# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_a_300k_tidy
_database_code_depnum_ccdc_archive 'CCDC 2424193'
loop_
_audit_author_name
_audit_author_address
'Yang Chi'
;Qufu Normal University
China
;
_audit_update_record             
;
2025-02-16 deposited with the CCDC.	2026-01-30 downloaded from the CCDC.
;
_audit_creation_date             2025-02-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'H O4 Rb Se'
_chemical_formula_sum            'H O4 Rb Se'
_chemical_formula_weight         229.44
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
Rb Rb -0.9393 2.9676 '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'

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

_cell_length_a                   4.6181(3)
_cell_length_b                   7.5724(5)
_cell_length_c                   10.6170(7)
_cell_angle_alpha                69.154(2)
_cell_angle_beta                 77.963(2)
_cell_angle_gamma                89.597(2)
_cell_volume                     338.43(4)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    6134
_cell_measurement_temperature    300.00
_cell_measurement_theta_max      30.74
_cell_measurement_theta_min      2.89
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.917
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.4128
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1139 before and 0.0546 after correction.
The Ratio of minimum to maximum transmission is 0.5531.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     ?
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.377
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             312
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.870
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13470
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.778
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.401
_diffrn_reflns_theta_min         2.104
_diffrn_ambient_temperature      300.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.870
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.788
_reflns_Friedel_fraction_full    0.970
_reflns_Friedel_fraction_max     0.685
_reflns_number_gt                3401
_reflns_number_total             3756
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.905
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.190
_refine_ls_abs_structure_details 
;
 Flack x determined using 1419 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.024(12)
_refine_ls_extinction_coef       0.020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         3756
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0342
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0484P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0799
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O1A-H1A
 1.03 with sigma of 0.02
 H2A-O2A
 1.018 with sigma of 0.02
 O2B-H2B
 1.018 with sigma of 0.02
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.5004(2) 2.06781(13) 0.53257(10) 0.0281(2) Uani 1 1 d . . . . .
Rb2A Rb 0.0826(2) 1.83282(12) 0.20194(9) 0.0280(2) Uani 1 1 d . . . . .
Rb2B Rb 0.9220(2) 1.50054(12) 0.86358(9) 0.0286(2) Uani 1 1 d . . . . .
Se1 Se 0.4954(2) 1.57940(12) 0.53427(8) 0.01888(18) Uani 1 1 d . . . . .
Se2A Se 0.20292(14) 1.32460(10) 0.19798(8) 0.0205(2) Uani 1 1 d . . . . .
Se2B Se 0.80388(14) 0.98945(10) 0.86750(8) 0.0206(2) Uani 1 1 d . . . . .
O1A O 0.7858(13) 1.4725(9) 0.4741(6) 0.0292(13) Uani 1 1 d D . . . .
O1B O 0.2136(13) 1.4190(8) 0.5921(6) 0.0274(12) Uani 1 1 d . . . . .
O2A O 0.4210(14) 1.4266(10) 0.2689(7) 0.0303(13) Uani 1 1 d D . . . .
O2B O 0.5810(15) 1.1624(9) 0.7972(7) 0.0329(14) Uani 1 1 d D . . . .
O3A O 0.4507(15) 1.7599(8) 0.4044(6) 0.0323(15) Uani 1 1 d . . . . .
O3B O 0.5610(16) 1.6342(9) 0.6591(6) 0.0316(14) Uani 1 1 d . . . . .
O4A O -0.0256(13) 1.4849(9) 0.1438(6) 0.0294(13) Uani 1 1 d . . . . .
O4B O 1.0308(14) 1.0964(9) 0.9209(7) 0.0312(14) Uani 1 1 d . . . . .
O5A O 0.4072(16) 1.2792(11) 0.0734(7) 0.0395(17) Uani 1 1 d . . . . .
O5B O 0.6027(17) 0.8213(10) 0.9930(7) 0.0413(17) Uani 1 1 d . . . . .
O6A O 0.0373(16) 1.1387(9) 0.3243(7) 0.0376(15) Uani 1 1 d . . . . .
O6B O 0.9691(17) 0.9271(10) 0.7420(7) 0.0394(16) Uani 1 1 d . . . . .
H1A H 0.956(16) 1.467(15) 0.524(10) 0.03(3) Uiso 1 1 d D . . . .
H2A H 0.627(10) 1.474(13) 0.211(8) 0.03(3) Uiso 1 1 d D . . . .
H2B H 0.371(11) 1.172(17) 0.845(11) 0.06(4) Uiso 1 1 d 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 Se1 3.8803(11) 1_565 ?
Rb1 Se2A 3.9204(14) 1_565 ?
Rb1 O1A 3.142(6) 1_565 ?
Rb1 O1B 3.166(6) 1_565 ?
Rb1 O2A 3.218(7) 1_565 ?
Rb1 O2B 3.228(7) 1_565 ?
Rb1 O3A 3.120(6) . ?
Rb1 O3B 3.109(6) . ?
Rb1 O6A 2.866(7) 1_665 ?
Rb1 O6A 3.296(8) 1_565 ?
Rb1 O6B 2.859(7) 1_465 ?
Rb1 O6B 3.325(8) 1_565 ?
Rb2A Se2A 3.7532(11) 1_565 ?
Rb2A Se2B 3.8156(11) 1_464 ?
Rb2A O1A 3.234(7) 1_455 ?
Rb2A O2A 3.354(7) . ?
Rb2A O3A 3.163(7) 1_455 ?
Rb2A O3A 2.912(6) . ?
Rb2A O4A 2.979(6) . ?
Rb2A O4B 2.999(7) 1_464 ?
Rb2A O5A 3.386(7) 1_565 ?
Rb2A O5B 2.934(7) 1_564 ?
Rb2A O5B 3.468(8) 1_464 ?
Rb2A O6A 3.019(7) 1_565 ?
Rb2B Se1 3.7772(14) 1_655 ?
Rb2B Se2B 3.7520(11) 1_565 ?
Rb2B O1B 3.184(6) 1_655 ?
Rb2B O2B 3.367(7) . ?
Rb2B O3B 2.905(6) . ?
Rb2B O3B 3.202(7) 1_655 ?
Rb2B O4A 2.995(6) 1_656 ?
Rb2B O4B 2.961(7) . ?
Rb2B O5A 3.488(8) 1_656 ?
Rb2B O5A 2.935(7) 1_556 ?
Rb2B O5B 3.383(7) 1_565 ?
Rb2B O6B 3.012(7) 1_565 ?
Se1 O1A 1.691(6) . ?
Se1 O1B 1.644(6) . ?
Se1 O3A 1.608(6) . ?
Se1 O3B 1.607(6) . ?
Se2A O2A 1.708(6) . ?
Se2A O4A 1.630(6) . ?
Se2A O5A 1.599(6) . ?
Se2A O6A 1.615(6) . ?
Se2B O2B 1.714(6) . ?
Se2B O4B 1.632(6) . ?
Se2B O5B 1.598(7) . ?
Se2B O6B 1.613(6) . ?
O1A H1A 1.03(3) . ?
O2A H2A 1.01(3) . ?
O2B H2B 1.01(3) . ?

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 Rb1 Se2A 80.20(2) 1_565 1_565 ?
O1A Rb1 Se1 25.16(11) 1_565 1_565 ?
O1A Rb1 Se2A 84.22(11) 1_565 1_565 ?
O1A Rb1 O1B 49.56(16) 1_565 1_565 ?
O1A Rb1 O2A 58.90(15) 1_565 1_565 ?
O1A Rb1 O2B 63.13(16) 1_565 1_565 ?
O1A Rb1 O6A 105.13(16) 1_565 1_565 ?
O1A Rb1 O6B 83.21(17) 1_565 1_565 ?
O1B Rb1 Se1 24.40(11) 1_565 1_565 ?
O1B Rb1 Se2A 78.02(11) 1_565 1_565 ?
O1B Rb1 O2A 63.19(16) 1_565 1_565 ?
O1B Rb1 O2B 58.88(16) 1_565 1_565 ?
O1B Rb1 O6A 83.54(16) 1_565 1_565 ?
O1B Rb1 O6B 104.92(16) 1_565 1_565 ?
O2A Rb1 Se1 57.86(11) 1_565 1_565 ?
O2A Rb1 Se2A 25.32(11) 1_565 1_565 ?
O2A Rb1 O2B 115.56(16) 1_565 1_565 ?
O2A Rb1 O6A 47.71(16) 1_565 1_565 ?
O2A Rb1 O6B 139.15(17) 1_565 1_565 ?
O2B Rb1 Se1 57.70(12) 1_565 1_565 ?
O2B Rb1 Se2A 136.27(12) 1_565 1_565 ?
O2B Rb1 O6A 139.47(17) 1_565 1_565 ?
O2B Rb1 O6B 47.57(16) 1_565 1_565 ?
O3A Rb1 Se1 154.66(11) . 1_565 ?
O3A Rb1 Se2A 74.83(11) . 1_565 ?
O3A Rb1 O1A 144.09(17) . 1_565 ?
O3A Rb1 O1B 146.17(17) . 1_565 ?
O3A Rb1 O2A 96.83(15) . 1_565 ?
O3A Rb1 O2B 147.60(16) . 1_565 ?
O3A Rb1 O6A 63.61(16) . 1_565 ?
O3A Rb1 O6B 107.51(16) . 1_565 ?
O3B Rb1 Se1 154.26(11) . 1_565 ?
O3B Rb1 Se2A 125.15(11) . 1_565 ?
O3B Rb1 O1A 145.24(17) . 1_565 ?
O3B Rb1 O1B 144.55(17) . 1_565 ?
O3B Rb1 O2A 147.80(15) . 1_565 ?
O3B Rb1 O2B 96.59(16) . 1_565 ?
O3B Rb1 O3A 51.08(13) . . ?
O3B Rb1 O6A 108.01(16) . 1_565 ?
O3B Rb1 O6B 63.15(16) . 1_565 ?
O6A Rb1 Se1 95.04(13) 1_665 1_565 ?
O6A Rb1 Se1 94.54(12) 1_565 1_565 ?
O6A Rb1 Se2A 79.18(15) 1_665 1_565 ?
O6A Rb1 Se2A 23.92(11) 1_565 1_565 ?
O6A Rb1 O1A 71.31(17) 1_665 1_565 ?
O6A Rb1 O1B 117.91(18) 1_665 1_565 ?
O6A Rb1 O2A 72.10(18) 1_665 1_565 ?
O6A Rb1 O2B 113.2(2) 1_665 1_565 ?
O6A Rb1 O3A 76.25(19) 1_665 . ?
O6A Rb1 O3B 94.43(19) 1_665 . ?
O6A Rb1 O6A 96.84(19) 1_665 1_565 ?
O6A Rb1 O6B 82.3(2) 1_665 1_565 ?
O6A Rb1 O6B 170.91(16) 1_565 1_565 ?
O6B Rb1 Se1 94.55(12) 1_565 1_565 ?
O6B Rb1 Se1 95.48(13) 1_465 1_565 ?
O6B Rb1 Se2A 160.15(13) 1_565 1_565 ?
O6B Rb1 Se2A 103.18(16) 1_465 1_565 ?
O6B Rb1 O1A 118.99(18) 1_465 1_565 ?
O6B Rb1 O1B 72.57(17) 1_465 1_565 ?
O6B Rb1 O2A 114.3(2) 1_465 1_565 ?
O6B Rb1 O2B 72.39(19) 1_465 1_565 ?
O6B Rb1 O3A 94.34(19) 1_465 . ?
O6B Rb1 O3B 75.75(19) 1_465 . ?
O6B Rb1 O6A 169.47(18) 1_465 1_665 ?
O6B Rb1 O6A 82.9(2) 1_465 1_565 ?
O6B Rb1 O6B 96.3(2) 1_465 1_565 ?
Se2A Rb2A Se2B 95.21(3) 1_565 1_464 ?
O1A Rb2A Se2A 124.49(10) 1_455 1_565 ?
O1A Rb2A Se2B 123.49(11) 1_455 1_464 ?
O1A Rb2A O2A 61.42(16) 1_455 . ?
O1A Rb2A O5A 147.02(15) 1_455 1_565 ?
O1A Rb2A O5B 98.86(16) 1_455 1_464 ?
O2A Rb2A Se2A 139.22(11) . 1_565 ?
O2A Rb2A Se2B 114.48(10) . 1_464 ?
O2A Rb2A O5A 127.37(18) . 1_565 ?
O2A Rb2A O5B 106.84(16) . 1_464 ?
O3A Rb2A Se2A 79.82(12) . 1_565 ?
O3A Rb2A Se2A 93.45(11) 1_455 1_565 ?
O3A Rb2A Se2B 96.48(11) 1_455 1_464 ?
O3A Rb2A Se2B 164.10(14) . 1_464 ?
O3A Rb2A O1A 48.71(15) 1_455 1_455 ?
O3A Rb2A O1A 70.69(16) . 1_455 ?
O3A Rb2A O2A 63.89(16) . . ?
O3A Rb2A O2A 109.28(16) 1_455 . ?
O3A Rb2A O3A 98.87(18) . 1_455 ?
O3A Rb2A O4A 110.86(17) . . ?
O3A Rb2A O4B 142.71(17) . 1_464 ?
O3A Rb2A O5A 117.18(16) 1_455 1_565 ?
O3A Rb2A O5A 85.20(18) . 1_565 ?
O3A Rb2A O5B 89.9(2) . 1_564 ?
O3A Rb2A O5B 76.92(16) 1_455 1_464 ?
O3A Rb2A O5B 168.29(17) . 1_464 ?
O3A Rb2A O6A 69.57(19) . 1_565 ?
O4A Rb2A Se2A 167.85(12) . 1_565 ?
O4A Rb2A Se2B 72.94(12) . 1_464 ?
O4A Rb2A O1A 66.19(16) . 1_455 ?
O4A Rb2A O2A 48.66(15) . . ?
O4A Rb2A O3A 90.61(17) . 1_455 ?
O4A Rb2A O4B 93.84(17) . 1_464 ?
O4A Rb2A O5A 146.00(17) . 1_565 ?
O4A Rb2A O5B 58.73(16) . 1_464 ?
O4A Rb2A O6A 163.80(19) . 1_565 ?
O4B Rb2A Se2A 74.02(12) 1_464 1_565 ?
O4B Rb2A Se2B 24.10(12) 1_464 1_464 ?
O4B Rb2A O1A 146.56(17) 1_464 1_455 ?
O4B Rb2A O2A 125.51(16) 1_464 . ?
O4B Rb2A O3A 108.66(16) 1_464 1_455 ?
O4B Rb2A O5A 60.17(17) 1_464 1_565 ?
O4B Rb2A O5B 48.07(17) 1_464 1_464 ?
O4B Rb2A O6A 94.31(17) 1_464 1_565 ?
O5A Rb2A Se2A 25.22(11) 1_565 1_565 ?
O5A Rb2A Se2B 84.15(13) 1_565 1_464 ?
O5A Rb2A O5B 106.47(17) 1_565 1_464 ?
O5B Rb2A Se2A 111.14(12) 1_464 1_565 ?
O5B Rb2A Se2A 100.73(15) 1_564 1_565 ?
O5B Rb2A Se2B 24.75(11) 1_464 1_464 ?
O5B Rb2A Se2B 76.09(16) 1_564 1_464 ?
O5B Rb2A O1A 124.41(17) 1_564 1_455 ?
O5B Rb2A O2A 63.24(17) 1_564 . ?
