# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2023

####################################################################### 
# 
# 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. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2241751'
loop_
_audit_author_name
_audit_author_address
xujunxin
;University of Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-02-14 deposited with the CCDC.	2023-03-22 downloaded from the CCDC.
;
_audit_creation_date             2022-04-15
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Li2 O8 Rb S2, H4 N'
_chemical_formula_sum            'H4 Li2 N O8 Rb S2'
_chemical_formula_weight         309.51
_chemical_absolute_configuration syn
_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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   8.751(4)
_cell_length_b                   9.112(4)
_cell_length_c                   5.291(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     421.9(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1685
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5010
_cell_measurement_theta_min      2.2257
_shelx_estimated_absorpt_T_max   0.448
_shelx_estimated_absorpt_T_min   0.251
_exptl_absorpt_coefficient_mu    6.376
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.6396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.436
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             300
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            2518
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.228
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.783
_reflns_Friedel_fraction_full    0.982
_reflns_Friedel_fraction_max     0.982
_reflns_number_gt                684
_reflns_number_total             740
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.276
_refine_diff_density_min         -0.340
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.08(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         740
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0320
_refine_ls_restrained_S_all      0.980
_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)+(0.0374P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0725
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.92(3)
 0.08(3)
2. Fixed Uiso
 At 1.2 times of:
  All N(H,H,H,H) groups
3. Shared sites
{Rb1, N1}
4. Uiso/Uaniso restraints and constraints
Uanis(Rb1) = Uanis(N1)
5. Others
 Fixed Sof: Rb1(0.5) N1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) H1D(0.5)
6.a Riding coordinates:
 N1(H1A,H1B,H1C), N1(H1D)
;
_atom_sites_solution_hydrogens   difmap
_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
Rb1 Rb 0.49920(10) 0.71746(10) 0.4548(3) 0.0265(3) Uani 0.5 1 d . . P A 1
S1 S 0.20366(13) 0.41651(12) 0.4478(6) 0.0154(3) Uani 1 1 d . . . . .
O1 O 0.2600(5) 0.4457(4) 0.7051(11) 0.0304(11) Uani 1 1 d . . . . .
O2 O 0.0383(4) 0.4073(6) 0.450(2) 0.0536(13) Uani 1 1 d . . . . .
O3 O 0.2674(6) 0.2801(5) 0.3545(11) 0.0440(15) Uani 1 1 d . . . . .
O4 O 0.2524(5) 0.5349(5) 0.2805(11) 0.0346(13) Uani 1 1 d . . . . .
N1 N 0.49920(10) 0.71746(10) 0.4548(3) 0.0265(3) Uani 0.5 1 d . . P B 2
H1A H 0.549017 0.753920 0.322129 0.032 Uiso 0.5 1 d R U P B 2
H1B H 0.461907 0.790180 0.547499 0.032 Uiso 0.5 1 d R U P B 2
H1C H 0.563167 0.663760 0.547499 0.032 Uiso 0.5 1 d R U P B 2
H1D H 0.420047 0.659880 0.402769 0.032 Uiso 0.5 1 d R U P B 2
Li1 Li 0.3214(9) 0.0855(9) 0.448(5) 0.0212(17) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rb1 O1 2.897(4) 2_664 ?
Rb1 O1 3.349(5) 4_554 ?
Rb1 O1 3.503(5) . ?
Rb1 O2 3.157(10) 4 ?
Rb1 O2 3.436(6) 3_565 ?
Rb1 O2 3.199(9) 4_554 ?
Rb1 O3 2.940(6) 2_665 ?
Rb1 O3 3.201(6) 4 ?
Rb1 O4 3.295(5) 3_565 ?
Rb1 O4 2.878(4) . ?
Rb1 Li1 3.534(19) 2_665 ?
Rb1 Li1 3.591(19) 2_664 ?
S1 O1 1.472(5) . ?
S1 O2 1.449(4) . ?
S1 O3 1.449(4) . ?
S1 O4 1.459(5) . ?
O1 Li1 1.94(2) 4 ?
O2 Li1 1.899(9) 3_455 ?
O3 Li1 1.901(10) . ?
O4 Li1 1.93(3) 4_554 ?
N1 H1A 0.8904 . ?
N1 H1B 0.8868 . ?
