# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_hdhd
_audit_block_doi                 10.25505/fiz.icsd.cc2r7gfx
_database_code_depnum_ccdc_archive 'CCDC 2539409'
loop_
_audit_author_name
_audit_author_address
'Xize Zhan'
;Sichuan University
China
;
_audit_update_record             
;
2026-03-20 deposited with the CCDC.	2026-05-01 downloaded from the CCDC.
;
_audit_creation_date             2026-03-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl0.5 Cs0.5 H2 O3 Se'
_chemical_formula_sum            'Cl0.50 H2 Cs0.50 O3 Se'
_chemical_formula_weight         213.16
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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'
O O 0.0106 0.0060 '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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.3224(2)
_cell_length_b                   6.4994(3)
_cell_length_c                   6.7116(3)
_cell_angle_alpha                70.800(4)
_cell_angle_beta                 88.917(3)
_cell_angle_gamma                79.738(4)
_cell_volume                     215.552(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2117
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.6860
_cell_measurement_theta_min      3.2060
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.025
_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            'clear blackish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.284
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             192
_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  0.0341
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.800
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2668
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.800
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.742
_diffrn_reflns_theta_min         3.217
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.800
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                933
_reflns_number_total             1078
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.393
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.186
_refine_ls_extinction_coef       0.219(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     53
_refine_ls_number_reflns         1078
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0290
_refine_ls_restrained_S_all      1.020
_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)+(0.0459P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0770
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H) groups
2.a Tetrahedral OH refined with riding coordinates:
 O1(H1)
;
_atom_sites_solution_hydrogens   mixed
_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
Cs1 Cs 1.000000 1.000000 0.500000 0.0335(2) Uani 1 2 d S T P . .
Se1 Se 0.57261(8) 0.69064(7) 0.16860(6) 0.02656(19) Uani 1 1 d . . . . .
Cl1 Cl 1.000000 1.000000 0.000000 0.0290(3) Uani 1 2 d S T P . .
O3 O 0.5444(6) 0.7837(5) 0.3750(4) 0.0342(7) Uani 1 1 d . . . . .
O1 O 0.3959(5) 0.4869(5) 0.2341(4) 0.0333(7) Uani 1 1 d . . . . .
H1 H 0.471808 0.379059 0.328486 0.050 Uiso 1 1 calc R . . . .
O2 O 0.8652(6) 0.5068(5) 0.2344(5) 0.0400(8) Uani 1 1 d . . . . .
H2 H 0.976(12) 0.587(10) 0.194(9) 0.060 Uiso 1 1 d R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Cs1 5.3224(2) 1_455 ?
Cs1 Cs1 5.3224(2) 1_655 ?
Cs1 Cl1 3.35580(15) 1_556 ?
Cs1 Cl1 3.35580(15) . ?
Cs1 O3 3.211(3) 1_655 ?
Cs1 O3 3.211(3) 2_676 ?
Cs1 O3 3.260(3) . ?
Cs1 O3 3.260(3) 2_776 ?
Cs1 O2 3.144(3) 2_766 ?
Cs1 O2 3.144(3) 1_565 ?
Se1 O3 1.679(3) . ?
Se1 O1 1.696(3) . ?
Se1 O2 1.751(3) . ?
O1 H1 0.8200 . ?
O2 H2 0.84(5) . ?

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
Cs1 Cs1 Cs1 180.0 1_455 1_655 ?
Cl1 Cs1 Cs1 88.917(3) 1_556 1_655 ?
Cl1 Cs1 Cs1 91.083(3) . 1_655 ?
Cl1 Cs1 Cs1 88.917(3) . 1_455 ?
Cl1 Cs1 Cs1 91.083(3) 1_556 1_455 ?
Cl1 Cs1 Cl1 180.0 . 1_556 ?
O3 Cs1 Cs1 34.96(5) 2_676 1_455 ?
O3 Cs1 Cs1 34.96(5) 1_655 1_655 ?
O3 Cs1 Cs1 145.64(5) . 1_655 ?
O3 Cs1 Cs1 145.04(5) 1_655 1_455 ?
O3 Cs1 Cs1 34.36(5) 2_776 1_655 ?
O3 Cs1 Cs1 34.36(5) . 1_455 ?
O3 Cs1 Cs1 145.04(5) 2_676 1_655 ?
O3 Cs1 Cs1 145.64(5) 2_776 1_455 ?