O5B Rb2A O3A 164.5(2) 1_564 1_455 ?
O5B Rb2A O4A 74.24(19) 1_564 . ?
O5B Rb2A O4B 69.81(19) 1_564 1_464 ?
O5B Rb2A O5A 76.09(18) 1_564 1_565 ?
O5B Rb2A O5B 91.9(2) 1_564 1_464 ?
O5B Rb2A O6A 121.8(2) 1_564 1_565 ?
O6A Rb2A Se2A 24.68(12) 1_565 1_565 ?
O6A Rb2A Se2B 111.33(14) 1_565 1_464 ?
O6A Rb2A O1A 99.88(16) 1_565 1_455 ?
O6A Rb2A O2A 133.28(18) 1_565 . ?
O6A Rb2A O3A 73.51(17) 1_565 1_455 ?
O6A Rb2A O5A 49.33(16) 1_565 1_565 ?
O6A Rb2A O5B 118.68(19) 1_565 1_464 ?
Se2B Rb2B Se1 104.25(3) 1_565 1_655 ?
O1B Rb2B Se1 25.55(11) 1_655 1_655 ?
O1B Rb2B Se2B 123.36(11) 1_655 1_565 ?
O1B Rb2B O2B 62.18(16) 1_655 . ?
O1B Rb2B O3B 49.22(15) 1_655 1_655 ?
O1B Rb2B O5A 99.77(15) 1_655 1_656 ?
O1B Rb2B O5B 146.08(16) 1_655 1_565 ?
O2B Rb2B Se1 87.72(12) . 1_655 ?
O2B Rb2B Se2B 139.32(11) . 1_565 ?
O2B Rb2B O5A 107.33(16) . 1_656 ?
O2B Rb2B O5B 127.68(18) . 1_565 ?
O3B Rb2B Se1 79.03(14) . 1_655 ?
O3B Rb2B Se1 24.91(10) 1_655 1_655 ?
O3B Rb2B Se2B 92.16(11) 1_655 1_565 ?
O3B Rb2B Se2B 79.92(12) . 1_565 ?
O3B Rb2B O1B 69.53(16) . 1_655 ?
O3B Rb2B O2B 110.47(16) 1_655 . ?
O3B Rb2B O2B 64.15(16) . . ?
O3B Rb2B O3B 98.14(18) . 1_655 ?
O3B Rb2B O4A 143.11(17) . 1_656 ?
O3B Rb2B O4B 110.93(17) . . ?
O3B Rb2B O5A 76.99(15) 1_655 1_656 ?
O3B Rb2B O5A 168.38(17) . 1_656 ?
O3B Rb2B O5A 91.1(2) . 1_556 ?
O3B Rb2B O5B 115.74(16) 1_655 1_565 ?
O3B Rb2B O5B 85.90(18) . 1_565 ?
O3B Rb2B O6B 69.50(19) . 1_565 ?
O4A Rb2B Se1 132.11(13) 1_656 1_655 ?
O4A Rb2B Se2B 73.76(12) 1_656 1_565 ?
O4A Rb2B O1B 147.24(16) 1_656 1_655 ?
O4A Rb2B O2B 125.60(17) 1_656 . ?
O4A Rb2B O3B 108.11(16) 1_656 1_655 ?
O4A Rb2B O5A 47.96(16) 1_656 1_656 ?
O4A Rb2B O5B 59.66(17) 1_656 1_565 ?
O4A Rb2B O6B 93.95(17) 1_656 1_565 ?
O4B Rb2B Se1 83.71(14) . 1_655 ?
O4B Rb2B Se2B 167.86(13) . 1_565 ?
O4B Rb2B O1B 67.20(17) . 1_655 ?
O4B Rb2B O2B 48.71(16) . . ?
O4B Rb2B O3B 91.61(17) . 1_655 ?
O4B Rb2B O4A 94.10(18) . 1_656 ?
O4B Rb2B O5A 59.21(16) . 1_656 ?
O4B Rb2B O5B 146.07(18) . 1_565 ?
O4B Rb2B O6B 163.6(2) . 1_565 ?
O5A Rb2B Se1 93.14(11) 1_656 1_655 ?
O5A Rb2B Se1 150.03(13) 1_556 1_655 ?
O5A Rb2B Se2B 101.72(14) 1_556 1_565 ?
O5A Rb2B Se2B 110.56(11) 1_656 1_565 ?
O5A Rb2B O1B 124.61(17) 1_556 1_655 ?
O5A Rb2B O2B 62.67(18) 1_556 . ?
O5A Rb2B O3B 164.5(2) 1_556 1_655 ?
O5A Rb2B O4A 69.92(18) 1_556 1_656 ?
O5A Rb2B O4B 73.4(2) 1_556 . ?
O5A Rb2B O5A 91.5(2) 1_556 1_656 ?
O5A Rb2B O5B 77.14(18) 1_556 1_565 ?
O5A Rb2B O6B 122.8(2) 1_556 1_565 ?
O5B Rb2B Se1 129.43(12) 1_565 1_655 ?
O5B Rb2B Se2B 25.20(12) 1_565 1_565 ?
O5B Rb2B O5A 105.72(17) 1_565 1_656 ?
O6B Rb2B Se1 80.31(13) 1_565 1_655 ?
O6B Rb2B Se2B 24.61(12) 1_565 1_565 ?
O6B Rb2B O1B 98.84(16) 1_565 1_655 ?
O6B Rb2B O2B 133.53(18) 1_565 . ?
O6B Rb2B O3B 72.31(17) 1_565 1_655 ?
O6B Rb2B O5A 117.97(19) 1_565 1_656 ?
O6B Rb2B O5B 49.30(17) 1_565 1_565 ?
Rb2A Se1 Rb1 99.88(3) 1_655 1_545 ?
Rb2B Se1 Rb1 99.93(3) 1_455 1_545 ?
Rb2B Se1 Rb2A 160.18(4) 1_455 1_655 ?
O1A Se1 Rb1 52.2(2) . 1_545 ?
O1A Se1 Rb2A 56.6(2) . 1_655 ?
O1A Se1 Rb2B 139.2(2) . 1_455 ?
O1B Se1 Rb1 52.7(2) . 1_545 ?
O1B Se1 Rb2A 139.7(2) . 1_655 ?
O1B Se1 Rb2B 56.6(2) . 1_455 ?
O1B Se1 O1A 104.9(3) . . ?
O3A Se1 Rb1 122.8(2) . 1_545 ?
O3A Se1 Rb2A 53.6(3) . 1_655 ?
O3A Se1 Rb2B 114.4(3) . 1_455 ?
O3A Se1 O1A 106.2(3) . . ?
O3A Se1 O1B 112.4(3) . . ?
O3B Se1 Rb1 123.7(2) . 1_545 ?
O3B Se1 Rb2A 110.2(3) . 1_655 ?
O3B Se1 Rb2B 57.1(3) . 1_455 ?
O3B Se1 O1A 109.8(3) . . ?
O3B Se1 O1B 109.8(3) . . ?
O3B Se1 O3A 113.3(3) . . ?
Rb1 Se2A Rb2B 108.25(3) 1_545 1_554 ?
Rb2A Se2A Rb1 84.29(3) 1_545 1_545 ?
Rb2A Se2A Rb1 103.69(3) . 1_545 ?
Rb2A Se2A Rb2A 163.52(4) 1_545 . ?
Rb2A Se2A Rb2B 86.95(2) 1_545 1_454 ?
Rb2A Se2A Rb2B 96.95(2) 1_545 1_554 ?
Rb2A Se2A Rb2B 94.20(2) . 1_554 ?
Rb2B Se2A Rb1 171.00(3) 1_454 1_545 ?
Rb2B Se2A Rb2A 85.32(3) 1_454 . ?
Rb2B Se2A Rb2B 70.73(2) 1_454 1_554 ?
O2A Se2A Rb1 53.7(2) . 1_545 ?
O2A Se2A Rb2A 134.5(2) . 1_545 ?
O2A Se2A Rb2A 59.0(2) . . ?
O2A Se2A Rb2B 82.8(2) . 1_554 ?
O2A Se2A Rb2B 133.8(2) . 1_454 ?
O4A Se2A Rb1 139.3(2) . 1_545 ?
O4A Se2A Rb2A 45.1(2) . . ?
O4A Se2A Rb2A 120.4(2) . 1_545 ?
O4A Se2A Rb2B 100.7(2) . 1_554 ?
O4A Se2A Rb2B 48.3(2) . 1_454 ?
O4A Se2A O2A 104.0(3) . . ?
O5A Se2A Rb1 108.1(3) . 1_545 ?
O5A Se2A Rb2A 64.5(3) . 1_545 ?
O5A Se2A Rb2A 124.5(3) . . ?
O5A Se2A Rb2B 32.9(3) . 1_554 ?
O5A Se2A Rb2B 65.9(3) . 1_454 ?
O5A Se2A O2A 109.1(3) . . ?
O5A Se2A O4A 111.7(4) . . ?
O5A Se2A O6A 113.9(4) . . ?
O6A Se2A Rb1 55.8(3) . 1_545 ?
O6A Se2A Rb2A 121.6(2) . . ?
O6A Se2A Rb2A 51.3(2) . 1_545 ?
O6A Se2A Rb2B 119.3(3) . 1_454 ?
O6A Se2A Rb2B 142.4(2) . 1_554 ?
O6A Se2A O2A 104.9(4) . . ?
O6A Se2A O4A 112.5(4) . . ?
Rb1 Se2B Rb1 69.71(2) 1_545 1_645 ?
Rb2A Se2B Rb1 110.53(2) 1_646 1_645 ?
Rb2A Se2B Rb1 171.22(3) 1_646 1_545 ?
Rb2A Se2B Rb2B 85.00(2) 1_646 . ?
Rb2B Se2B Rb1 75.56(2) 1_545 1_645 ?
Rb2B Se2B Rb1 103.77(3) . 1_545 ?
Rb2B Se2B Rb1 84.14(3) 1_545 1_545 ?
Rb2B Se2B Rb1 93.73(3) . 1_645 ?
Rb2B Se2B Rb2A 87.44(2) 1_545 1_646 ?
Rb2B Se2B Rb2B 163.81(4) 1_545 . ?
O2B Se2B Rb1 53.4(2) . 1_545 ?
O2B Se2B Rb1 101.4(2) . 1_645 ?
O2B Se2B Rb2A 133.5(2) . 1_646 ?
O2B Se2B Rb2B 59.5(2) . . ?
O2B Se2B Rb2B 133.9(2) . 1_545 ?
O4B Se2B Rb1 85.3(2) . 1_645 ?
O4B Se2B Rb1 139.1(2) . 1_545 ?
O4B Se2B Rb2A 48.6(2) . 1_646 ?
O4B Se2B Rb2B 121.3(2) . 1_545 ?
O4B Se2B Rb2B 44.5(2) . . ?
O4B Se2B O2B 103.9(3) . . ?
O5B Se2B Rb1 108.4(3) . 1_545 ?
O5B Se2B Rb1 139.7(3) . 1_645 ?
O5B Se2B Rb2A 65.4(3) . 1_646 ?
O5B Se2B Rb2B 64.4(3) . 1_545 ?
O5B Se2B Rb2B 124.3(3) . . ?
O5B Se2B O2B 108.9(4) . . ?
O5B Se2B O4B 111.5(4) . . ?
O5B Se2B O6B 113.7(4) . . ?
O6B Se2B Rb1 30.2(3) . 1_645 ?
O6B Se2B Rb1 56.2(3) . 1_545 ?
O6B Se2B Rb2A 119.5(3) . 1_646 ?
O6B Se2B Rb2B 51.1(3) . 1_545 ?
O6B Se2B Rb2B 121.9(3) . . ?
O6B Se2B O2B 105.3(4) . . ?
O6B Se2B O4B 112.8(4) . . ?
Rb1 O1A Rb2A 135.85(19) 1_545 1_655 ?
Rb1 O1A H1A 112(6) 1_545 . ?
Rb2A O1A H1A 95(6) 1_655 . ?
Se1 O1A Rb1 102.6(3) . 1_545 ?
Se1 O1A Rb2A 97.5(3) . 1_655 ?
Se1 O1A H1A 112(6) . . ?
Rb1 O1B Rb2B 134.9(2) 1_545 1_455 ?
Se1 O1B Rb1 102.9(3) . 1_545 ?
Se1 O1B Rb2B 97.8(3) . 1_455 ?
Rb1 O2A Rb2A 138.6(2) 1_545 . ?
Rb1 O2A H2A 106(6) 1_545 . ?
Rb2A O2A H2A 101(6) . . ?
Se2A O2A Rb1 101.0(3) . 1_545 ?
Se2A O2A Rb2A 95.2(3) . . ?
Se2A O2A H2A 115(6) . . ?
Rb1 O2B Rb2B 138.4(2) 1_545 . ?
Rb1 O2B H2B 104(7) 1_545 . ?
Rb2B O2B H2B 99(7) . . ?
Se2B O2B Rb1 101.3(3) . 1_545 ?
Se2B O2B Rb2B 94.5(3) . . ?
Se2B O2B H2B 124(7) . . ?
Rb1 O3A Rb2A 99.99(18) . 1_655 ?
Rb2A O3A Rb1 117.2(2) . . ?
Rb2A O3A Rb2A 98.87(18) . 1_655 ?
Se1 O3A Rb1 97.5(3) . . ?
Se1 O3A Rb2A 102.3(3) . 1_655 ?
Se1 O3A Rb2A 135.1(3) . . ?
Rb1 O3B Rb2B 100.18(18) . 1_455 ?
Rb2B O3B Rb1 118.0(2) . . ?
Rb2B O3B Rb2B 98.14(18) . 1_455 ?
Se1 O3B Rb1 98.0(3) . . ?
Se1 O3B Rb2B 136.9(3) . . ?
Se1 O3B Rb2B 98.0(3) . 1_455 ?
Rb2A O4A Rb2B 122.2(2) . 1_454 ?
Se2A O4A Rb2A 112.2(3) . . ?
Se2A O4A Rb2B 107.7(3) . 1_454 ?
Rb2B O4B Rb2A 121.9(2) . 1_646 ?
Se2B O4B Rb2A 107.3(3) . 1_646 ?
Se2B O4B Rb2B 112.8(3) . . ?
Rb2A O5A Rb2B 98.57(18) 1_545 1_454 ?
Rb2B O5A Rb2A 138.8(2) 1_554 1_545 ?
Rb2B O5A Rb2B 91.5(2) 1_554 1_454 ?
Se2A O5A Rb2A 90.3(3) . 1_545 ?
Se2A O5A Rb2B 129.9(4) . 1_554 ?
Se2A O5A Rb2B 89.3(3) . 1_454 ?
Rb2A O5B Rb2A 91.9(2) 1_546 1_646 ?
Rb2A O5B Rb2B 137.8(2) 1_546 1_545 ?
Rb2B O5B Rb2A 99.53(19) 1_545 1_646 ?
Se2B O5B Rb2A 130.4(4) . 1_546 ?
Se2B O5B Rb2A 89.9(3) . 1_646 ?
Se2B O5B Rb2B 90.4(3) . 1_545 ?
Rb1 O6A Rb1 96.84(19) 1_445 1_545 ?
Rb1 O6A Rb2A 109.7(2) 1_445 1_545 ?
Rb2A O6A Rb1 109.2(2) 1_545 1_545 ?
Se2A O6A Rb1 100.3(3) . 1_545 ?
Se2A O6A Rb1 134.3(4) . 1_445 ?