N1 H1C 0.8908 . ?
N1 H1D 0.9114 . ?

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
O1 Rb1 O1 100.57(4) 4_554 . ?
O1 Rb1 O1 104.13(10) 2_664 . ?
O1 Rb1 O1 129.2(2) 2_664 4_554 ?
O1 Rb1 O2 137.32(15) 2_664 4 ?
O1 Rb1 O2 56.40(12) 4_554 3_565 ?
O1 Rb1 O2 88.37(18) 2_664 4_554 ?
O1 Rb1 O2 115.77(15) 2_664 3_565 ?
O1 Rb1 O3 80.02(15) 2_664 2_665 ?
O1 Rb1 O3 157.36(14) 2_664 4 ?
O1 Rb1 O4 74.62(14) 2_664 3_565 ?
O1 Rb1 Li1 71.98(16) 4_554 2_664 ?
O1 Rb1 Li1 66.30(15) 2_664 2_664 ?
O1 Rb1 Li1 110.2(3) . 2_665 ?
O1 Rb1 Li1 105.9(2) 2_664 2_665 ?
O1 Rb1 Li1 106.04(19) 4_554 2_665 ?
O1 Rb1 Li1 153.8(2) . 2_664 ?
O2 Rb1 O1 85.21(14) 4 4_554 ?
O2 Rb1 O1 129.55(13) 4_554 . ?
O2 Rb1 O1 90.65(16) 4 . ?
O2 Rb1 O1 42.73(13) 4_554 4_554 ?
O2 Rb1 O1 139.98(16) 3_565 . ?
O2 Rb1 O2 112.70(17) 4 4_554 ?
O2 Rb1 O2 57.72(11) 4_554 3_565 ?
O2 Rb1 O2 58.08(12) 4 3_565 ?
O2 Rb1 O3 43.77(12) 4 4 ?
O2 Rb1 O3 112.36(15) 4_554 4 ?
O2 Rb1 O4 85.80(14) 4 3_565 ?
O2 Rb1 O4 57.65(13) 4_554 3_565 ?
O2 Rb1 Li1 56.9(3) 3_565 2_664 ?
O2 Rb1 Li1 32.4(2) 4 2_665 ?
O2 Rb1 Li1 57.0(3) 3_565 2_665 ?
O2 Rb1 Li1 31.8(2) 4_554 2_664 ?
O2 Rb1 Li1 112.8(3) 4_554 2_665 ?
O2 Rb1 Li1 113.1(3) 4 2_664 ?
O3 Rb1 O1 69.88(13) 4 4_554 ?
O3 Rb1 O1 138.55(12) 2_665 4_554 ?
O3 Rb1 O1 55.98(11) 4 . ?
O3 Rb1 O1 98.52(15) 2_665 . ?
O3 Rb1 O2 58.06(13) 2_665 4 ?
O3 Rb1 O2 84.26(15) 4 3_565 ?
O3 Rb1 O2 85.91(16) 2_665 3_565 ?
O3 Rb1 O2 131.90(15) 2_665 4_554 ?
O3 Rb1 O3 91.69(17) 2_665 4 ?
O3 Rb1 O4 123.58(13) 4 3_565 ?
O3 Rb1 O4 74.28(14) 2_665 3_565 ?
O3 Rb1 Li1 32.53(15) 2_665 2_665 ?
O3 Rb1 Li1 75.3(2) 4 2_665 ?
O3 Rb1 Li1 136.34(16) 4 2_664 ?
O3 Rb1 Li1 103.3(3) 2_665 2_664 ?
O4 Rb1 O1 42.61(12) . . ?
O4 Rb1 O1 74.01(14) . 4_554 ?
O4 Rb1 O1 172.80(15) 3_565 . ?
O4 Rb1 O1 85.40(10) 3_565 4_554 ?
O4 Rb1 O1 95.91(15) . 2_664 ?
O4 Rb1 O2 130.37(14) . 3_565 ?
O4 Rb1 O2 88.18(17) . 4_554 ?
O4 Rb1 O2 120.32(15) . 4 ?
O4 Rb1 O2 41.35(12) 3_565 3_565 ?
O4 Rb1 O3 139.11(17) . 2_665 ?