O3 Cs1 Cl1 67.16(5) 1_655 . ?
O3 Cs1 Cl1 112.84(5) 1_655 1_556 ?
O3 Cs1 Cl1 114.40(5) . 1_556 ?
O3 Cs1 Cl1 114.40(5) 2_776 . ?
O3 Cs1 Cl1 65.60(5) 2_776 1_556 ?
O3 Cs1 Cl1 112.84(5) 2_676 . ?
O3 Cs1 Cl1 65.60(5) . . ?
O3 Cs1 Cl1 67.16(5) 2_676 1_556 ?
O3 Cs1 O3 69.32(8) 1_655 2_776 ?
O3 Cs1 O3 110.68(8) 2_676 2_776 ?
O3 Cs1 O3 110.68(8) 1_655 . ?
O3 Cs1 O3 180.0 2_676 1_655 ?
O3 Cs1 O3 69.32(8) 2_676 . ?
O3 Cs1 O3 180.0 2_776 . ?
O2 Cs1 Cs1 92.99(5) 2_766 1_455 ?
O2 Cs1 Cs1 87.01(5) 2_766 1_655 ?
O2 Cs1 Cs1 87.01(5) 1_565 1_455 ?
O2 Cs1 Cs1 92.99(5) 1_565 1_655 ?
O2 Cs1 Cl1 103.10(6) 2_766 . ?
O2 Cs1 Cl1 103.10(6) 1_565 1_556 ?
O2 Cs1 Cl1 76.90(6) 1_565 . ?
O2 Cs1 Cl1 76.90(6) 2_766 1_556 ?
O2 Cs1 O3 110.32(7) 2_766 2_676 ?
O2 Cs1 O3 75.12(8) 2_766 . ?
O2 Cs1 O3 69.68(7) 2_766 1_655 ?
O2 Cs1 O3 75.12(8) 1_565 2_776 ?
O2 Cs1 O3 104.88(8) 1_565 . ?
O2 Cs1 O3 104.88(8) 2_766 2_776 ?
O2 Cs1 O3 110.32(7) 1_565 1_655 ?
O2 Cs1 O3 69.68(7) 1_565 2_676 ?
O2 Cs1 O2 180.0 2_766 1_565 ?
O3 Se1 O1 103.36(14) . . ?
O3 Se1 O2 101.01(16) . . ?
O1 Se1 O2 94.16(14) . . ?
Cs1 Cl1 Cs1 180.0 1_554 . ?
Cs1 O3 Cs1 110.68(8) 1_455 . ?
Se1 O3 Cs1 120.04(13) . . ?
Se1 O3 Cs1 121.63(14) . 1_455 ?
Se1 O1 H1 109.5 . . ?
Cs1 O2 H2 123(5) 1_545 . ?
Se1 O2 Cs1 131.59(14) . 1_545 ?
Se1 O2 H2 105(5) . . ?

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
O3 Se1 O2 Cs1 88.9(2) . . . 1_545 ?
O1 Se1 O3 Cs1 151.66(14) . . . . ?
O1 Se1 O3 Cs1 -61.70(17) . . . 1_455 ?
O1 Se1 O2 Cs1 -15.6(2) . . . 1_545 ?
O2 Se1 O3 Cs1 54.64(16) . . . . ?
O2 Se1 O3 Cs1 -158.72(14) . . . 1_455 ?

_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_1-65_auto
_database_code_depnum_ccdc_archive 'CCDC 2429910'
loop_
_audit_author_name
_audit_author_address
'Xize Zhan'
;Sichuan University
China
;
_audit_update_record             
;
2025-03-22 deposited with the CCDC.	2026-05-01 downloaded from the CCDC.