Se2A O6A Rb2A 104.0(3) . 1_545 ?
Rb1 O6B Rb1 96.3(2) 1_645 1_545 ?
Rb1 O6B Rb2B 111.1(2) 1_645 1_545 ?
Rb2B O6B Rb1 108.8(2) 1_545 1_545 ?
Se2B O6B Rb1 100.1(3) . 1_545 ?
Se2B O6B Rb1 133.3(4) . 1_645 ?
Se2B O6B Rb2B 104.3(3) . 1_545 ?

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 Se1 O1A Rb2A 140.5(3) 1_545 . . 1_655 ?
Rb1 Se1 O1B Rb2B 139.6(3) 1_545 . . 1_455 ?
Rb1 Se1 O3A Rb1 -179.14(4) 1_545 . . . ?
Rb1 Se1 O3A Rb2A 39.1(6) 1_545 . . . ?
Rb1 Se1 O3A Rb2A -77.1(3) 1_545 . . 1_655 ?
Rb1 Se1 O3B Rb1 179.11(4) 1_545 . . . ?
Rb1 Se1 O3B Rb2B -79.4(2) 1_545 . . 1_455 ?
Rb1 Se1 O3B Rb2B 31.7(7) 1_545 . . . ?
Rb1 Se2A O2A Rb2A -141.7(3) 1_545 . . . ?
Rb1 Se2A O4A Rb2A 49.7(4) 1_545 . . . ?
Rb1 Se2A O4A Rb2B -173.11(8) 1_545 . . 1_454 ?
Rb1 Se2A O5A Rb2A 74.20(17) 1_545 . . 1_545 ?
Rb1 Se2A O5A Rb2B 172.77(5) 1_545 . . 1_454 ?
Rb1 Se2A O5A Rb2B -95.8(5) 1_545 . . 1_554 ?
Rb1 Se2A O6A Rb1 110.2(5) 1_545 . . 1_445 ?
Rb1 Se2A O6A Rb2A -112.9(3) 1_545 . . 1_545 ?
Rb1 Se2B O2B Rb1 53.8(2) 1_645 . . 1_545 ?
Rb1 Se2B O2B Rb2B -87.58(15) 1_645 . . . ?
Rb1 Se2B O2B Rb2B -141.4(3) 1_545 . . . ?
Rb1 Se2B O4B Rb2A -174.02(8) 1_545 . . 1_646 ?
Rb1 Se2B O4B Rb2A -122.8(2) 1_645 . . 1_646 ?
Rb1 Se2B O4B Rb2B 100.2(3) 1_645 . . . ?
Rb1 Se2B O4B Rb2B 49.0(5) 1_545 . . . ?
Rb1 Se2B O5B Rb2A -94.3(5) 1_545 . . 1_546 ?
Rb1 Se2B O5B Rb2A 93.2(4) 1_645 . . 1_646 ?
Rb1 Se2B O5B Rb2A 173.30(5) 1_545 . . 1_646 ?
Rb1 Se2B O5B Rb2A -174.37(13) 1_645 . . 1_546 ?
Rb1 Se2B O5B Rb2B 73.78(18) 1_545 . . 1_545 ?
Rb1 Se2B O5B Rb2B -6.3(5) 1_645 . . 1_545 ?
Rb1 Se2B O6B Rb1 108.8(5) 1_545 . . 1_645 ?
Rb1 Se2B O6B Rb1 -108.8(5) 1_645 . . 1_545 ?
Rb1 Se2B O6B Rb2B -112.6(3) 1_545 . . 1_545 ?
Rb1 Se2B O6B Rb2B 138.7(7) 1_645 . . 1_545 ?
Rb2A Se1 O1A Rb1 -140.5(3) 1_655 . . 1_545 ?
Rb2A Se1 O1B Rb1 55.5(4) 1_655 . . 1_545 ?
Rb2A Se1 O1B Rb2B -164.83(14) 1_655 . . 1_455 ?
Rb2A Se1 O3A Rb1 -102.0(2) 1_655 . . . ?
Rb2A Se1 O3A Rb2A 116.2(5) 1_655 . . . ?
Rb2A Se1 O3B Rb1 61.4(2) 1_655 . . . ?
Rb2A Se1 O3B Rb2B 162.89(8) 1_655 . . 1_455 ?
Rb2A Se1 O3B Rb2B -86.1(5) 1_655 . . . ?
Rb2A Se2A O2A Rb1 141.7(3) . . . 1_545 ?
Rb2A Se2A O2A Rb1 -26.3(4) 1_545 . . 1_545 ?
Rb2A Se2A O2A Rb2A -167.98(10) 1_545 . . . ?
Rb2A Se2A O4A Rb2A 170.06(11) 1_545 . . . ?
Rb2A Se2A O4A Rb2B 137.2(4) . . . 1_454 ?
Rb2A Se2A O4A Rb2B -52.8(3) 1_545 . . 1_454 ?
Rb2A Se2A O5A Rb2A -163.99(8) . . . 1_545 ?
Rb2A Se2A O5A Rb2B 98.56(18) 1_545 . . 1_454 ?
Rb2A Se2A O5A Rb2B -170.0(6) 1_545 . . 1_554 ?
Rb2A Se2A O5A Rb2B -65.4(2) . . . 1_454 ?
Rb2A Se2A O5A Rb2B 26.0(6) . . . 1_554 ?
Rb2A Se2A O6A Rb1 24.9(6) . . . 1_445 ?
Rb2A Se2A O6A Rb1 -85.3(3) . . . 1_545 ?
Rb2A Se2A O6A Rb1 112.9(3) 1_545 . . 1_545 ?
Rb2A Se2A O6A Rb1 -136.8(7) 1_545 . . 1_445 ?
Rb2A Se2A O6A Rb2A 161.75(8) . . . 1_545 ?
Rb2A Se2B O2B Rb1 -172.94(7) 1_646 . . 1_545 ?
Rb2A Se2B O2B Rb2B 45.7(3) 1_646 . . . ?
Rb2A Se2B O4B Rb2B -137.0(4) 1_646 . . . ?
Rb2A Se2B O5B Rb2A 92.4(5) 1_646 . . 1_546 ?
Rb2A Se2B O5B Rb2B -99.53(19) 1_646 . . 1_545 ?
Rb2A Se2B O6B Rb1 171.04(5) 1_646 . . 1_545 ?
Rb2A Se2B O6B Rb1 -80.2(5) 1_646 . . 1_645 ?
Rb2A Se2B O6B Rb2B 58.5(3) 1_646 . . 1_545 ?
Rb2B Se1 O1A Rb1 55.6(3) 1_455 . . 1_545 ?
Rb2B Se1 O1A Rb2A -163.90(13) 1_455 . . 1_655 ?
Rb2B Se1 O1B Rb1 -139.6(3) 1_455 . . 1_545 ?
Rb2B Se1 O3A Rb1 59.6(2) 1_455 . . . ?
Rb2B Se1 O3A Rb2A -82.2(5) 1_455 . . . ?
Rb2B Se1 O3A Rb2A 161.63(9) 1_455 . . 1_655 ?
Rb2B Se1 O3B Rb1 -101.5(2) 1_455 . . . ?
Rb2B Se1 O3B Rb2B 111.1(6) 1_455 . . . ?
Rb2B Se2A O2A Rb1 -118.97(18) 1_554 . . 1_545 ?
Rb2B Se2A O2A Rb1 -173.41(7) 1_454 . . 1_545 ?
Rb2B Se2A O2A Rb2A 99.32(15) 1_554 . . . ?
Rb2B Se2A O2A Rb2A 44.9(3) 1_454 . . . ?
Rb2B Se2A O4A Rb2A -137.2(4) 1_454 . . . ?
Rb2B Se2A O4A Rb2A -85.3(2) 1_554 . . . ?
Rb2B Se2A O4A Rb2B 51.9(2) 1_554 . . 1_454 ?
Rb2B Se2A O5A Rb2A -98.56(18) 1_454 . . 1_545 ?
Rb2B Se2A O5A Rb2A 170.0(6) 1_554 . . 1_545 ?
Rb2B Se2A O5A Rb2B 91.4(5) 1_454 . . 1_554 ?
Rb2B Se2A O5A Rb2B -91.4(5) 1_554 . . 1_454 ?
Rb2B Se2A O6A Rb1 171.08(5) 1_454 . . 1_545 ?
Rb2B Se2A O6A Rb1 -78.7(5) 1_454 . . 1_445 ?
Rb2B Se2A O6A Rb1 74.8(4) 1_554 . . 1_545 ?
Rb2B Se2A O6A Rb1 -174.94(13) 1_554 . . 1_445 ?
Rb2B Se2A O6A Rb2A 58.1(3) 1_454 . . 1_545 ?
Rb2B Se2A O6A Rb2A -38.1(5) 1_554 . . 1_545 ?
Rb2B Se2B O2B Rb1 -27.1(4) 1_545 . . 1_545 ?
Rb2B Se2B O2B Rb1 141.4(3) . . . 1_545 ?
Rb2B Se2B O2B Rb2B -168.48(10) 1_545 . . . ?
Rb2B Se2B O4B Rb2A -52.8(3) 1_545 . . 1_646 ?
Rb2B Se2B O4B Rb2A 137.0(4) . . . 1_646 ?
Rb2B Se2B O4B Rb2B 170.17(11) 1_545 . . . ?
Rb2B Se2B O5B Rb2A 27.8(6) . . . 1_546 ?
Rb2B Se2B O5B Rb2A -64.6(3) . . . 1_646 ?
Rb2B Se2B O5B Rb2A -168.0(6) 1_545 . . 1_546 ?
Rb2B Se2B O5B Rb2A 99.53(19) 1_545 . . 1_646 ?
Rb2B Se2B O5B Rb2B -164.16(8) . . . 1_545 ?
Rb2B Se2B O6B Rb1 112.6(3) 1_545 . . 1_545 ?
Rb2B Se2B O6B Rb1 -85.4(3) . . . 1_545 ?
Rb2B Se2B O6B Rb1 23.4(6) . . . 1_645 ?
Rb2B Se2B O6B Rb1 -138.7(7) 1_545 . . 1_645 ?
Rb2B Se2B O6B Rb2B 162.04(9) . . . 1_545 ?
O1A Se1 O1B Rb1 0.1(3) . . . 1_545 ?
O1A Se1 O1B Rb2B 139.7(2) . . . 1_455 ?
O1A Se1 O3A Rb1 -124.0(2) . . . . ?
O1A Se1 O3A Rb2A 94.2(5) . . . . ?
O1A Se1 O3A Rb2A -22.0(3) . . . 1_655 ?
O1A Se1 O3B Rb1 122.0(3) . . . . ?
O1A Se1 O3B Rb2B -25.4(6) . . . . ?
O1A Se1 O3B Rb2B -136.5(3) . . . 1_455 ?
O1B Se1 O1A Rb1 -0.1(3) . . . 1_545 ?
O1B Se1 O1A Rb2A 140.4(2) . . . 1_655 ?
O1B Se1 O3A Rb1 121.8(3) . . . . ?
O1B Se1 O3A Rb2A -136.2(3) . . . 1_655 ?
O1B Se1 O3A Rb2A -20.0(6) . . . . ?
O1B Se1 O3B Rb1 -123.2(3) . . . . ?
O1B Se1 O3B Rb2B 89.4(6) . . . . ?
O1B Se1 O3B Rb2B -21.7(3) . . . 1_455 ?
O2A Se2A O4A Rb2A -0.1(4) . . . . ?
O2A Se2A O4A Rb2B 137.1(3) . . . 1_454 ?
O2A Se2A O5A Rb2A 131.1(3) . . . 1_545 ?
O2A Se2A O5A Rb2B -38.9(6) . . . 1_554 ?
O2A Se2A O5A Rb2B -130.3(3) . . . 1_454 ?
O2A Se2A O6A Rb1 -22.9(3) . . . 1_545 ?
O2A Se2A O6A Rb1 87.4(5) . . . 1_445 ?
O2A Se2A O6A Rb2A -135.8(3) . . . 1_545 ?
O2B Se2B O4B Rb2A 136.6(3) . . . 1_646 ?
O2B Se2B O4B Rb2B -0.4(4) . . . . ?
O2B Se2B O5B Rb2A -37.6(6) . . . 1_546 ?
O2B Se2B O5B Rb2A -130.0(3) . . . 1_646 ?
O2B Se2B O5B Rb2B 130.4(3) . . . 1_545 ?
O2B Se2B O6B Rb1 -22.2(3) . . . 1_545 ?
O2B Se2B O6B Rb1 86.6(5) . . . 1_645 ?
O2B Se2B O6B Rb2B -134.7(3) . . . 1_545 ?
O3A Se1 O1A Rb1 -119.3(3) . . . 1_545 ?
O3A Se1 O1A Rb2A 21.2(3) . . . 1_655 ?
O3A Se1 O1B Rb1 115.1(3) . . . 1_545 ?
O3A Se1 O1B Rb2B -105.3(3) . . . 1_455 ?
O3A Se1 O3B Rb1 3.4(4) . . . . ?
O3A Se1 O3B Rb2B -144.0(5) . . . . ?
O3A Se1 O3B Rb2B 104.9(3) . . . 1_455 ?
O3B Se1 O1A Rb1 117.8(3) . . . 1_545 ?
O3B Se1 O1A Rb2A -101.7(3) . . . 1_655 ?
O3B Se1 O1B Rb1 -117.8(3) . . . 1_545 ?
O3B Se1 O1B Rb2B 21.8(3) . . . 1_455 ?
O3B Se1 O3A Rb1 -3.3(4) . . . . ?
O3B Se1 O3A Rb2A 98.6(4) . . . 1_655 ?
O3B Se1 O3A Rb2A -145.2(4) . . . . ?
O4A Se2A O2A Rb1 141.8(3) . . . 1_545 ?
O4A Se2A O2A Rb2A 0.1(3) . . . . ?
O4A Se2A O5A Rb2A -114.4(3) . . . 1_545 ?
O4A Se2A O5A Rb2B 75.6(5) . . . 1_554 ?
O4A Se2A O5A Rb2B -15.9(3) . . . 1_454 ?
O4A Se2A O6A Rb1 -135.3(3) . . . 1_545 ?
O4A Se2A O6A Rb1 -25.0(6) . . . 1_445 ?
O4A Se2A O6A Rb2A 111.8(3) . . . 1_545 ?
O4B Se2B O2B Rb1 141.7(3) . . . 1_545 ?
O4B Se2B O2B Rb2B 0.3(3) . . . . ?
O4B Se2B O5B Rb2A 76.5(6) . . . 1_546 ?
O4B Se2B O5B Rb2A -15.9(3) . . . 1_646 ?
O4B Se2B O5B Rb2B -115.5(3) . . . 1_545 ?
O4B Se2B O6B Rb1 -26.1(6) . . . 1_645 ?
O4B Se2B O6B Rb1 -134.8(3) . . . 1_545 ?
O4B Se2B O6B Rb2B 112.6(3) . . . 1_545 ?
O5A Se2A O2A Rb1 -98.9(3) . . . 1_545 ?
O5A Se2A O2A Rb2A 119.4(3) . . . . ?
O5A Se2A O4A Rb2A -117.6(3) . . . . ?
O5A Se2A O4A Rb2B 19.5(4) . . . 1_454 ?
O5A Se2A O6A Rb1 96.3(4) . . . 1_545 ?
O5A Se2A O6A Rb1 -153.4(5) . . . 1_445 ?
