb1 Se1 -36.32(4) 6_665 . . . ?
Rb1 Cl1 Rb1 Se1 137.75(5) 4_755 . . . ?
Se1 Cl1 Rb1 Rb1 -86.21(10) 5 . . 4_655 ?
Rb1 Cl1 Rb1 Rb1 21.0(3) 7_565 . . 4_655 ?
Rb1 Cl1 Rb1 Rb1 5.93(8) 6_665 . . 4_655 ?
Rb1 Cl1 Rb1 Rb1 180.0 4_755 . . 4_655 ?
Rb1 O2 Se1 Cl1 -133.06(14) . . . 5_445 ?
Rb1 O2 Se1 Cl1 133.06(14) 4_655 . . 5_445 ?
Rb1 O2 Se1 Cl3 -43.52(18) . . . 6_665 ?
Rb1 O2 Se1 Cl3 -137.39(12) 4_655 . . 6_665 ?
Rb1 O2 Se1 Cl3 137.39(12) . . . 7_465 ?
Rb1 O2 Se1 Cl3 43.52(18) 4_655 . . 7_465 ?
Rb1 O2 Se1 Cl2 46.94(14) . . . 6_665 ?
Rb1 O2 Se1 Cl2 -46.94(14) 4_655 . . 6_665 ?
Rb1 O2 Se1 Rb1 -93.9(3) 4_655 . . . ?
Rb1 O2 Se1 Rb1 93.9(3) . . . 4_655 ?
O1 Rb1 Se1 O2 81.7(3) . . . . ?
Cl3 Rb1 Se1 O2 47.0(2) . . . . ?
Cl3 Rb1 Se1 O2 147.9(2) 3_575 . . . ?
Cl3 Rb1 Se1 O2 -128.0(2) 6_665 . . . ?
Cl2 Rb1 Se1 O2 -83.0(2) . . . . ?
Cl1 Rb1 Se1 O2 17.0(2) 6_664 . . . ?
Cl3 Rb1 Se1 O2 -42.4(2) 8_645 . . . ?
Cl1 Rb1 Se1 O2 -150.7(2) . . . . ?
Cl2 Rb1 Se1 O2 124.1(2) 6_665 . . . ?
Rb1 Rb1 Se1 O2 56.3(2) 4_655 . . . ?
O1 Rb1 Se1 Cl1 148.5(2) . . . 5_445 ?
O2 Rb1 Se1 Cl1 66.8(2) . . . 5_445 ?
Cl3 Rb1 Se1 Cl1 113.80(12) . . . 5_445 ?
Cl3 Rb1 Se1 Cl1 -145.25(10) 3_575 . . 5_445 ?
Cl3 Rb1 Se1 Cl1 -61.13(10) 6_665 . . 5_445 ?
Cl2 Rb1 Se1 Cl1 -16.13(10) . . . 5_445 ?
Cl1 Rb1 Se1 Cl1 83.82(12) 6_664 . . 5_445 ?
Cl3 Rb1 Se1 Cl1 24.39(10) 8_645 . . 5_445 ?
Cl1 Rb1 Se1 Cl1 -83.88(8) . . . 5_445 ?
Cl2 Rb1 Se1 Cl1 -169.10(13) 6_665 . . 5_445 ?
Rb1 Rb1 Se1 Cl1 123.17(10) 4_655 . . 5_445 ?
O1 Rb1 Se1 Cl3 -150.4(2) . . . 6_665 ?
O2 Rb1 Se1 Cl3 128.0(2) . . . 6_665 ?
Cl3 Rb1 Se1 Cl3 174.93(11) . . . 6_665 ?
Cl3 Rb1 Se1 Cl3 -84.12(8) 3_575 . . 6_665 ?
Cl2 Rb1 Se1 Cl3 45.00(11) . . . 6_665 ?
Cl1 Rb1 Se1 Cl3 144.95(7) 6_664 . . 6_665 ?
Cl3 Rb1 Se1 Cl3 85.52(6) 8_645 . . 6_665 ?
Cl1 Rb1 Se1 Cl3 -22.75(8) . . . 6_665 ?
Cl2 Rb1 Se1 Cl3 -107.97(9) 6_665 . . 6_665 ?
Rb1 Rb1 Se1 Cl3 -175.70(7) 4_655 . . 6_665 ?
O1 Rb1 Se1 Cl3 20.5(2) . . . 7_465 ?
O2 Rb1 Se1 Cl3 -61.2(2) . . . 7_465 ?
Cl3 Rb1 Se1 Cl3 -14.23(14) . . . 7_465 ?
Cl3 Rb1 Se1 Cl3 86.73(9) 3_575 . . 7_465 ?
Cl3 Rb1 Se1 Cl3 170.85(15) 6_665 . . 7_465 ?
Cl2 Rb1 Se1 Cl3 -144.15(11) . . . 7_465 ?
Cl1 Rb1 Se1 Cl3 -44.20(10) 6_664 . . 7_465 ?
Cl3 Rb1 Se1 Cl3 -103.63(11) 8_645 . . 7_465 ?
Cl1 Rb1 Se1 Cl3 148.10(10) . . . 7_465 ?
Cl2 Rb1 Se1 Cl3 62.88(10) 6_665 . . 7_465 ?
Rb1 Rb1 Se1 Cl3 -4.86(8) 4_655 . . 7_465 ?
O1 Rb1 Se1 Cl2 -42.4(2) . . . 6_665 ?
O2 Rb1 Se1 Cl2 -124.1(2) . . . 6_665 ?
Cl3 Rb1 Se1 Cl2 -77.11(12) . . . 6_665 ?
Cl3 Rb1 Se1 Cl2 23.85(7) 3_575 . . 6_665 ?
Cl3 Rb1 Se1 Cl2 107.97(9) 6_665 . . 6_665 ?
Cl2 Rb1 Se1 Cl2 152.97(14) . . . 6_665 ?
Cl1 Rb1 Se1 Cl2 -107.08(7) 6_664 . . 6_665 ?
Cl3 Rb1 Se1 Cl2 -166.51(7) 8_645 . . 6_665 ?
Cl1 Rb1 Se1 Cl2 85.22(9) . . . 6_665 ?
Rb1 Rb1 Se1 Cl2 -67.74(6) 4_655 . . 6_665 ?
O1 Rb1 Se1 Rb1 25.31(19) . . . 4_655 ?
O2 Rb1 Se1 Rb1 -56.3(2) . . . 4_655 ?
Cl3 Rb1 Se1 Rb1 -9.37(11) . . . 4_655 ?
Cl3 Rb1 Se1 Rb1 91.58(4) 3_575 . . 4_655 ?
Cl3 Rb1 Se1 Rb1 175.70(7) 6_665 . . 4_655 ?
Cl2 Rb1 Se1 Rb1 -139.30(8) . . . 4_655 ?
Cl1 Rb1 Se1 Rb1 -39.34(4) 6_664 . . 4_655 ?
Cl3 Rb1 Se1 Rb1 -98.78(4) 8_645 . . 4_655 ?
Cl1 Rb1 Se1 Rb1 152.95(4) . . . 4_655 ?
Cl2 Rb1 Se1 Rb1 67.74(6) 6_665 . . 4_655 ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.990
_refine_diff_density_rms         0.207