;
_audit_creation_date             2025-03-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl Cs H2 O5 Se2'
_chemical_formula_sum            'Cl Cs H2 O5 Se2'
_chemical_formula_weight         408.30
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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'
O O 0.0106 0.0060 '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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4541(8)
_cell_length_b                   9.9920(5)
_cell_length_c                   10.4237(11)
_cell_angle_alpha                73.076(7)
_cell_angle_beta                 70.505(9)
_cell_angle_gamma                67.811(7)
_cell_volume                     754.71(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5832
_cell_measurement_temperature    298.34(10)
_cell_measurement_theta_max      31.0000
_cell_measurement_theta_min      2.6840
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.862
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.07939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.593
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             728
_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  0.0483
_diffrn_reflns_av_unetI/netI     0.0607
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.791
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8954
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.791
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.720
_diffrn_reflns_theta_min         2.111
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.34(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.791
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     31.00  79.00   0.50    0.11    --    6.02  57.00 -90.00   96
  2  ω    -20.00  38.00   0.50    0.11    --    6.02 -99.00-150.00  116
  3  ω    -19.00  27.00   0.50    0.11    --   -6.25 -99.00-120.00   92
  4  ω    -10.00  30.00   0.50    0.11    --    6.02 -99.00 120.00   80
  5  ω    -63.00  16.00   0.50    0.11    --   -6.25 -77.00  30.00  158
  6  ω    -13.00  64.00   0.50    0.11    --   -6.25  57.00-180.00  154
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0045745000
_diffrn_orient_matrix_UB_12      0.0159559000
_diffrn_orient_matrix_UB_13      -0.0718131000
_diffrn_orient_matrix_UB_21      -0.0915834000
_diffrn_orient_matrix_UB_22      0.0098966000
_diffrn_orient_matrix_UB_23      0.0156622000
_diffrn_orient_matrix_UB_31      -0.0190119000
_diffrn_orient_matrix_UB_32      0.0757812000
_diffrn_orient_matrix_UB_33      -0.0012464000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3008
_reflns_number_total             3713
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.93a (Rigaku OD, 2023)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.93a 64-bit (release 17-10-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.93a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.093
_refine_diff_density_min         -1.810
_refine_diff_density_rms         0.243
_refine_ls_extinction_coef       0.0222(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3713
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      0.984
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0336P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0770
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O7-H7
 0.85 with sigma of 0.01
 Se3-H7
 2.070601 with sigma of 0.02
 Cs2-H7
 4.146843 with sigma of 0.02
2.a Ternary CH refined with riding coordinates:
 O1(H1)
2.b Idealised tetrahedral OH refined as rotating group:
 O5(H5)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs2 Cs 0.38088(4) 0.47202(4) 0.32222(4) 0.02575(12) Uani 1 1 d D . . . .
Cs1 Cs 0.29083(5) 0.91846(4) 0.41515(4) 0.02938(12) Uani 1 1 d . . . . .
Se3 Se 0.20509(6) 0.75555(5) -0.02694(6) 0.01639(13) Uani 1 1 d D . . . .
Se4 Se 0.55701(6) 0.77932(5) 0.00275(6) 0.01826(14) Uani 1 1 d . . . . .
Se2 Se -0.09192(6) 0.84974(5) 0.23840(6) 0.01822(14) Uani 1 1 d . . . . .
Se1 Se 0.09243(7) 0.60886(6) 0.69370(6) 0.02048(14) Uani 1 1 d . . . . .
Cl1 Cl -0.18458(17) 0.95970(14) 0.93265(16) 0.0266(3) Uani 1 1 d . . . . .
Cl2 Cl 0.42207(18) 0.88409(15) -0.29044(16) 0.0286(3) Uani 1 1 d . . . . .
O6 O 0.0856(5) 0.7068(4) 0.1497(4) 0.0271(9) Uani 1 1 d . . . . .
O5 O -0.2321(5) 0.7421(4) 0.3039(4) 0.0248(9) Uani 1 1 d . . . . .
H5 H -0.2828 0.7515 0.2456 0.037 Uiso 1 1 calc R U . . .
O8 O 0.4107(5) 0.6764(4) 0.0216(4) 0.0246(9) Uani 1 1 d . . . . .
O3 O 0.2821(5) 0.5994(4) 0.5817(4) 0.0279(9) Uani 1 1 d . . . . .
O1 O 0.0093(5) 0.8002(4) 0.6872(5) 0.0317(10) Uani 1 1 d . . . . .
H1 H 0.0263 0.8181 0.7686 0.048 Uiso 1 1 calc R U . . .
O10 O 0.7427(5) 0.6484(4) -0.0720(5) 0.0282(9) Uani 1 1 d . . . . .
O7 O 0.2179(5) 0.6177(4) -0.0867(4) 0.0263(9) Uani 1 1 d D . . . .
H7 H 0.203(6) 0.545(3) -0.023(2) 0.039 Uiso 1 1 d D U . . .
O4 O -0.0245(5) 0.8216(5) 0.3763(4) 0.0306(10) Uani 1 1 d . . . . .