O5A Se2A O6A Rb2A -16.6(4) . . . 1_545 ?
O5B Se2B O2B Rb1 -99.3(4) . . . 1_545 ?
O5B Se2B O2B Rb2B 119.3(3) . . . . ?
O5B Se2B O4B Rb2A 19.4(4) . . . 1_646 ?
O5B Se2B O4B Rb2B -117.6(4) . . . . ?
O5B Se2B O6B Rb1 -154.3(5) . . . 1_645 ?
O5B Se2B O6B Rb1 97.0(4) . . . 1_545 ?
O5B Se2B O6B Rb2B -15.6(4) . . . 1_545 ?
O6A Se2A O2A Rb1 23.5(3) . . . 1_545 ?
O6A Se2A O2A Rb2A -118.2(3) . . . . ?
O6A Se2A O4A Rb2A 112.9(3) . . . . ?
O6A Se2A O4A Rb2B -110.0(3) . . . 1_454 ?
O6A Se2A O5A Rb2A 14.3(4) . . . 1_545 ?
O6A Se2A O5A Rb2B -155.7(5) . . . 1_554 ?
O6A Se2A O5A Rb2B 112.9(3) . . . 1_454 ?
O6B Se2B O2B Rb1 23.0(3) . . . 1_545 ?
O6B Se2B O2B Rb2B -118.4(3) . . . . ?
O6B Se2B O4B Rb2A -110.0(3) . . . 1_646 ?
O6B Se2B O4B Rb2B 113.0(4) . . . . ?
O6B Se2B O5B Rb2A -154.6(5) . . . 1_546 ?
O6B Se2B O5B Rb2A 112.9(3) . . . 1_646 ?
O6B Se2B O5B Rb2B 13.4(4) . . . 1_545 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_388k_c2_2_h_tidy
_database_code_depnum_ccdc_archive 'CCDC 2424195'
loop_
_audit_author_name
_audit_author_address
'Yang Chi'
;Qufu Normal University
China
;
_audit_update_record             
;
2025-02-16 deposited with the CCDC.	2026-01-30 downloaded from the CCDC.
;
_audit_creation_date             2025-02-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'H O4 Rb Se'
_chemical_formula_sum            'H O4 Rb Se'
_chemical_formula_weight         229.44
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
Rb Rb -0.9393 2.9676 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   19.9401(11)
_cell_length_b                   7.6068(4)
_cell_length_c                   4.6292(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.751(3)
_cell_angle_gamma                90
_cell_volume                     684.84(6)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    5204
_cell_measurement_temperature    388.00
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      2.87
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.697
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.338
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            13700
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.353
_diffrn_reflns_theta_min         2.094
_diffrn_ambient_temperature      388.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.793
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.821
_reflns_number_gt                1841
_reflns_number_total             2116
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.710
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.144
_refine_ls_abs_structure_details 
;
 Flack x determined using 761 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(13)
_refine_ls_extinction_coef       0.0058(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     92
_refine_ls_number_reflns         2116
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0290
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0375P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0646
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O2-H2
 1.01 with sigma of 0.02
 O1-H1
 1.02 with sigma of 0.02
 H1_$1-H1
 0.53 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
: with sigma of 0.01 and sigma for terminal atoms of 0.02
: with sigma of 0.015 and sigma for terminal atoms of 0.03
3. Others
 Fixed Sof: H1(0.5)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.500000 1.21894(14) 0.000000 0.0391(2) Uani 1 2 d S T P . .
Rb2 Rb 0.33445(3) 0.81763(10) 0.41719(14) 0.03867(18) Uani 1 1 d . . . . .
Se1 Se 0.500000 0.73177(11) 0.000000 0.0262(2) Uani 1 2 d S T P . .
Se2 Se 0.33262(3) 0.30804(7) 0.30168(10) 0.02788(16) Uani 1 1 d . . . . .
O1 O 0.4710(2) 0.5971(7) -0.2848(9) 0.0371(10) Uani 1 1 d D . . . .
O2 O 0.3674(2) 0.4454(7) 0.0815(10) 0.0438(11) Uani 1 1 d D . . . .
O3 O 0.4364(2) 0.8480(5) 0.0536(11) 0.0438(12) Uani 1 1 d . . . . .
O4 O 0.3064(2) 0.4412(7) 0.5291(9) 0.0428(11) Uani 1 1 d . . . . .
O5 O 0.2706(3) 0.2018(8) 0.1010(11) 0.0570(14) Uani 1 1 d . . . . .
O6 O 0.3953(3) 0.1851(7) 0.4651(12) 0.0521(12) Uani 1 1 d . . . . .
H1 H 0.491(5) 0.622(17) -0.46(2) 0.05(4) Uiso 0.5 1 d D . P . .
H2 H 0.339(3) 0.465(13) -0.123(8) 0.06(2) Uiso 1 1 d 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 Se1 3.9010(12) 1_565 ?
Rb1 Se2 3.9506(6) 2_665 ?
Rb1 O1 3.164(5) 2_665 ?
Rb1 O1 3.164(5) 1_565 ?
Rb1 O2 3.247(5) 2_665 ?
Rb1 O2 3.247(5) 1_565 ?
Rb1 O3 3.126(4) . ?
Rb1 O3 3.126(4) 2_655 ?
Rb1 O6 2.876(5) 2_666 ?
Rb1 O6 2.876(5) 1_564 ?
Rb1 O6 3.323(6) 1_565 ?
Rb1 O6 3.323(6) 2_665 ?
Rb2 Se2 3.7676(10) 1_565 ?
Rb2 Se2 3.8354(8) 4_556 ?
Rb2 O1 3.236(5) 1_556 ?
Rb2 O2 3.364(5) . ?
Rb2 O3 2.920(4) . ?
Rb2 O3 3.197(5) 1_556 ?
Rb2 O4 2.985(5) . ?
Rb2 O4 3.023(5) 4_556 ?
Rb2 O5 3.388(6) 1_565 ?
Rb2 O5 2.950(5) 4 ?
Rb2 O5 3.493(6) 4_556 ?
Rb2 O6 3.036(5) 1_565 ?
Se1 Se1 0.0000(17) 2_655 ?
Se1 O1 1.669(5) . ?
Se1 O1 1.669(5) 2_655 ?
Se1 O3 1.610(4) . ?
Se1 O3 1.610(4) 2_655 ?
Se2 O2 1.709(4) . ?
Se2 O4 1.629(4) . ?
Se2 O5 1.593(5) . ?
Se2 O6 1.610(5) . ?
O1 H1 1.02(3) . ?
O2 H2 1.00(3) . ?

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 Rb1 Se2 80.121(19) 1_565 2_665 ?
O1 Rb1 Se1 24.61(8) 1_565 1_565 ?
O1 Rb1 Se1 24.61(8) 2_665 1_565 ?
O1 Rb1 Se2 84.27(8) 2_665 2_665 ?
O1 Rb1 Se2 77.75(8) 1_565 2_665 ?
O1 Rb1 O1 49.22(16) 2_665 1_565 ?
O1 Rb1 O2 59.16(12) 2_665 2_665 ?
O1 Rb1 O2 63.14(12) 2_665 1_565 ?
O1 Rb1 O2 63.14(12) 1_565 2_665 ?
O1 Rb1 O2 59.16(12) 1_565 1_565 ?
O1 Rb1 O6 83.33(12) 2_665 1_565 ?
O1 Rb1 O6 104.90(12) 2_665 2_665 ?
O1 Rb1 O6 83.33(12) 1_565 2_665 ?
O1 Rb1 O6 104.90(12) 1_565 1_565 ?
O2 Rb1 Se1 57.97(9) 1_565 1_565 ?
O2 Rb1 Se1 57.97(9) 2_665 1_565 ?
O2 Rb1 Se2 136.34(9) 1_565 2_665 ?
O2 Rb1 Se2 25.12(8) 2_665 2_665 ?
O2 Rb1 O2 115.94(17) 2_665 1_565 ?
O2 Rb1 O6 139.52(12) 2_665 1_565 ?
O2 Rb1 O6 47.28(11) 1_565 1_565 ?
O2 Rb1 O6 47.28(11) 2_665 2_665 ?
O2 Rb1 O6 139.52(12) 1_565 2_665 ?
O3 Rb1 Se1 154.51(7) 2_655 1_565 ?
O3 Rb1 Se1 154.51(7) . 1_565 ?
O3 Rb1 Se2 74.78(7) 2_655 2_665 ?
O3 Rb1 Se2 124.90(8) . 2_665 ?
O3 Rb1 O1 145.87(12) 2_655 1_565 ?
O3 Rb1 O1 144.45(12) . 1_565 ?
O3 Rb1 O1 144.45(12) 2_655 2_665 ?
O3 Rb1 O1 145.87(12) . 2_665 ?
O3 Rb1 O2 147.48(12) . 2_665 ?
O3 Rb1 O2 96.57(11) 2_655 2_665 ?
O3 Rb1 O2 147.48(12) 2_655 1_565 ?
O3 Rb1 O2 96.57(11) . 1_565 ?
O3 Rb1 O3 50.98(14) . 2_655 ?
O3 Rb1 O6 63.55(12) . 1_565 ?
O3 Rb1 O6 107.78(12) . 2_665 ?
O3 Rb1 O6 63.55(12) 2_655 2_665 ?
O3 Rb1 O6 107.78(12) 2_655 1_565 ?
O6 Rb1 Se1 94.45(9) 1_565 1_565 ?
O6 Rb1 Se1 95.14(10) 2_666 1_565 ?
O6 Rb1 Se1 95.14(10) 1_564 1_565 ?
O6 Rb1 Se1 94.45(9) 2_665 1_565 ?
O6 Rb1 Se2 160.53(8) 1_565 2_665 ?
O6 Rb1 Se2 79.08(11) 2_666 2_665 ?
O6 Rb1 Se2 23.62(8) 2_665 2_665 ?
O6 Rb1 Se2 102.72(12) 1_564 2_665 ?
O6 Rb1 O1 72.03(13) 1_564 1_565 ?
O6 Rb1 O1 118.13(14) 1_564 2_665 ?
O6 Rb1 O1 118.13(14) 2_666 1_565 ?
O6 Rb1 O1 72.03(13) 2_666 2_665 ?
O6 Rb1 O2 72.11(13) 1_564 1_565 ?
O6 Rb1 O2 113.72(14) 1_564 2_665 ?
O6 Rb1 O2 72.11(13) 2_666 2_665 ?
O6 Rb1 O2 113.72(14) 2_666 1_565 ?
O6 Rb1 O3 75.96(14) 1_564 . ?
O6 Rb1 O3 75.96(14) 2_666 2_655 ?
O6 Rb1 O3 94.64(14) 2_666 . ?
O6 Rb1 O3 94.64(14) 1_564 2_655 ?
O6 Rb1 O6 96.35(14) 1_564 1_565 ?
O6 Rb1 O6 82.84(14) 1_564 2_665 ?
O6 Rb1 O6 82.84(14) 2_666 1_565 ?
O6 Rb1 O6 96.35(14) 2_666 2_665 ?
O6 Rb1 O6 169.7(2) 1_564 2_666 ?
O6 Rb1 O6 171.10(18) 2_665 1_565 ?
Se2 Rb2 Se2 94.88(2) 1_565 4_556 ?
O1 Rb2 Se2 123.88(8) 1_556 4_556 ?
O1 Rb2 Se2 123.69(9) 1_556 1_565 ?
O1 Rb2 O2 61.90(11) 1_556 . ?
O1 Rb2 O5 146.28(12) 1_556 1_565 ?
O1 Rb2 O5 99.43(11) 1_556 4_556 ?
O2 Rb2 Se2 114.42(8) . 4_556 ?
O2 Rb2 Se2 139.89(8) . 1_565 ?
O2 Rb2 O5 106.75(13) . 4_556 ?
O2 Rb2 O5 128.28(12) . 1_565 ?
O3 Rb2 Se2 92.50(8) 1_556 1_565 ?
O3 Rb2 Se2 96.42(7) 1_556 4_556 ?
O3 Rb2 Se2 164.63(10) . 4_556 ?
O3 Rb2 Se2 79.99(8) . 1_565 ?
O3 Rb2 O1 70.10(11) . 1_556 ?
O3 Rb2 O1 48.74(10) 1_556 1_556 ?
O3 Rb2 O2 109.71(11) 1_556 . ?
O3 Rb2 O2 64.45(11) . . ?
O3 Rb2 O3 98.26(13) . 1_556 ?
O3 Rb2 O4 110.92(11) . . ?
O3 Rb2 O4 143.14(12) . 4_556 ?
O3 Rb2 O5 85.74(13) . 1_565 ?
O3 Rb2 O5 90.84(15) . 4 ?
O3 Rb2 O5 77.22(11) 1_556 4_556 ?
O3 Rb2 O5 168.45(13) . 4_556 ?
O3 Rb2 O5 115.95(12) 1_556 1_565 ?
O3 Rb2 O6 69.60(13) . 1_565 ?
O4 Rb2 Se2 23.92(9) 4_556 4_556 ?
O4 Rb2 Se2 168.01(9) . 1_565 ?
O4 Rb2 Se2 73.29(8) . 4_556 ?
O4 Rb2 Se2 73.96(10) 4_556 1_565 ?
O4 Rb2 O1 66.49(13) . 1_556 ?
O4 Rb2 O1 146.67(11) 4_556 1_556 ?
O4 Rb2 O2 125.40(12) 4_556 . ?
O4 Rb2 O2 48.38(11) . . ?
O4 Rb2 O3 90.85(12) . 1_556 ?
O4 Rb2 O3 108.36(11) 4_556 1_556 ?
O4 Rb2 O4 94.06(10) . 4_556 ?
O4 Rb2 O5 146.66(12) . 1_565 ?
O4 Rb2 O5 47.71(12) 4_556 4_556 ?
O4 Rb2 O5 60.01(13) 4_556 1_565 ?
O4 Rb2 O5 59.01(12) . 4_556 ?
O4 Rb2 O6 94.10(14) 4_556 1_565 ?
O4 Rb2 O6 163.31(13) . 1_565 ?
O5 Rb2 Se2 83.77(10) 1_565 4_556 ?
O5 Rb2 Se2 25.01(8) 1_565 1_565 ?
O5 Rb2 Se2 101.39(12) 4 1_565 ?
O5 Rb2 Se2 75.88(12) 4 4_556 ?
O5 Rb2 Se2 24.54(8) 4_556 4_556 ?
O5 Rb2 Se2 110.61(10) 4_556 1_565 ?
O5 Rb2 O1 124.86(14) 4 1_556 ?
O5 Rb2 O2 63.18(13) 4 . ?
O5 Rb2 O3 164.56(15) 4 1_556 ?
O5 Rb2 O4 74.20(15) 4 . ?
O5 Rb2 O4 69.75(13) 4 4_556 ?
O5 Rb2 O5 91.45(17) 4 4_556 ?
O5 Rb2 O5 76.98(8) 4 1_565 ?
O5 Rb2 O5 105.81(12) 1_565 4_556 ?
O5 Rb2 O6 122.36(16) 4 1_565 ?
O6 Rb2 Se2 24.49(9) 1_565 1_565 ?
O6 Rb2 Se2 110.86(11) 1_565 4_556 ?
O6 Rb2 O1 99.26(12) 1_565 1_556 ?
O6 Rb2 O2 133.88(13) 1_565 . ?
O6 Rb2 O3 72.76(12) 1_565 1_556 ?