O9 O 0.5623(5) 0.7380(4) 0.1650(5) 0.0286(9) Uani 1 1 d . . . . .
O2 O -0.0389(6) 0.6064(6) 0.5972(6) 0.0348(11) Uani 1 1 d . . . . .
H2 H -0.020(13) 0.649(10) 0.530(11) 0.08(4) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs2 Se4 4.1141(7) . ?
Cs2 Se1 4.1317(8) . ?
Cs2 Cl2 3.3744(14) 2_665 ?
Cs2 O6 3.330(4) . ?
Cs2 O8 3.192(4) . ?
Cs2 O3 3.095(4) 2_666 ?
Cs2 O3 3.054(4) . ?
Cs2 O10 3.734(4) 2_665 ?
Cs2 O7 3.430(4) 2_665 ?
Cs2 O9 3.312(4) . ?
Cs2 O2 3.063(4) 2_566 ?
Cs2 O2 3.803(5) . ?
Cs1 Cs1 4.4481(9) 2_576 ?
Cs1 Se1 4.0314(7) . ?
Cs1 Cl1 3.7696(17) 2_576 ?
Cs1 Cl2 3.4839(17) 1_556 ?
Cs1 Cl2 3.3899(14) 2_675 ?
Cs1 O5 3.663(4) 1_655 ?
Cs1 O3 3.171(4) . ?
Cs1 O1 3.282(4) . ?
Cs1 O1 3.186(4) 2_576 ?
Cs1 O4 3.485(4) 2_576 ?
Cs1 O4 3.333(4) . ?
Cs1 O9 3.307(4) . ?
Se3 Cs2 4.2153(8) 2_665 ?
Se3 O6 1.804(4) . ?
Se3 O8 1.794(3) . ?
Se3 O7 1.624(3) . ?
Se4 O8 1.819(3) . ?
Se4 O10 1.734(4) . ?
Se4 O9 1.632(4) . ?
Se2 O6 1.836(4) . ?
Se2 O5 1.739(3) . ?
Se2 O4 1.630(4) . ?
Se1 Cs2 4.1682(7) 2_666 ?
Se1 O3 1.626(4) . ?
Se1 O1 1.759(4) . ?
Se1 O2 1.740(4) . ?
Cl1 Cs1 3.7697(17) 2_576 ?
Cl2 Cs2 3.3744(14) 2_665 ?
Cl2 Cs1 3.3899(14) 2_675 ?
Cl2 Cs1 3.4838(17) 1_554 ?
O5 Cs1 3.663(4) 1_455 ?
O5 H5 0.8200 . ?
O3 Cs2 3.095(4) 2_666 ?
O1 Cs1 3.186(4) 2_576 ?
O1 H1 0.9800 . ?
O10 Cs2 3.734(4) 2_665 ?
O7 Cs2 3.430(4) 2_665 ?
O7 H7 0.843(10) . ?
O4 Cs1 3.485(4) 2_576 ?
O2 Cs2 3.063(4) 2_566 ?
O2 H2 0.70(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se4 Cs2 Se1 116.620(14) . . ?
Cl2 Cs2 Se4 116.87(3) 2_665 . ?
Cl2 Cs2 Se1 123.99(3) 2_665 . ?
Cl2 Cs2 O10 63.93(6) 2_665 2_665 ?
Cl2 Cs2 O7 62.06(6) 2_665 2_665 ?
Cl2 Cs2 O2 123.79(8) 2_665 . ?
O6 Cs2 Se4 64.49(6) . . ?
O6 Cs2 Se1 93.97(7) . . ?
O6 Cs2 Cl2 123.29(7) . 2_665 ?
O6 Cs2 O10 59.37(9) . 2_665 ?
O6 Cs2 O7 107.85(10) . 2_665 ?
O6 Cs2 O2 74.23(10) . . ?
O8 Cs2 Se4 24.98(6) . . ?
O8 Cs2 Se1 126.13(7) . . ?
O8 Cs2 Cl2 109.43(7) . 2_665 ?
O8 Cs2 O6 46.27(9) . . ?
O8 Cs2 O10 65.45(9) . 2_665 ?
O8 Cs2 O7 63.69(9) . 2_665 ?
O8 Cs2 O9 46.74(9) . . ?
O8 Cs2 O2 115.94(10) . . ?
O3 Cs2 Se4 87.58(8) 2_666 . ?
O3 Cs2 Se4 104.48(8) . . ?