O6 Rb2 O5 118.18(15) 1_565 4_556 ?
O6 Rb2 O5 48.96(13) 1_565 1_565 ?
Rb2 Se1 Rb1 99.82(2) 1_554 1_545 ?
Rb2 Se1 Rb1 99.82(2) 2_656 1_545 ?
Rb2 Se1 Rb2 160.36(4) 2_656 1_554 ?
Se1 Se1 Rb1 0(10) 2_655 1_545 ?
Se1 Se1 Rb2 0(10) 2_655 1_554 ?
Se1 Se1 Rb2 0(10) 2_655 2_656 ?
Se1 Se1 O1 0(10) 2_655 . ?
Se1 Se1 O1 0(10) 2_655 2_655 ?
Se1 Se1 O3 0(10) 2_655 . ?
Se1 Se1 O3 0(10) 2_655 2_655 ?
O1 Se1 Rb1 52.15(17) 2_655 1_545 ?
O1 Se1 Rb1 52.15(17) . 1_545 ?
O1 Se1 Rb2 56.87(17) . 1_554 ?
O1 Se1 Rb2 139.10(17) 2_655 1_554 ?
O1 Se1 Rb2 139.10(17) . 2_656 ?
O1 Se1 Rb2 56.87(17) 2_655 2_656 ?
O1 Se1 O1 104.3(3) . 2_655 ?
O3 Se1 Rb1 123.30(16) 2_655 1_545 ?
O3 Se1 Rb1 123.30(16) . 1_545 ?
O3 Se1 Rb2 112.57(19) 2_655 1_554 ?
O3 Se1 Rb2 112.57(19) . 2_656 ?
O3 Se1 Rb2 55.17(19) 2_655 2_656 ?
O3 Se1 Rb2 55.17(19) . 1_554 ?
O3 Se1 O1 111.3(2) . 2_655 ?
O3 Se1 O1 108.1(2) 2_655 2_655 ?
O3 Se1 O1 108.1(2) . . ?
O3 Se1 O1 111.3(2) 2_655 . ?
O3 Se1 O3 113.4(3) . 2_655 ?
Rb2 Se2 Rb1 84.14(2) 1_545 1_545 ?
Rb2 Se2 Rb1 171.14(3) 4_546 1_545 ?
Rb2 Se2 Rb2 87.282(17) 1_545 4_546 ?
O2 Se2 Rb1 53.76(18) . 1_545 ?
O2 Se2 Rb2 134.21(18) . 1_545 ?
O2 Se2 Rb2 133.42(18) . 4_546 ?
O4 Se2 Rb1 138.81(18) . 1_545 ?
O4 Se2 Rb2 121.23(17) . 1_545 ?
O4 Se2 Rb2 48.81(18) . 4_546 ?
O4 Se2 O2 103.6(2) . . ?
O5 Se2 Rb1 108.3(2) . 1_545 ?
O5 Se2 Rb2 65.6(2) . 4_546 ?
O5 Se2 Rb2 64.0(2) . 1_545 ?
O5 Se2 O2 109.1(2) . . ?
O5 Se2 O4 111.9(3) . . ?
O5 Se2 O6 113.7(3) . . ?
O6 Se2 Rb1 55.8(2) . 1_545 ?
O6 Se2 Rb2 119.6(2) . 4_546 ?
O6 Se2 Rb2 51.39(19) . 1_545 ?
O6 Se2 O2 105.1(3) . . ?
O6 Se2 O4 112.6(2) . . ?
Rb1 O1 Rb2 135.09(15) 1_545 1_554 ?
Rb1 O1 H1 116(6) 1_545 . ?
Rb2 O1 H1 90(5) 1_554 . ?
Se1 O1 Rb1 103.2(2) 2_655 1_545 ?
Se1 O1 Rb1 103.2(2) . 1_545 ?
Se1 O1 Rb2 97.5(2) 2_655 1_554 ?
Se1 O1 Rb2 97.5(2) . 1_554 ?
Se1 O1 Se1 0.00(5) 2_655 . ?
Se1 O1 H1 113(9) 2_655 . ?
Se1 O1 H1 113(9) . . ?
Rb1 O2 Rb2 138.35(15) 1_545 . ?
Rb1 O2 H2 106(4) 1_545 . ?
Rb2 O2 H2 101(5) . . ?
Se2 O2 Rb1 101.1(2) . 1_545 ?
Se2 O2 Rb2 95.34(19) . . ?
Se2 O2 H2 116(5) . . ?
Rb1 O3 Rb2 100.29(13) . 1_554 ?
Rb2 O3 Rb1 117.60(14) . . ?
Rb2 O3 Rb2 98.26(13) . 1_554 ?
Se1 O3 Rb1 97.82(18) 2_655 . ?
Se1 O3 Rb1 97.82(18) . . ?
Se1 O3 Rb2 100.4(2) 2_655 1_554 ?
Se1 O3 Rb2 135.9(2) . . ?
Se1 O3 Rb2 135.9(2) 2_655 . ?
Se1 O3 Rb2 100.4(2) . 1_554 ?
Se1 O3 Se1 0.00(5) 2_655 . ?
Rb2 O4 Rb2 121.73(16) . 4_546 ?
Se2 O4 Rb2 107.3(2) . 4_546 ?
Se2 O4 Rb2 112.6(2) . . ?
Rb2 O5 Rb2 137.78(19) 4_545 1_545 ?
Rb2 O5 Rb2 91.45(17) 4_545 4_546 ?
Rb2 O5 Rb2 99.37(13) 1_545 4_546 ?
Se2 O5 Rb2 89.8(2) . 4_546 ?
Se2 O5 Rb2 91.0(2) . 1_545 ?
Se2 O5 Rb2 130.0(3) . 4_545 ?
Rb1 O6 Rb1 96.35(14) 1_546 1_545 ?
Rb1 O6 Rb2 110.36(16) 1_546 1_545 ?
Rb2 O6 Rb1 108.81(16) 1_545 1_545 ?
Se2 O6 Rb1 133.9(3) . 1_546 ?
Se2 O6 Rb1 100.6(2) . 1_545 ?
Se2 O6 Rb2 104.1(2) . 1_545 ?

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 Se1 O1 Rb2 139.9(2) 1_545 . . 1_554 ?
Rb1 Se1 O1 Se1 0(100) 1_545 . . 2_655 ?
Rb1 Se1 O3 Rb1 180.0 1_545 . . . ?
Rb1 Se1 O3 Rb2 35.6(4) 1_545 . . . ?
Rb1 Se1 O3 Rb2 -77.96(17) 1_545 . . 1_554 ?
Rb1 Se1 O3 Se1 0(100) 1_545 . . 2_655 ?
Rb1 Se2 O2 Rb2 -141.55(19) 1_545 . . . ?
Rb1 Se2 O4 Rb2 49.8(3) 1_545 . . . ?
Rb1 Se2 O4 Rb2 -173.59(6) 1_545 . . 4_546 ?
Rb1 Se2 O5 Rb2 -95.2(4) 1_545 . . 4_545 ?
Rb1 Se2 O5 Rb2 173.06(4) 1_545 . . 4_546 ?
Rb1 Se2 O5 Rb2 73.69(13) 1_545 . . 1_545 ?
Rb1 Se2 O6 Rb1 109.7(4) 1_545 . . 1_546 ?
Rb1 Se2 O6 Rb2 -112.7(2) 1_545 . . 1_545 ?
Rb2 Se1 O1 Rb1 55.4(3) 2_656 . . 1_545 ?
Rb2 Se1 O1 Rb1 -139.9(2) 1_554 . . 1_545 ?
Rb2 Se1 O1 Rb2 -164.65(10) 2_656 . . 1_554 ?
Rb2 Se1 O1 Se1 0(100) 2_656 . . 2_655 ?
Rb2 Se1 O1 Se1 0(100) 1_554 . . 2_655 ?
Rb2 Se1 O3 Rb1 -102.04(17) 1_554 . . . ?
Rb2 Se1 O3 Rb1 60.39(16) 2_656 . . . ?
Rb2 Se1 O3 Rb2 113.5(4) 1_554 . . . ?
Rb2 Se1 O3 Rb2 -84.0(3) 2_656 . . . ?
Rb2 Se1 O3 Rb2 162.43(6) 2_656 . . 1_554 ?
Rb2 Se1 O3 Se1 0(100) 1_554 . . 2_655 ?
Rb2 Se1 O3 Se1 0(100) 2_656 . . 2_655 ?
Rb2 Se2 O2 Rb1 -173.22(5) 4_546 . . 1_545 ?
Rb2 Se2 O2 Rb1 -27.2(3) 1_545 . . 1_545 ?
Rb2 Se2 O2 Rb2 45.2(2) 4_546 . . . ?
Rb2 Se2 O2 Rb2 -168.72(7) 1_545 . . . ?
Rb2 Se2 O4 Rb2 170.59(7) 1_545 . . . ?
Rb2 Se2 O4 Rb2 -52.8(2) 1_545 . . 4_546 ?
Rb2 Se2 O4 Rb2 -136.6(3) 4_546 . . . ?
Rb2 Se2 O5 Rb2 91.8(4) 4_546 . . 4_545 ?
Rb2 Se2 O5 Rb2 -168.9(5) 1_545 . . 4_545 ?
Rb2 Se2 O5 Rb2 -99.37(14) 4_546 . . 1_545 ?
Rb2 Se2 O5 Rb2 99.37(14) 1_545 . . 4_546 ?
Rb2 Se2 O6 Rb1 171.08(4) 4_546 . . 1_545 ?
Rb2 Se2 O6 Rb1 -79.3(4) 4_546 . . 1_546 ?
Rb2 Se2 O6 Rb1 112.7(2) 1_545 . . 1_545 ?
Rb2 Se2 O6 Rb1 -137.7(5) 1_545 . . 1_546 ?
Rb2 Se2 O6 Rb2 58.4(2) 4_546 . . 1_545 ?
Se1 Se1 O1 Rb1 0.00(8) 2_655 . . 1_545 ?
Se1 Se1 O1 Rb2 0.00(8) 2_655 . . 1_554 ?
Se1 Se1 O3 Rb1 0.000(15) 2_655 . . . ?
Se1 Se1 O3 Rb2 0.00(3) 2_655 . . . ?
Se1 Se1 O3 Rb2 0.000(10) 2_655 . . 1_554 ?
O1 Se1 O1 Rb1 0.000(0) 2_655 . . 1_545 ?
O1 Se1 O1 Rb2 139.9(2) 2_655 . . 1_554 ?
O1 Se1 O1 Se1 0(100) 2_655 . . 2_655 ?
O1 Se1 O3 Rb1 -123.89(19) . . . . ?
O1 Se1 O3 Rb1 122.1(2) 2_655 . . . ?
O1 Se1 O3 Rb2 -135.8(2) 2_655 . . 1_554 ?
O1 Se1 O3 Rb2 -21.9(2) . . . 1_554 ?
O1 Se1 O3 Rb2 -22.3(4) 2_655 . . . ?
O1 Se1 O3 Rb2 91.7(4) . . . . ?
O1 Se1 O3 Se1 0(100) . . . 2_655 ?
O1 Se1 O3 Se1 0(100) 2_655 . . 2_655 ?
O2 Se2 O4 Rb2 136.7(2) . . . 4_546 ?
O2 Se2 O4 Rb2 0.1(3) . . . . ?
O2 Se2 O5 Rb2 -129.9(2) . . . 4_546 ?
O2 Se2 O5 Rb2 -38.2(5) . . . 4_545 ?
O2 Se2 O5 Rb2 130.7(2) . . . 1_545 ?
O2 Se2 O6 Rb1 87.2(4) . . . 1_546 ?
O2 Se2 O6 Rb1 -22.5(2) . . . 1_545 ?
O2 Se2 O6 Rb2 -135.1(2) . . . 1_545 ?
O3 Se1 O1 Rb1 -118.5(2) . . . 1_545 ?
O3 Se1 O1 Rb1 116.3(2) 2_655 . . 1_545 ?
O3 Se1 O1 Rb2 21.4(2) . . . 1_554 ?
O3 Se1 O1 Rb2 -103.8(2) 2_655 . . 1_554 ?
O3 Se1 O1 Se1 0(100) . . . 2_655 ?
O3 Se1 O1 Se1 0(100) 2_655 . . 2_655 ?
O3 Se1 O3 Rb1 0.0 2_655 . . . ?
O3 Se1 O3 Rb2 102.04(17) 2_655 . . 1_554 ?
O3 Se1 O3 Rb2 -144.4(4) 2_655 . . . ?
O3 Se1 O3 Se1 0(98) 2_655 . . 2_655 ?
O4 Se2 O2 Rb1 141.47(19) . . . 1_545 ?
O4 Se2 O2 Rb2 -0.1(2) . . . . ?
O4 Se2 O5 Rb2 -115.2(2) . . . 1_545 ?
O4 Se2 O5 Rb2 -15.8(2) . . . 4_546 ?
O4 Se2 O5 Rb2 76.0(4) . . . 4_545 ?
O4 Se2 O6 Rb1 -134.6(2) . . . 1_545 ?
O4 Se2 O6 Rb1 -25.0(5) . . . 1_546 ?
O4 Se2 O6 Rb2 112.7(2) . . . 1_545 ?
O5 Se2 O2 Rb1 -99.1(3) . . . 1_545 ?
O5 Se2 O2 Rb2 119.3(3) . . . . ?
O5 Se2 O4 Rb2 19.3(3) . . . 4_546 ?
O5 Se2 O4 Rb2 -117.3(3) . . . . ?
O5 Se2 O6 Rb1 96.7(3) . . . 1_545 ?
O5 Se2 O6 Rb1 -153.6(4) . . . 1_546 ?
O5 Se2 O6 Rb2 -16.0(3) . . . 1_545 ?
O6 Se2 O2 Rb1 23.1(2) . . . 1_545 ?
O6 Se2 O2 Rb2 -118.5(2) . . . . ?
O6 Se2 O4 Rb2 -110.3(2) . . . 4_546 ?
O6 Se2 O4 Rb2 113.1(3) . . . . ?
O6 Se2 O5 Rb2 -155.0(4) . . . 4_545 ?
O6 Se2 O5 Rb2 113.2(2) . . . 4_546 ?
O6 Se2 O5 Rb2 13.8(3) . . . 1_545 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_a_360k_tidy
_database_code_depnum_ccdc_archive 'CCDC 2424194'
loop_
_audit_author_name
_audit_author_address
'Yang Chi'
;Qufu Normal University
China
;
_audit_update_record             
;
2025-02-16 deposited with the CCDC.	2026-01-30 downloaded from the CCDC.
;
_audit_creation_date             2025-02-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'H O4 Rb Se'
_chemical_formula_sum            'H O4 Rb Se'
_chemical_formula_weight         229.44
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
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'

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

_cell_length_a                   4.6245(2)
_cell_length_b                   7.5938(4)
_cell_length_c                   10.6496(7)
_cell_angle_alpha                69.145(2)
_cell_angle_beta                 78.003(2)
_cell_angle_gamma                89.743(2)
_cell_volume                     340.86(3)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    5362
_cell_measurement_temperature    360.00
_cell_measurement_theta_max      29.61
_cell_measurement_theta_min      2.88
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.782
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.353
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             312
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.872
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13578
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.779
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.317
_diffrn_reflns_theta_min         2.098
_diffrn_ambient_temperature      360.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.788
_reflns_Friedel_fraction_full    0.968
_reflns_Friedel_fraction_max     0.687
_reflns_number_gt                3227
_reflns_number_total             3763
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.795
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.163
_refine_ls_abs_structure_details 
;
 Flack x determined using 1358 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.015(13)
_refine_ls_extinction_coef       0.017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         3763
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0330
_refine_ls_restrained_S_all      0.989
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0422P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0743
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O1A-H1A
 1.03 with sigma of 0.02
 H2A-O2A
 1.018 with sigma of 0.02
 O2B-H2B
 1.018 with sigma of 0.02
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.5009(2) 2.06783(14) 0.53268(10) 0.0357(2) Uani 1 1 d . . . . .