O3 Cs2 Se1 87.57(7) 2_666 . ?
O3 Cs2 Se1 19.73(7) . . ?
O3 Cs2 Cl2 79.25(8) 2_666 2_665 ?
O3 Cs2 Cl2 127.12(9) . 2_665 ?
O3 Cs2 O6 149.45(10) 2_666 . ?
O3 Cs2 O6 103.11(10) . . ?
O3 Cs2 O8 121.29(10) . . ?
O3 Cs2 O8 110.10(10) 2_666 . ?
O3 Cs2 O3 70.74(11) . 2_666 ?
O3 Cs2 O10 150.95(9) . 2_665 ?
O3 Cs2 O10 136.49(9) 2_666 2_665 ?
O3 Cs2 O7 128.85(9) . 2_665 ?
O3 Cs2 O7 61.82(10) 2_666 2_665 ?
O3 Cs2 O9 70.93(10) 2_666 . ?
O3 Cs2 O9 84.93(10) . . ?
O3 Cs2 O2 43.60(10) . . ?
O3 Cs2 O2 112.28(10) 2_666 . ?
O3 Cs2 O2 93.69(12) . 2_566 ?
O10 Cs2 Se4 89.08(6) 2_665 . ?
O10 Cs2 Se1 131.65(6) 2_665 . ?
O10 Cs2 O2 107.35(9) 2_665 . ?
O7 Cs2 Se4 57.47(6) 2_665 . ?
O7 Cs2 Se1 148.13(7) 2_665 . ?
O7 Cs2 O10 80.12(9) 2_665 2_665 ?
O7 Cs2 O2 171.85(9) 2_665 . ?
O9 Cs2 Se4 22.20(7) . . ?
O9 Cs2 Se1 100.31(7) . . ?
O9 Cs2 Cl2 124.86(7) . 2_665 ?
O9 Cs2 O6 78.80(9) . . ?
O9 Cs2 O10 111.24(10) . 2_665 ?
O9 Cs2 O7 63.07(9) . 2_665 ?
O9 Cs2 O2 110.31(10) . . ?
O2 Cs2 Se4 130.36(10) 2_566 . ?
O2 Cs2 Se4 118.38(8) . . ?
O2 Cs2 Se1 24.89(7) . . ?
O2 Cs2 Se1 73.98(10) 2_566 . ?
O2 Cs2 Cl2 84.01(10) 2_566 2_665 ?
O2 Cs2 O6 66.53(12) 2_566 . ?
O2 Cs2 O8 107.61(12) 2_566 . ?
O2 Cs2 O3 141.98(13) 2_566 2_666 ?
O2 Cs2 O10 58.83(11) 2_566 2_665 ?
O2 Cs2 O7 135.78(12) 2_566 2_665 ?
O2 Cs2 O9 144.07(12) 2_566 . ?
O2 Cs2 O2 52.36(15) 2_566 . ?
Se1 Cs1 Cs1 66.727(14) . 2_576 ?
Cl1 Cs1 Cs1 84.86(3) 2_576 2_576 ?
Cl1 Cs1 Se1 117.66(2) 2_576 . ?
Cl2 Cs1 Cs1 98.79(3) 1_556 2_576 ?
Cl2 Cs1 Cs1 127.72(3) 2_675 2_576 ?
Cl2 Cs1 Se1 76.26(3) 1_556 . ?
Cl2 Cs1 Se1 152.45(3) 2_675 . ?
Cl2 Cs1 Cl1 165.70(3) 1_556 2_576 ?
Cl2 Cs1 Cl1 88.69(4) 2_675 2_576 ?
Cl2 Cs1 Cl2 78.10(4) 2_675 1_556 ?
Cl2 Cs1 O5 78.68(7) 1_556 1_655 ?
Cl2 Cs1 O5 58.32(6) 2_675 1_655 ?
Cl2 Cs1 O4 64.30(7) 1_556 2_576 ?
Cl2 Cs1 O4 87.37(7) 2_675 2_576 ?
O5 Cs1 Cs1 173.10(6) 1_655 2_576 ?
O5 Cs1 Se1 106.38(6) 1_655 . ?
O5 Cs1 Cl1 99.15(7) 1_655 2_576 ?
O3 Cs1 Cs1 88.37(7) . 2_576 ?
O3 Cs1 Se1 22.25(7) . . ?
O3 Cs1 Cl1 117.47(8) . 2_576 ?