Rb2A Rb 0.0840(2) 1.83243(12) 0.20181(9) 0.0355(2) Uani 1 1 d . . . . .
Rb2B Rb 0.9199(2) 1.50061(13) 0.86390(9) 0.0356(2) Uani 1 1 d . . . . .
Se1 Se 0.49782(19) 1.58000(11) 0.53380(8) 0.02396(18) Uani 1 1 d . . . . .
Se2A Se 0.20117(14) 1.32434(10) 0.19811(8) 0.0259(2) Uani 1 1 d . . . . .
Se2B Se 0.80407(14) 0.98943(10) 0.86756(8) 0.0255(2) Uani 1 1 d . . . . .
O1A O 0.7858(12) 1.4743(9) 0.4741(6) 0.0343(13) Uani 1 1 d D . . . .
O1B O 0.2148(12) 1.4183(8) 0.5918(6) 0.0341(13) Uani 1 1 d . . . . .
O2A O 0.4205(14) 1.4265(10) 0.2680(7) 0.0376(14) Uani 1 1 d D . . . .
O2B O 0.5822(14) 1.1620(9) 0.7975(7) 0.0394(14) Uani 1 1 d D . . . .
O3A O 0.4501(15) 1.7600(8) 0.4050(6) 0.0413(16) Uani 1 1 d . . . . .
O3B O 0.5566(16) 1.6338(9) 0.6592(6) 0.0419(16) Uani 1 1 d . . . . .
O4A O -0.0266(13) 1.4842(9) 0.1444(7) 0.0390(14) Uani 1 1 d . . . . .
O4B O 1.0308(13) 1.0950(9) 0.9210(7) 0.0393(15) Uani 1 1 d . . . . .
O5A O 0.4042(16) 1.2790(11) 0.0739(8) 0.0511(18) Uani 1 1 d . . . . .
O5B O 0.6039(16) 0.8214(10) 0.9924(7) 0.0510(18) Uani 1 1 d . . . . .
O6A O 0.0366(16) 1.1396(9) 0.3233(7) 0.0456(16) Uani 1 1 d . . . . .
O6B O 0.9684(16) 0.9291(10) 0.7415(7) 0.0476(17) Uani 1 1 d . . . . .
H1A H 0.951(18) 1.462(16) 0.527(10) 0.05(3) Uiso 1 1 d D . . . .
H2A H 0.620(10) 1.476(12) 0.207(8) 0.03(3) Uiso 1 1 d D . . . .
H2B H 0.370(11) 1.158(17) 0.849(11) 0.07(4) Uiso 1 1 d 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 Se1 3.7003(11) . ?
Rb1 Se1 3.8935(11) 1_565 ?
Rb1 O1A 3.159(6) 1_565 ?
Rb1 O1B 3.169(6) 1_565 ?
Rb1 O2A 3.234(7) 1_565 ?
Rb1 O2B 3.238(7) 1_565 ?
Rb1 O3A 3.125(7) . ?
Rb1 O3B 3.118(7) . ?
Rb1 O6A 2.873(7) 1_665 ?
Rb1 O6A 3.315(8) 1_565 ?
Rb1 O6B 2.863(7) 1_465 ?
Rb1 O6B 3.323(8) 1_565 ?
Rb2A Se2A 3.7621(11) 1_565 ?
Rb2A Se2B 3.8272(12) 1_464 ?
Rb2A O1A 3.235(6) 1_455 ?
Rb2A O2A 3.360(7) . ?
Rb2A O3A 3.179(7) 1_455 ?
Rb2A O3A 2.919(6) . ?
Rb2A O4A 2.987(6) . ?
Rb2A O4B 3.006(7) 1_464 ?
Rb2A O5A 3.386(8) 1_565 ?
Rb2A O5B 2.944(7) 1_564 ?
Rb2A O5B 3.479(8) 1_464 ?
Rb2A O6A 3.031(7) 1_565 ?
Rb2B Se1 3.8033(14) 1_655 ?
Rb2B Se2B 3.7608(11) 1_565 ?
Rb2B O1B 3.208(6) 1_655 ?
Rb2B O2B 3.368(7) . ?
Rb2B O3B 2.922(6) . ?
Rb2B O3B 3.199(7) 1_655 ?
Rb2B O4A 3.007(7) 1_656 ?
Rb2B O4B 2.983(6) . ?
Rb2B O5A 3.496(9) 1_656 ?
Rb2B O5A 2.943(7) 1_556 ?
Rb2B O5B 3.384(7) 1_565 ?
Rb2B O6B 3.034(7) 1_565 ?
Se1 O1A 1.680(6) . ?
Se1 O1B 1.656(6) . ?
Se1 O3A 1.608(6) . ?
Se1 O3B 1.601(6) . ?
Se2A O2A 1.708(6) . ?
Se2A O4A 1.629(6) . ?
Se2A O5A 1.598(6) . ?
Se2A O6A 1.607(6) . ?
Se2B O2B 1.714(6) . ?
Se2B O4B 1.627(6) . ?
Se2B O5B 1.595(7) . ?
Se2B O6B 1.612(6) . ?
O1A H1A 1.03(3) . ?
O2A H2A 1.00(3) . ?
O2B H2B 1.01(3) . ?

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 Rb1 Se1 179.52(3) . 1_565 ?
O1A Rb1 Se1 155.57(11) 1_565 . ?
O1A Rb1 Se1 24.89(11) 1_565 1_565 ?
O1A Rb1 O1B 49.36(15) 1_565 1_565 ?
O1A Rb1 O2A 59.01(15) 1_565 1_565 ?
O1A Rb1 O2B 63.16(16) 1_565 1_565 ?
O1A Rb1 O6A 104.87(16) 1_565 1_565 ?
O1A Rb1 O6B 83.20(16) 1_565 1_565 ?
O1B Rb1 Se1 24.47(10) 1_565 1_565 ?
O1B Rb1 Se1 155.07(11) 1_565 . ?
O1B Rb1 O2A 63.26(15) 1_565 1_565 ?
O1B Rb1 O2B 58.99(15) 1_565 1_565 ?
O1B Rb1 O6A 83.44(16) 1_565 1_565 ?
O1B Rb1 O6B 104.80(15) 1_565 1_565 ?
O2A Rb1 Se1 57.99(10) 1_565 1_565 ?
O2A Rb1 Se1 122.19(11) 1_565 . ?
O2A Rb1 O2B 115.80(15) 1_565 1_565 ?
O2A Rb1 O6A 47.39(15) 1_565 1_565 ?
O2A Rb1 O6B 139.22(17) 1_565 1_565 ?
O2B Rb1 Se1 122.01(11) 1_565 . ?
O2B Rb1 Se1 57.81(11) 1_565 1_565 ?
O2B Rb1 O6A 139.51(17) 1_565 1_565 ?
O2B Rb1 O6B 47.37(16) 1_565 1_565 ?
O3A Rb1 Se1 154.65(11) . 1_565 ?
O3A Rb1 Se1 25.51(10) . . ?
O3A Rb1 O1A 144.24(17) . 1_565 ?
O3A Rb1 O1B 146.12(17) . 1_565 ?
O3A Rb1 O2A 96.69(15) . 1_565 ?
O3A Rb1 O2B 147.50(16) . 1_565 ?
O3A Rb1 O6A 63.70(16) . 1_565 ?
O3A Rb1 O6B 107.67(16) . 1_565 ?
O3B Rb1 Se1 154.48(11) . 1_565 ?
O3B Rb1 Se1 25.37(10) . . ?
O3B Rb1 O1A 145.77(17) . 1_565 ?
O3B Rb1 O1B 144.47(17) . 1_565 ?
O3B Rb1 O2A 147.48(15) . 1_565 ?
O3B Rb1 O2B 96.69(15) . 1_565 ?
O3B Rb1 O3A 50.87(13) . . ?
O3B Rb1 O6A 107.82(16) . 1_565 ?
O3B Rb1 O6B 63.63(16) . 1_565 ?
O6A Rb1 Se1 85.50(13) 1_665 . ?
O6A Rb1 Se1 94.44(12) 1_565 1_565 ?
O6A Rb1 Se1 85.49(11) 1_565 . ?
O6A Rb1 Se1 94.98(13) 1_665 1_565 ?
O6A Rb1 O1A 71.56(17) 1_665 1_565 ?
O6A Rb1 O1B 117.88(17) 1_665 1_565 ?
O6A Rb1 O2A 71.89(18) 1_665 1_565 ?
O6A Rb1 O2B 113.4(2) 1_665 1_565 ?
O6A Rb1 O3A 76.15(19) 1_665 . ?
O6A Rb1 O3B 94.77(19) 1_665 . ?
O6A Rb1 O6A 96.44(19) 1_665 1_565 ?
O6A Rb1 O6B 171.18(16) 1_565 1_565 ?
O6A Rb1 O6B 82.61(19) 1_665 1_565 ?
O6B Rb1 Se1 94.38(12) 1_565 1_565 ?
O6B Rb1 Se1 85.70(11) 1_565 . ?
O6B Rb1 Se1 84.29(13) 1_465 . ?
O6B Rb1 Se1 95.23(13) 1_465 1_565 ?
O6B Rb1 O1A 118.51(17) 1_465 1_565 ?
O6B Rb1 O1B 72.23(17) 1_465 1_565 ?
O6B Rb1 O2A 114.00(19) 1_465 1_565 ?
O6B Rb1 O2B 72.27(18) 1_465 1_565 ?
O6B Rb1 O3A 94.55(19) 1_465 . ?
O6B Rb1 O3B 75.85(19) 1_465 . ?
O6B Rb1 O6A 169.79(18) 1_465 1_665 ?
O6B Rb1 O6A 82.89(19) 1_465 1_565 ?
O6B Rb1 O6B 96.5(2) 1_465 1_565 ?
Se2A Rb2A Se2B 95.05(3) 1_565 1_464 ?
O1A Rb2A Se2A 124.07(10) 1_455 1_565 ?
O1A Rb2A Se2B 123.63(10) 1_455 1_464 ?
O1A Rb2A O2A 61.69(15) 1_455 . ?
O1A Rb2A O5A 146.65(15) 1_455 1_565 ?
O1A Rb2A O5B 99.09(15) 1_455 1_464 ?
O2A Rb2A Se2A 139.65(11) . 1_565 ?
O2A Rb2A Se2B 114.39(10) . 1_464 ?
O2A Rb2A O5A 127.87(18) . 1_565 ?
O2A Rb2A O5B 106.70(15) . 1_464 ?
O3A Rb2A Se2A 79.92(12) . 1_565 ?
O3A Rb2A Se2A 93.00(12) 1_455 1_565 ?
O3A Rb2A Se2B 96.49(11) 1_455 1_464 ?
O3A Rb2A Se2B 164.36(14) . 1_464 ?
O3A Rb2A O1A 48.59(14) 1_455 1_455 ?
O3A Rb2A O1A 70.46(16) . 1_455 ?
O3A Rb2A O2A 64.22(16) . . ?
O3A Rb2A O2A 109.39(16) 1_455 . ?
O3A Rb2A O3A 98.54(18) . 1_455 ?
O3A Rb2A O4A 110.94(17) . . ?
O3A Rb2A O4B 143.04(17) . 1_464 ?
O3A Rb2A O5A 116.63(16) 1_455 1_565 ?
O3A Rb2A O5A 85.45(18) . 1_565 ?
O3A Rb2A O5B 90.3(2) . 1_564 ?
O3A Rb2A O5B 77.12(15) 1_455 1_464 ?
O3A Rb2A O5B 168.37(17) . 1_464 ?
O3A Rb2A O6A 69.72(19) . 1_565 ?
O4A Rb2A Se2A 167.89(13) . 1_565 ?
O4A Rb2A Se2B 73.05(12) . 1_464 ?
O4A Rb2A O1A 66.36(17) . 1_455 ?
O4A Rb2A O2A 48.51(14) . . ?
O4A Rb2A O3A 90.66(17) . 1_455 ?
O4A Rb2A O4B 93.77(18) . 1_464 ?
O4A Rb2A O5A 146.33(17) . 1_565 ?
O4A Rb2A O5B 58.80(16) . 1_464 ?
O4A Rb2A O6A 163.59(19) . 1_565 ?
O4B Rb2A Se2A 74.12(12) 1_464 1_565 ?
O4B Rb2A Se2B 23.89(12) 1_464 1_464 ?
O4B Rb2A O1A 146.45(16) 1_464 1_455 ?
O4B Rb2A O2A 125.35(16) 1_464 . ?
O4B Rb2A O3A 108.55(16) 1_464 1_455 ?
O4B Rb2A O5A 60.25(18) 1_464 1_565 ?
O4B Rb2A O5B 47.77(17) 1_464 1_464 ?
O4B Rb2A O6A 94.18(17) 1_464 1_565 ?
O5A Rb2A Se2A 25.14(11) 1_565 1_565 ?
O5A Rb2A Se2B 83.99(13) 1_565 1_464 ?
O5A Rb2A O5B 106.17(18) 1_565 1_464 ?
O5B Rb2A Se2A 101.03(15) 1_564 1_565 ?
O5B Rb2A Se2A 110.88(12) 1_464 1_565 ?
O5B Rb2A Se2B 76.02(16) 1_564 1_464 ?
O5B Rb2A Se2B 24.63(11) 1_464 1_464 ?
O5B Rb2A O1A 124.72(17) 1_564 1_455 ?
O5B Rb2A O2A 63.25(17) 1_564 . ?
O5B Rb2A O3A 164.6(2) 1_564 1_455 ?
O5B Rb2A O4A 74.31(19) 1_564 . ?
O5B Rb2A O4B 69.78(18) 1_564 1_464 ?
O5B Rb2A O5A 76.48(18) 1_564 1_565 ?
O5B Rb2A O5B 91.7(2) 1_564 1_464 ?
O5B Rb2A O6A 122.0(2) 1_564 1_565 ?
O6A Rb2A Se2A 24.46(12) 1_565 1_565 ?
O6A Rb2A Se2B 110.96(14) 1_565 1_464 ?
O6A Rb2A O1A 99.67(16) 1_565 1_455 ?
O6A Rb2A O2A 133.78(18) 1_565 . ?
O6A Rb2A O3A 73.19(17) 1_565 1_455 ?
O6A Rb2A O5A 49.06(16) 1_565 1_565 ?
O6A Rb2A O5B 118.34(19) 1_565 1_464 ?
Se2B Rb2B Se1 104.21(3) 1_565 1_655 ?
O1B Rb2B Se1 25.56(10) 1_655 1_655 ?
O1B Rb2B Se2B 123.42(11) 1_655 1_565 ?
O1B Rb2B O2B 62.03(15) 1_655 . ?
O1B Rb2B O5A 99.60(15) 1_655 1_656 ?
O1B Rb2B O5B 146.12(16) 1_655 1_565 ?
O2B Rb2B Se1 87.58(12) . 1_655 ?
O2B Rb2B Se2B 139.70(11) . 1_565 ?
O2B Rb2B O5A 107.02(16) . 1_656 ?
O2B Rb2B O5B 128.18(18) . 1_565 ?
O3B Rb2B Se1 24.54(10) 1_655 1_655 ?
O3B Rb2B Se1 79.24(14) . 1_655 ?
O3B Rb2B Se2B 92.20(12) 1_655 1_565 ?
O3B Rb2B Se2B 80.04(12) . 1_565 ?
O3B Rb2B O1B 48.87(14) 1_655 1_655 ?
O3B Rb2B O1B 69.76(16) . 1_655 ?
O3B Rb2B O2B 64.26(16) . . ?
O3B Rb2B O2B 109.99(16) 1_655 . ?
O3B Rb2B O3B 98.04(19) . 1_655 ?
O3B Rb2B O4A 143.21(17) . 1_656 ?
O3B Rb2B O4B 110.92(17) . . ?
O3B Rb2B O5A 91.1(2) . 1_556 ?
O3B Rb2B O5A 77.24(15) 1_655 1_656 ?
O3B Rb2B O5A 168.35(17) . 1_656 ?
O3B Rb2B O5B 115.70(16) 1_655 1_565 ?
O3B Rb2B O5B 85.96(18) . 1_565 ?
O3B Rb2B O6B 69.59(19) . 1_565 ?
O4A Rb2B Se1 131.91(12) 1_656 1_655 ?
O4A Rb2B Se2B 73.88(12) 1_656 1_565 ?
O4A Rb2B O1B 146.92(16) 1_656 1_655 ?
O4A Rb2B O2B 125.57(17) 1_656 . ?
O4A Rb2B O3B 108.31(16) 1_656 1_655 ?
O4A Rb2B O5A 47.81(16) 1_656 1_656 ?
O4A Rb2B O5B 59.80(18) 1_656 1_565 ?
O4A Rb2B O6B 94.08(17) 1_656 1_565 ?
O4B Rb2B Se1 83.48(14) . 1_655 ?
O4B Rb2B Se2B 167.89(13) . 1_565 ?
O4B Rb2B O1B 66.94(17) . 1_655 ?
O4B Rb2B O2B 48.56(15) . . ?
O4B Rb2B O3B 91.32(17) . 1_655 ?
O4B Rb2B O4A 94.02(18) . 1_656 ?
O4B Rb2B O5A 59.06(16) . 1_656 ?
O4B Rb2B O5B 146.37(18) . 1_565 ?
O4B Rb2B O6B 163.38(19) . 1_565 ?
O5A Rb2B Se1 93.08(11) 1_656 1_655 ?
O5A Rb2B Se1 150.14(13) 1_556 1_655 ?
O5A Rb2B Se2B 101.75(15) 1_556 1_565 ?
O5A Rb2B Se2B 110.55(12) 1_656 1_565 ?
O5A Rb2B O1B 124.72(17) 1_556 1_655 ?
O5A Rb2B O2B 62.94(17) 1_556 . ?
O5A Rb2B O3B 164.5(2) 1_556 1_655 ?
O5A Rb2B O4A 69.86(18) 1_556 1_656 ?
O5A Rb2B O4B 73.7(2) 1_556 . ?
O5A Rb2B O5A 91.4(2) 1_556 1_656 ?
O5A Rb2B O5B 77.28(18) 1_556 1_565 ?
O5A Rb2B O6B 122.8(2) 1_556 1_565 ?
O5B Rb2B Se1 129.28(12) 1_565 1_655 ?
O5B Rb2B Se2B 25.09(11) 1_565 1_565 ?
O5B Rb2B O5A 105.69(17) 1_565 1_656 ?
O6B Rb2B Se1 80.31(13) 1_565 1_655 ?
O6B Rb2B Se2B 24.59(12) 1_565 1_565 ?
O6B Rb2B O1B 98.89(16) 1_565 1_655 ?
O6B Rb2B O2B 133.69(18) 1_565 . ?
O6B Rb2B O3B 72.35(17) 1_565 1_655 ?
O6B Rb2B O5A 118.06(19) 1_565 1_656 ?
O6B Rb2B O5B 49.17(16) 1_565 1_565 ?
Rb1 Se1 Rb1 179.52(3) . 1_545 ?
Rb1 Se1 Rb2A 79.71(3) . 1_655 ?
Rb1 Se1 Rb2B 80.60(3) . 1_455 ?
Rb2A Se1 Rb1 99.82(3) 1_655 1_545 ?
Rb2B Se1 Rb1 99.86(3) 1_455 1_545 ?
Rb2B Se1 Rb2A 160.31(4) 1_455 1_655 ?
O1A Se1 Rb1 52.3(2) . 1_545 ?
O1A Se1 Rb1 127.3(2) . . ?
O1A Se1 Rb2A 56.5(2) . 1_655 ?
O1A Se1 Rb2B 139.3(2) . 1_455 ?
O1B Se1 Rb1 128.0(2) . . ?
O1B Se1 Rb1 52.4(2) . 1_545 ?
O1B Se1 Rb2A 139.5(2) . 1_655 ?
O1B Se1 Rb2B 56.7(2) . 1_455 ?
O1B Se1 O1A 104.7(3) . . ?
O3A Se1 Rb1 56.8(2) . . ?
O3A Se1 Rb1 123.0(2) . 1_545 ?
O3A Se1 Rb2A 54.2(3) . 1_655 ?
O3A Se1 Rb2B 113.8(3) . 1_455 ?
O3A Se1 O1A 106.7(3) . . ?
O3A Se1 O1B 112.0(3) . . ?
O3B Se1 Rb1 123.6(2) . 1_545 ?
O3B Se1 Rb1 56.5(2) . . ?
O3B Se1 Rb2A 111.4(3) . 1_655 ?
O3B Se1 Rb2B 56.1(3) . 1_455 ?
O3B Se1 O1A 110.7(3) . . ?
O3B Se1 O1B 108.9(3) . . ?
O3B Se1 O3A 113.3(3) . . ?
Rb2A Se2A Rb1 84.22(3) 1_545 1_545 ?
Rb2A Se2A Rb1 103.62(3) . 1_545 ?
Rb2A Se2A Rb2A 163.95(4) 1_545 . ?
Rb2A Se2A Rb2B 87.11(2) 1_545 1_454 ?
Rb2B Se2A Rb1 171.07(3) 1_454 1_545 ?
Rb2B Se2A Rb2A 85.31(3) 1_454 . ?
O2A Se2A Rb1 53.7(2) . 1_545 ?
O2A Se2A Rb2A 58.9(2) . . ?
O2A Se2A Rb2A 134.3(2) . 1_545 ?
O2A Se2A Rb2B 133.6(2) . 1_454 ?
O4A Se2A Rb1 139.2(2) . 1_545 ?
O4A Se2A Rb2A 45.0(2) . . ?
O4A Se2A Rb2A 120.8(2) . 1_545 ?
O4A Se2A Rb2B 48.4(2) . 1_454 ?
O4A Se2A O2A 103.9(3) . . ?
O5A Se2A Rb1 108.1(3) . 1_545 ?
O5A Se2A Rb2A 64.2(3) . 1_545 ?
O5A Se2A Rb2A 124.5(3) . . ?
O5A Se2A Rb2B 65.9(3) . 1_454 ?
O5A Se2A O2A 109.0(3) . . ?
O5A Se2A O4A 111.8(4) . . ?
O5A Se2A O6A 113.7(4) . . ?
O6A Se2A Rb1 55.9(3) . 1_545 ?
O6A Se2A Rb2A 121.7(2) . . ?
O6A Se2A Rb2A 51.4(2) . 1_545 ?
O6A Se2A Rb2B 119.3(3) . 1_454 ?
O6A Se2A O2A 105.1(4) . . ?
O6A Se2A O4A 112.5(4) . . ?
Rb1 Se2B Rb1 69.63(2) 1_545 1_645 ?
Rb2A Se2B Rb1 110.49(2) 1_646 1_645 ?
Rb2A Se2B Rb1 171.19(3) 1_646 1_545 ?
Rb2A Se2B Rb2B 85.14(3) 1_646 . ?
Rb2B Se2B Rb1 93.99(3) . 1_645 ?
Rb2B Se2B Rb1 103.67(3) . 1_545 ?
Rb2B Se2B Rb1 84.12(3) 1_545 1_545 ?
Rb2B Se2B Rb1 75.57(2) 1_545 1_645 ?
Rb2B Se2B Rb2A 87.40(2) 1_545 1_646 ?
Rb2B Se2B Rb2B 164.14(4) 1_545 . ?
O2B Se2B Rb1 101.5(2) . 1_645 ?
O2B Se2B Rb1 53.5(2) . 1_545 ?
O2B Se2B Rb2A 133.5(2) . 1_646 ?
O2B Se2B Rb2B 59.2(2) . . ?
O2B Se2B Rb2B 133.9(2) . 1_545 ?
O4B Se2B Rb1 85.4(2) . 1_645 ?
O4B Se2B Rb1 139.2(2) . 1_545 ?
O4B Se2B Rb2A 48.5(2) . 1_646 ?
O4B Se2B Rb2B 121.1(2) . 1_545 ?
O4B Se2B Rb2B 44.9(2) . . ?
O4B Se2B O2B 104.1(3) . . ?
O5B Se2B Rb1 108.5(3) . 1_545 ?
O5B Se2B Rb1 139.5(3) . 1_645 ?
O5B Se2B Rb2A 65.4(3) . 1_646 ?
O5B Se2B Rb2B 64.1(3) . 1_545 ?
O5B Se2B Rb2B 124.3(3) . . ?
O5B Se2B O2B 109.1(3) . . ?
O5B Se2B O4B 111.4(4) . . ?
O5B Se2B O6B 114.0(4) . . ?
O6B Se2B Rb1 29.9(3) . 1_645 ?
O6B Se2B Rb1 55.8(3) . 1_545 ?
O6B Se2B Rb2A 119.8(3) . 1_646 ?
O6B Se2B Rb2B 51.6(3) . 1_545 ?
O6B Se2B Rb2B 121.7(3) . . ?
O6B Se2B O2B 104.8(4) . . ?
O6B Se2B O4B 112.7(4) . . ?
Rb1 O1A Rb2A 135.53(19) 1_545 1_655 ?
Rb1 O1A H1A 109(6) 1_545 . ?
Rb2A O1A H1A 98(6) 1_655 . ?
Se1 O1A Rb1 102.8(2) . 1_545 ?
Se1 O1A Rb2A 97.8(3) . 1_655 ?
Se1 O1A H1A 112(7) . . ?
Rb1 O1B Rb2B 135.0(2) 1_545 1_455 ?
Se1 O1B Rb1 103.1(2) . 1_545 ?
Se1 O1B Rb2B 97.8(2) . 1_455 ?
Rb1 O2A Rb2A 138.4(2) 1_545 . ?
Rb1 O2A H2A 108(5) 1_545 . ?
Rb2A O2A H2A 99(5) . . ?
Se2A O2A Rb1 101.1(3) . 1_545 ?
Se2A O2A Rb2A 95.3(3) . . ?
Se2A O2A H2A 113(5) . . ?
Rb1 O2B Rb2B 138.5(2) 1_545 . ?
Rb1 O2B H2B 103(7) 1_545 . ?
Rb2B O2B H2B 102(7) . . ?
Se2B O2B Rb1 101.3(3) . 1_545 ?
Se2B O2B Rb2B 94.9(3) . . ?
Se2B O2B H2B 119(7) . . ?
Rb1 O3A Rb2A 100.14(18) . 1_655 ?
Rb2A O3A Rb1 117.3(2) . . ?
Rb2A O3A Rb2A 98.54(18) . 1_655 ?
Se1 O3A Rb1 97.7(3) . . ?
Se1 O3A Rb2A 101.6(3) . 1_655 ?
Se1 O3A Rb2A 135.4(3) . . ?
Rb1 O3B Rb2B 100.41(18) . 1_455 ?
Rb2B O3B Rb1 117.6(2) . . ?
Rb2B O3B Rb2B 98.04(19) . 1_455 ?
Se1 O3B Rb1 98.1(3) . . ?
Se1 O3B Rb2B 136.3(3) . . ?
Se1 O3B Rb2B 99.4(3) . 1_455 ?
Rb2A O4A Rb2B 122.0(2) . 1_454 ?
Se2A O4A Rb2A 112.3(3) . . ?
Se2A O4A Rb2B 107.7(3) . 1_454 ?
Rb2B O4B Rb2A 121.7(2) . 1_646 ?
Se2B O4B Rb2A 107.7(3) . 1_646 ?
Se2B O4B Rb2B 112.5(3) . . ?
Rb2A O5A Rb2B 98.95(18) 1_545 1_454 ?
Rb2B O5A Rb2A 138.4(2) 1_554 1_545 ?
Rb2B O5A Rb2B 91.4(2) 1_554 1_454 ?
Se2A O5A Rb2A 90.7(3) . 1_545 ?
Se2A O5A Rb2B 129.8(4) . 1_554 ?
Se2A O5A Rb2B 89.5(3) . 1_454 ?
Rb2A O5B Rb2A 91.7(2) 1_546 1_646 ?
Rb2A O5B Rb2B 137.6(2) 1_546 1_545 ?
Rb2B O5B Rb2A 99.61(19) 1_545 1_646 ?
Se2B O5B Rb2A 130.2(4) . 1_546 ?
Se2B O5B Rb2A 90.0(3) . 1_646 ?
Se2B O5B Rb2B 90.8(3) . 1_545 ?
Rb1 O6A Rb1 96.44(19) 1_445 1_545 ?
Rb1 O6A Rb2A 109.9(2) 1_445 1_545 ?
Rb2A O6A Rb1 108.8(2) 1_545 1_545 ?
Se2A O6A Rb1 100.4(3) . 1_545 ?
Se2A O6A Rb1 134.4(3) . 1_445 ?
Se2A O6A Rb2A 104.2(3) . 1_545 ?
Rb1 O6B Rb1 96.5(2) 1_645 1_545 ?
Rb1 O6B Rb2B 110.8(2) 1_645 1_545 ?
Rb2B O6B Rb1 108.7(2) 1_545 1_545 ?
Se2B O6B Rb1 100.5(3) . 1_545 ?
Se2B O6B Rb1 133.8(4) . 1_645 ?
Se2B O6B Rb2B 103.8(3) . 1_545 ?

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 Se1 O1A Rb1 -179.82(4) . . . 1_545 ?
Rb1 Se1 O1A Rb2A -39.5(3) . . . 1_655 ?
Rb1 Se1 O1A Rb2A 140.3(3) 1_545 . . 1_655 ?
Rb1 Se1 O1B Rb1 179.82(4) . . . 1_545 ?
Rb1 Se1 O1B Rb2B 139.8(3) 1_545 . . 1_455 ?
Rb1 Se1 O1B Rb2B -40.4(3) . . . 1_455 ?
Rb1 Se1 O3A Rb1 -179.47(4) 1_545 . . . ?
Rb1 Se1 O3A Rb2A -142.8(6) . . . . ?
Rb1 Se1 O3A Rb2A -77.4(3) 1_545 . . 1_655 ?
Rb1 Se1 O3A Rb2A 37.7(6) 1_545 . . . ?
Rb1 Se1 O3A Rb2A 102.1(2) . . . 1_655 ?
Rb1 Se1 O3B Rb1 179.46(4) 1_545 . . . ?
Rb1 Se1 O3B Rb2B -145.8(6) . . . . ?