O3 Cs1 Cl2 76.59(8) . 1_556 ?
O3 Cs1 Cl2 138.58(7) . 2_675 ?
O3 Cs1 O5 84.80(9) . 1_655 ?
O3 Cs1 O1 131.43(10) . 2_576 ?
O3 Cs1 O1 47.08(9) . . ?
O3 Cs1 O4 109.92(10) . 2_576 ?
O3 Cs1 O4 66.78(10) . . ?
O3 Cs1 O9 83.21(10) . . ?
O1 Cs1 Cs1 47.46(8) 2_576 2_576 ?
O1 Cs1 Cs1 45.66(7) . 2_576 ?
O1 Cs1 Se1 25.28(7) . . ?
O1 Cs1 Se1 112.33(8) 2_576 . ?
O1 Cs1 Cl1 118.98(8) . 2_576 ?
O1 Cs1 Cl1 51.39(8) 2_576 2_576 ?
O1 Cs1 Cl2 122.26(8) 2_576 1_556 ?
O1 Cs1 Cl2 71.89(8) . 1_556 ?
O1 Cs1 Cl2 146.20(8) . 2_675 ?
O1 Cs1 Cl2 89.89(8) 2_576 2_675 ?
O1 Cs1 O5 139.20(10) 2_576 1_655 ?
O1 Cs1 O5 127.63(10) . 1_655 ?
O1 Cs1 O1 93.12(11) 2_576 . ?
O1 Cs1 O4 59.58(11) . . ?
O1 Cs1 O4 58.83(10) 2_576 2_576 ?
O1 Cs1 O4 68.83(10) 2_576 . ?
O1 Cs1 O4 65.94(9) . 2_576 ?
O1 Cs1 O9 126.66(9) . . ?
O1 Cs1 O9 113.06(11) 2_576 . ?
O4 Cs1 Cs1 50.78(8) . 2_576 ?
O4 Cs1 Cs1 47.81(6) 2_576 2_576 ?
O4 Cs1 Se1 57.56(7) . . ?
O4 Cs1 Se1 90.50(7) 2_576 . ?
O4 Cs1 Cl1 61.40(8) . 2_576 ?
O4 Cs1 Cl1 110.09(7) 2_576 2_576 ?
O4 Cs1 Cl2 149.81(8) . 2_675 ?
O4 Cs1 Cl2 131.11(8) . 1_556 ?
O4 Cs1 O5 134.31(9) 2_576 1_655 ?
O4 Cs1 O5 126.47(10) . 1_655 ?
O4 Cs1 O4 98.60(9) . 2_576 ?
O9 Cs1 Cs1 136.15(7) . 2_576 ?
O9 Cs1 Se1 102.46(7) . . ?
O9 Cs1 Cl1 62.02(8) . 2_576 ?
O9 Cs1 Cl2 120.54(8) . 1_556 ?
O9 Cs1 Cl2 82.11(7) . 2_675 ?
O9 Cs1 O5 43.87(9) . 1_655 ?
O9 Cs1 O4 166.87(10) . 2_576 ?
O9 Cs1 O4 86.79(10) . . ?
Cs2 Se3 Cs2 95.552(15) 2_665 . ?
O6 Se3 Cs2 48.71(12) . . ?
O6 Se3 Cs2 135.95(11) . 2_665 ?
O8 Se3 Cs2 43.92(13) . . ?
O8 Se3 Cs2 66.91(14) . 2_665 ?
O8 Se3 O6 90.97(19) . . ?
O7 Se3 Cs2 91.79(15) . . ?
O7 Se3 Cs2 50.86(14) . 2_665 ?
O7 Se3 O6 98.90(19) . . ?
O7 Se3 O8 97.42(19) . . ?
O8 Se4 Cs2 47.84(13) . . ?
O10 Se4 Cs2 93.54(13) . . ?
O10 Se4 O8 93.02(17) . . ?
O9 Se4 Cs2 50.07(13) . . ?
O9 Se4 O8 96.75(18) . . ?
O9 Se4 O10 103.3(2) . . ?
O5 Se2 O6 92.38(18) . . ?
O4 Se2 O6 99.9(2) . . ?
O4 Se2 O5 98.9(2) . . ?
Cs2 Se1 Cs2 74.334(14) . 2_666 ?
Cs1 Se1 Cs2 68.105(13) . 2_666 ?