Rb1 Se1 O3B Rb2B -78.5(3) 1_545 . . 1_455 ?
Rb1 Se1 O3B Rb2B 33.7(7) 1_545 . . . ?
Rb1 Se1 O3B Rb2B 102.0(2) . . . 1_455 ?
Rb1 Se2A O2A Rb2A -141.6(3) 1_545 . . . ?
Rb1 Se2A O4A Rb2A 49.7(4) 1_545 . . . ?
Rb1 Se2A O4A Rb2B -173.34(8) 1_545 . . 1_454 ?
Rb1 Se2A O5A Rb2A 73.98(17) 1_545 . . 1_545 ?
Rb1 Se2A O5A Rb2B 172.92(5) 1_545 . . 1_454 ?
Rb1 Se2A O5A Rb2B -95.7(5) 1_545 . . 1_554 ?
Rb1 Se2A O6A Rb1 109.8(5) 1_545 . . 1_445 ?
Rb1 Se2A O6A Rb2A -112.6(3) 1_545 . . 1_545 ?
Rb1 Se2B O2B Rb1 53.73(19) 1_645 . . 1_545 ?
Rb1 Se2B O2B Rb2B -141.5(3) 1_545 . . . ?
Rb1 Se2B O2B Rb2B -87.82(15) 1_645 . . . ?
Rb1 Se2B O4B Rb2A -173.81(8) 1_545 . . 1_646 ?
Rb1 Se2B O4B Rb2A -122.8(2) 1_645 . . 1_646 ?
Rb1 Se2B O4B Rb2B 49.4(5) 1_545 . . . ?
Rb1 Se2B O4B Rb2B 100.4(3) 1_645 . . . ?
Rb1 Se2B O5B Rb2A -94.5(5) 1_545 . . 1_546 ?
Rb1 Se2B O5B Rb2A 93.2(4) 1_645 . . 1_646 ?
Rb1 Se2B O5B Rb2A -174.50(13) 1_645 . . 1_546 ?
Rb1 Se2B O5B Rb2A 173.22(5) 1_545 . . 1_646 ?
Rb1 Se2B O5B Rb2B -6.4(5) 1_645 . . 1_545 ?
Rb1 Se2B O5B Rb2B 73.61(18) 1_545 . . 1_545 ?
Rb1 Se2B O6B Rb1 109.7(6) 1_545 . . 1_645 ?
Rb1 Se2B O6B Rb1 -109.7(6) 1_645 . . 1_545 ?
Rb1 Se2B O6B Rb2B 137.9(7) 1_645 . . 1_545 ?
Rb1 Se2B O6B Rb2B -112.4(3) 1_545 . . 1_545 ?
Rb2A Se1 O1A Rb1 -140.3(3) 1_655 . . 1_545 ?
Rb2A Se1 O1B Rb1 55.4(4) 1_655 . . 1_545 ?
Rb2A Se1 O1B Rb2B -164.80(13) 1_655 . . 1_455 ?
Rb2A Se1 O3A Rb1 -102.1(2) 1_655 . . . ?
Rb2A Se1 O3A Rb2A 115.1(6) 1_655 . . . ?
Rb2A Se1 O3B Rb1 60.7(2) 1_655 . . . ?
Rb2A Se1 O3B Rb2B -85.0(5) 1_655 . . . ?
Rb2A Se1 O3B Rb2B 162.76(8) 1_655 . . 1_455 ?
Rb2A Se2A O2A Rb1 141.6(3) . . . 1_545 ?
Rb2A Se2A O2A Rb1 -26.9(4) 1_545 . . 1_545 ?
Rb2A Se2A O2A Rb2A -168.48(10) 1_545 . . . ?
Rb2A Se2A O4A Rb2A 170.38(11) 1_545 . . . ?
Rb2A Se2A O4A Rb2B 137.0(4) . . . 1_454 ?
Rb2A Se2A O4A Rb2B -52.6(3) 1_545 . . 1_454 ?
Rb2A Se2A O5A Rb2A -164.33(8) . . . 1_545 ?
Rb2A Se2A O5A Rb2B -169.7(6) 1_545 . . 1_554 ?
Rb2A Se2A O5A Rb2B -65.4(2) . . . 1_454 ?
Rb2A Se2A O5A Rb2B 26.0(6) . . . 1_554 ?
Rb2A Se2A O5A Rb2B 98.94(18) 1_545 . . 1_454 ?
Rb2A Se2A O6A Rb1 -85.2(2) . . . 1_545 ?
Rb2A Se2A O6A Rb1 112.6(3) 1_545 . . 1_545 ?
Rb2A Se2A O6A Rb1 24.7(6) . . . 1_445 ?
Rb2A Se2A O6A Rb1 -137.5(7) 1_545 . . 1_445 ?
Rb2A Se2A O6A Rb2A 162.21(8) . . . 1_545 ?
Rb2A Se2B O2B Rb1 -173.04(7) 1_646 . . 1_545 ?
Rb2A Se2B O2B Rb2B 45.4(3) 1_646 . . . ?
Rb2A Se2B O4B Rb2B -136.8(4) 1_646 . . . ?
Rb2A Se2B O5B Rb2A 92.3(5) 1_646 . . 1_546 ?
Rb2A Se2B O5B Rb2B -99.61(19) 1_646 . . 1_545 ?
Rb2A Se2B O6B Rb1 171.00(5) 1_646 . . 1_545 ?
Rb2A Se2B O6B Rb1 -79.3(5) 1_646 . . 1_645 ?
Rb2A Se2B O6B Rb2B 58.6(3) 1_646 . . 1_545 ?
Rb2B Se1 O1A Rb1 55.4(3) 1_455 . . 1_545 ?
Rb2B Se1 O1A Rb2A -164.22(13) 1_455 . . 1_655 ?
Rb2B Se1 O1B Rb1 -139.8(3) 1_455 . . 1_545 ?
Rb2B Se1 O3A Rb1 59.9(2) 1_455 . . . ?
Rb2B Se1 O3A Rb2A -82.9(5) 1_455 . . . ?
Rb2B Se1 O3A Rb2A 162.00(9) 1_455 . . 1_655 ?
Rb2B Se1 O3B Rb1 -102.0(2) 1_455 . . . ?
Rb2B Se1 O3B Rb2B 112.2(6) 1_455 . . . ?
Rb2B Se2A O2A Rb1 -173.32(6) 1_454 . . 1_545 ?
Rb2B Se2A O2A Rb2A 45.1(3) 1_454 . . . ?
Rb2B Se2A O4A Rb2A -137.0(4) 1_454 . . . ?
Rb2B Se2A O5A Rb2A -98.94(18) 1_454 . . 1_545 ?
Rb2B Se2A O5A Rb2B 91.4(5) 1_454 . . 1_554 ?
Rb2B Se2A O6A Rb1 171.10(5) 1_454 . . 1_545 ?
Rb2B Se2A O6A Rb1 -79.1(5) 1_454 . . 1_445 ?
Rb2B Se2A O6A Rb2A 58.5(3) 1_454 . . 1_545 ?
Rb2B Se2B O2B Rb1 -27.2(4) 1_545 . . 1_545 ?
Rb2B Se2B O2B Rb1 141.5(3) . . . 1_545 ?
Rb2B Se2B O2B Rb2B -168.74(10) 1_545 . . . ?
Rb2B Se2B O4B Rb2A 136.8(4) . . . 1_646 ?
Rb2B Se2B O4B Rb2A -52.7(3) 1_545 . . 1_646 ?
Rb2B Se2B O4B Rb2B 170.46(11) 1_545 . . . ?
Rb2B Se2B O5B Rb2A 27.5(6) . . . 1_546 ?
Rb2B Se2B O5B Rb2A -64.8(3) . . . 1_646 ?
Rb2B Se2B O5B Rb2A -168.1(6) 1_545 . . 1_546 ?
Rb2B Se2B O5B Rb2A 99.61(19) 1_545 . . 1_646 ?
Rb2B Se2B O5B Rb2B -164.42(8) . . . 1_545 ?
Rb2B Se2B O6B Rb1 -137.9(7) 1_545 . . 1_645 ?
Rb2B Se2B O6B Rb1 24.5(6) . . . 1_645 ?
Rb2B Se2B O6B Rb1 -85.2(2) . . . 1_545 ?
Rb2B Se2B O6B Rb1 112.4(3) 1_545 . . 1_545 ?
Rb2B Se2B O6B Rb2B 162.41(8) . . . 1_545 ?
O1A Se1 O1B Rb1 0.1(3) . . . 1_545 ?
O1A Se1 O1B Rb2B 139.9(2) . . . 1_455 ?
O1A Se1 O3A Rb1 -124.0(2) . . . . ?
O1A Se1 O3A Rb2A -21.9(3) . . . 1_655 ?
O1A Se1 O3A Rb2A 93.3(5) . . . . ?
O1A Se1 O3B Rb1 121.7(3) . . . . ?
O1A Se1 O3B Rb2B -136.3(3) . . . 1_455 ?
O1A Se1 O3B Rb2B -24.1(6) . . . . ?
O1B Se1 O1A Rb1 -0.1(3) . . . 1_545 ?
O1B Se1 O1A Rb2A 140.2(2) . . . 1_655 ?
O1B Se1 O3A Rb1 121.9(3) . . . . ?
O1B Se1 O3A Rb2A -136.0(3) . . . 1_655 ?
O1B Se1 O3A Rb2A -20.8(6) . . . . ?
O1B Se1 O3B Rb1 -123.6(2) . . . . ?
O1B Se1 O3B Rb2B 90.6(6) . . . . ?
O1B Se1 O3B Rb2B -21.6(3) . . . 1_455 ?
O2A Se2A O4A Rb2A -0.2(4) . . . . ?
O2A Se2A O4A Rb2B 136.8(3) . . . 1_454 ?
O2A Se2A O5A Rb2A 130.9(3) . . . 1_545 ?
O2A Se2A O5A Rb2B -130.2(3) . . . 1_454 ?
O2A Se2A O5A Rb2B -38.8(6) . . . 1_554 ?
O2A Se2A O6A Rb1 -22.7(3) . . . 1_545 ?
O2A Se2A O6A Rb1 87.2(5) . . . 1_445 ?
O2A Se2A O6A Rb2A -135.3(3) . . . 1_545 ?
O2B Se2B O4B Rb2A 136.6(3) . . . 1_646 ?
O2B Se2B O4B Rb2B -0.3(4) . . . . ?
O2B Se2B O5B Rb2A -37.7(6) . . . 1_546 ?
O2B Se2B O5B Rb2A -130.0(3) . . . 1_646 ?
O2B Se2B O5B Rb2B 130.4(3) . . . 1_545 ?
O2B Se2B O6B Rb1 87.2(5) . . . 1_645 ?
O2B Se2B O6B Rb1 -22.5(3) . . . 1_545 ?
O2B Se2B O6B Rb2B -134.9(3) . . . 1_545 ?
O3A Se1 O1A Rb1 -119.1(3) . . . 1_545 ?
O3A Se1 O1A Rb2A 21.2(3) . . . 1_655 ?
O3A Se1 O1B Rb1 115.5(3) . . . 1_545 ?
O3A Se1 O1B Rb2B -104.7(3) . . . 1_455 ?
O3A Se1 O3B Rb1 1.8(4) . . . . ?
O3A Se1 O3B Rb2B 103.8(3) . . . 1_455 ?
O3A Se1 O3B Rb2B -144.0(4) . . . . ?
O3B Se1 O1A Rb1 117.1(3) . . . 1_545 ?
O3B Se1 O1A Rb2A -102.5(3) . . . 1_655 ?
O3B Se1 O1B Rb1 -118.4(3) . . . 1_545 ?
O3B Se1 O1B Rb2B 21.4(3) . . . 1_455 ?
O3B Se1 O3A Rb1 -1.8(4) . . . . ?
O3B Se1 O3A Rb2A 100.3(4) . . . 1_655 ?
O3B Se1 O3A Rb2A -144.6(4) . . . . ?
O4A Se2A O2A Rb1 141.7(3) . . . 1_545 ?
O4A Se2A O2A Rb2A 0.1(3) . . . . ?
O4A Se2A O5A Rb2A -114.8(3) . . . 1_545 ?
O4A Se2A O5A Rb2B 75.5(6) . . . 1_554 ?
O4A Se2A O5A Rb2B -15.8(3) . . . 1_454 ?
O4A Se2A O6A Rb1 -135.1(3) . . . 1_545 ?
O4A Se2A O6A Rb1 -25.3(6) . . . 1_445 ?
O4A Se2A O6A Rb2A 112.2(3) . . . 1_545 ?
O4B Se2B O2B Rb1 141.8(3) . . . 1_545 ?
O4B Se2B O2B Rb2B 0.2(3) . . . . ?
O4B Se2B O5B Rb2A 76.6(6) . . . 1_546 ?
O4B Se2B O5B Rb2A -15.7(3) . . . 1_646 ?
O4B Se2B O5B Rb2B -115.3(3) . . . 1_545 ?
O4B Se2B O6B Rb1 -135.1(3) . . . 1_545 ?
O4B Se2B O6B Rb1 -25.4(6) . . . 1_645 ?
O4B Se2B O6B Rb2B 112.5(3) . . . 1_545 ?
O5A Se2A O2A Rb1 -98.9(4) . . . 1_545 ?
O5A Se2A O2A Rb2A 119.5(3) . . . . ?
O5A Se2A O4A Rb2A -117.6(3) . . . . ?
O5A Se2A O4A Rb2B 19.4(4) . . . 1_454 ?
O5A Se2A O6A Rb1 96.5(4) . . . 1_545 ?
O5A Se2A O6A Rb1 -153.7(5) . . . 1_445 ?
O5A Se2A O6A Rb2A -16.2(4) . . . 1_545 ?
O5B Se2B O2B Rb1 -99.3(4) . . . 1_545 ?
O5B Se2B O2B Rb2B 119.2(3) . . . . ?
O5B Se2B O4B Rb2A 19.1(4) . . . 1_646 ?
O5B Se2B O4B Rb2B -117.7(3) . . . . ?
O5B Se2B O6B Rb1 96.7(4) . . . 1_545 ?
O5B Se2B O6B Rb1 -153.6(5) . . . 1_645 ?
O5B Se2B O6B Rb2B -15.7(4) . . . 1_545 ?
O6A Se2A O2A Rb1 23.3(3) . . . 1_545 ?
O6A Se2A O2A Rb2A -118.3(3) . . . . ?
O6A Se2A O4A Rb2A 113.0(3) . . . . ?
O6A Se2A O4A Rb2B -110.0(3) . . . 1_454 ?
O6A Se2A O5A Rb2A 14.0(4) . . . 1_545 ?
O6A Se2A O5A Rb2B 112.9(3) . . . 1_454 ?
O6A Se2A O5A Rb2B -155.7(5) . . . 1_554 ?
O6B Se2B O2B Rb1 23.2(3) . . . 1_545 ?
O6B Se2B O2B Rb2B -118.4(3) . . . . ?
O6B Se2B O4B Rb2A -110.4(3) . . . 1_646 ?
O6B Se2B O4B Rb2B 112.8(4) . . . . ?
O6B Se2B O5B Rb2A -154.5(5) . . . 1_546 ?
O6B Se2B O5B Rb2A 113.2(3) . . . 1_646 ?
O6B Se2B O5B Rb2B 13.6(4) . . . 1_545 ?

_olex2_submission_special_instructions 'No special instructions were received'