Cs1 Se1 Cs2 68.057(13) . . ?
O3 Se1 Cs2 39.64(15) . 2_666 ?
O3 Se1 Cs2 39.37(14) . . ?
O3 Se1 Cs1 47.60(14) . . ?
O3 Se1 O1 99.20(19) . . ?
O3 Se1 O2 103.3(2) . . ?
O1 Se1 Cs2 116.28(15) . . ?
O1 Se1 Cs2 100.79(14) . 2_666 ?
O1 Se1 Cs1 52.81(14) . . ?
O2 Se1 Cs2 141.25(18) . 2_666 ?
O2 Se1 Cs2 66.93(18) . . ?
O2 Se1 Cs1 95.75(17) . . ?
O2 Se1 O1 95.5(2) . . ?
Cs2 Cl2 Cs1 84.07(3) 2_665 1_554 ?
Cs2 Cl2 Cs1 112.63(4) 2_665 2_675 ?
Cs1 Cl2 Cs1 101.90(4) 2_675 1_554 ?
Se3 O6 Cs2 107.27(15) . . ?
Se3 O6 Se2 120.0(2) . . ?
Se2 O6 Cs2 116.96(19) . . ?
Cs1 O5 H5 67.9 1_455 . ?
Se2 O5 Cs1 119.51(16) . 1_455 ?
Se2 O5 H5 109.5 . . ?
Se3 O8 Cs2 113.14(16) . . ?
Se3 O8 Se4 124.2(2) . . ?
Se4 O8 Cs2 107.18(16) . . ?
Cs2 O3 Cs2 109.26(11) . 2_666 ?
Cs2 O3 Cs1 94.26(10) 2_666 . ?
Cs2 O3 Cs1 94.42(12) . . ?
Se1 O3 Cs2 120.90(18) . . ?
Se1 O3 Cs2 120.8(2) . 2_666 ?
Se1 O3 Cs1 110.16(17) . . ?
Cs1 O1 Cs1 86.88(11) 2_576 . ?
Cs1 O1 H1 107.1 2_576 . ?
Cs1 O1 H1 107.1 . . ?
Se1 O1 Cs1 101.91(17) . . ?
Se1 O1 Cs1 140.2(2) . 2_576 ?
Se1 O1 H1 107.1 . . ?
Se4 O10 Cs2 107.42(17) . 2_665 ?
Cs2 O7 H7 112(3) 2_665 . ?
Se3 O7 Cs2 107.60(17) . 2_665 ?
Se3 O7 H7 112.6(17) . . ?
Cs1 O4 Cs1 81.40(9) . 2_576 ?
Se2 O4 Cs1 129.83(19) . . ?
Se2 O4 Cs1 112.24(19) . 2_576 ?
Cs1 O9 Cs2 87.31(10) . . ?
Se4 O9 Cs2 107.74(16) . . ?
Se4 O9 Cs1 127.29(19) . . ?
Cs2 O2 Cs2 127.64(15) 2_566 . ?
Cs2 O2 H2 58(8) . . ?
Cs2 O2 H2 115(8) 2_566 . ?
Se1 O2 Cs2 132.8(3) . 2_566 ?
Se1 O2 Cs2 88.18(18) . . ?
Se1 O2 H2 110(8) . . ?

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
Cs2 Se3 O6 Cs2 43.7(2) 2_665 . . . ?
Cs2 Se3 O6 Se2 136.7(3) . . . . ?
Cs2 Se3 O6 Se2 -179.59(9) 2_665 . . . ?
Cs2 Se3 O8 Cs2 -126.47(15) 2_665 . . . ?
Cs2 Se3 O8 Se4 100.8(3) 2_665 . . . ?
Cs2 Se3 O8 Se4 -132.8(4) . . . . ?
Cs2 Se3 O7 Cs2 -95.70(12) . . . 2_665 ?
Cs2 Se4 O8 Se3 135.1(3) . . . . ?
Cs2 Se4 O10 Cs2 89.85(11) . . . 2_665 ?
Cs2 Se4 O9 Cs1 -100.5(2) . . . . ?
Cs2 Se1 O3 Cs2 -143.5(3) . . . 2_666 ?
Cs2 Se1 O3 Cs2 143.5(3) 2_666 . . . ?
Cs2 Se1 O3 Cs1 -108.1(2) 2_666 . . . ?
Cs2 Se1 O3 Cs1 108.4(3) . . . . ?
Cs2 Se1 O1 Cs1 73.5(3) . . . 2_576 ?
Cs2 Se1 O1 Cs1 151.2(3) 2_666 . . 2_576 ?
Cs2 Se1 O1 Cs1 -26.13(18) . . . . ?
Cs2 Se1 O1 Cs1 51.61(13) 2_666 . . . ?
Cs2 Se1 O2 Cs2 144.91(18) 2_666 . . 2_566 ?
Cs2 Se1 O2 Cs2 1.4(3) 2_666 . . . ?
Cs2 Se1 O2 Cs2 143.5(3) . . . 2_566 ?
Cs1 Se1 O3 Cs2 -108.4(3) . . . . ?
Cs1 Se1 O3 Cs2 108.1(2) . . . 2_666 ?
Cs1 Se1 O1 Cs1 99.6(3) . . . 2_576 ?
Cs1 Se1 O2 Cs2 63.19(8) . . . . ?
Cs1 Se1 O2 Cs2 -153.4(3) . . . 2_566 ?
O6 Se3 O8 Cs2 14.26(17) . . . . ?
O6 Se3 O8 Se4 -118.5(3) . . . . ?
O6 Se3 O7 Cs2 -144.14(16) . . . 2_665 ?
O6 Se2 O5 Cs1 -159.1(2) . . . 1_455 ?
O6 Se2 O4 Cs1 77.7(3) . . . . ?
O6 Se2 O4 Cs1 175.26(15) . . . 2_576 ?
O5 Se2 O6 Cs2 -92.60(19) . . . . ?
O5 Se2 O6 Se3 134.7(3) . . . . ?
O5 Se2 O4 Cs1 171.8(2) . . . . ?
O5 Se2 O4 Cs1 -90.71(18) . . . 2_576 ?
O8 Se3 O6 Cs2 -13.14(16) . . . . ?
O8 Se3 O6 Se2 123.5(3) . . . . ?
O8 Se3 O7 Cs2 -51.98(19) . . . 2_665 ?
O8 Se4 O10 Cs2 41.94(17) . . . 2_665 ?
O8 Se4 O9 Cs2 11.32(18) . . . . ?
O8 Se4 O9 Cs1 -89.1(2) . . . . ?
O3 Se1 O1 Cs1 110.9(3) . . . 2_576 ?
O3 Se1 O1 Cs1 11.4(2) . . . . ?
O3 Se1 O2 Cs2 15.46(18) . . . . ?
O3 Se1 O2 Cs2 158.9(3) . . . 2_566 ?
O1 Se1 O3 Cs2 95.8(2) . . . 2_666 ?
O1 Se1 O3 Cs2 -120.6(2) . . . . ?
O1 Se1 O3 Cs1 -12.3(2) . . . . ?
O1 Se1 O2 Cs2 -100.3(3) . . . 2_566 ?
O1 Se1 O2 Cs2 116.27(16) . . . . ?
O10 Se4 O8 Cs2 92.04(18) . . . . ?
O10 Se4 O8 Se3 -132.9(3) . . . . ?
O10 Se4 O9 Cs2 -83.41(18) . . . . ?
O10 Se4 O9 Cs1 176.13(19) . . . . ?
O7 Se3 O6 Cs2 84.53(19) . . . . ?
O7 Se3 O6 Se2 -138.8(3) . . . . ?
O7 Se3 O8 Cs2 -84.8(2) . . . . ?
O7 Se3 O8 Se4 142.4(3) . . . . ?
O4 Se2 O6 Cs2 6.9(2) . . . . ?
O4 Se2 O6 Se3 -125.8(3) . . . . ?
O4 Se2 O5 Cs1 100.5(2) . . . 1_455 ?
O9 Se4 O8 Cs2 -11.72(19) . . . . ?
O9 Se4 O8 Se3 123.3(3) . . . . ?
O9 Se4 O10 Cs2 139.60(16) . . . 2_665 ?
O2 Se1 O3 Cs2 -166.3(2) . . . 2_666 ?
O2 Se1 O3 Cs2 -22.7(3) . . . . ?
O2 Se1 O3 Cs1 85.6(2) . . . . ?
O2 Se1 O1 Cs1 -93.1(2) . . . . ?
O2 Se1 O1 Cs1 6.5(4) . . . 2_576 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.780
_oxdiff_exptl_absorpt_empirical_full_min 0.464