O4 Rb1 O3 76.58(15) . 4 ?
O4 Rb1 O4 144.2(2) . 3_565 ?
O4 Rb1 Li1 63.9(4) 3_565 2_665 ?
O4 Rb1 Li1 32.2(3) 3_565 2_664 ?
O4 Rb1 Li1 112.2(3) . 2_664 ?
O4 Rb1 Li1 149.7(2) . 2_665 ?
Li1 Rb1 Li1 95.9(2) 2_665 2_664 ?
Rb1 S1 Rb1 132.85(10) 4_545 . ?
Rb1 S1 Rb1 102.45(6) 4_544 3_465 ?
Rb1 S1 Rb1 125.44(8) 3_465 2_665 ?
Rb1 S1 Rb1 76.43(5) . 2_665 ?
Rb1 S1 Rb1 85.28(5) 2_664 2_665 ?
Rb1 S1 Rb1 92.37(5) 4_544 4_545 ?
Rb1 S1 Rb1 126.91(8) 3_465 2_664 ?
Rb1 S1 Rb1 131.08(4) 4_544 2_665 ?
Rb1 S1 Rb1 70.72(7) 4_545 2_665 ?
Rb1 S1 Rb1 134.76(10) 4_544 . ?
Rb1 S1 Rb1 71.53(4) . 3_465 ?
Rb1 S1 Rb1 130.99(4) 4_545 2_664 ?
Rb1 S1 Rb1 71.83(7) 4_544 2_664 ?
Rb1 S1 Rb1 77.04(5) . 2_664 ?
Rb1 S1 Rb1 101.45(6) 4_545 3_465 ?
O1 S1 Rb1 68.3(2) . . ?
O1 S1 Rb1 65.0(2) . 4_545 ?
O1 S1 Rb1 89.44(16) . 3_465 ?
O1 S1 Rb1 156.4(2) . 4_544 ?
O1 S1 Rb1 37.19(17) . 2_665 ?
O1 S1 Rb1 117.0(2) . 2_664 ?
O2 S1 Rb1 59.3(4) . 4_544 ?
O2 S1 Rb1 131.0(4) . 2_664 ?
O2 S1 Rb1 136.6(2) . . ?
O2 S1 Rb1 59.1(4) . 4_545 ?
O2 S1 Rb1 65.1(2) . 3_465 ?
O2 S1 Rb1 129.6(4) . 2_665 ?
O2 S1 O1 109.7(5) . . ?
O2 S1 O4 109.8(4) . . ?
O3 S1 Rb1 73.2(2) . 2_665 ?
O3 S1 Rb1 61.1(2) . 4_544 ?
O3 S1 Rb1 160.2(2) . 3_465 ?
O3 S1 Rb1 111.3(2) . . ?
O3 S1 Rb1 90.6(2) . 4_545 ?
O3 S1 Rb1 40.8(2) . 2_664 ?
O3 S1 O1 109.9(3) . . ?
O3 S1 O2 109.7(4) . . ?
O3 S1 O4 108.3(3) . . ?
O4 S1 Rb1 68.2(2) . 2_664 ?
O4 S1 Rb1 42.9(2) . . ?
O4 S1 Rb1 94.4(2) . 4_544 ?
O4 S1 Rb1 160.8(2) . 4_545 ?
O4 S1 Rb1 116.76(19) . 2_665 ?
O4 S1 Rb1 59.5(2) . 3_465 ?
O4 S1 O1 109.2(3) . . ?
Rb1 O1 Rb1 173.21(14) 4_545 . ?
Rb1 O1 Rb1 95.78(13) 2_665 . ?
Rb1 O1 Rb1 89.66(13) 2_665 4_545 ?
S1 O1 Rb1 124.9(2) . 2_665 ?
S1 O1 Rb1 88.7(2) . . ?
S1 O1 Rb1 91.5(2) . 4_545 ?
S1 O1 Li1 127.3(6) . 4 ?
Li1 O1 Rb1 107.6(7) 4 2_665 ?
Li1 O1 Rb1 84.2(4) 4 4_545 ?
Li1 O1 Rb1 90.3(4) 4 . ?
Rb1 O2 Rb1 121.4(3) 4_545 3_465 ?
Rb1 O2 Rb1 122.8(3) 4_544 3_465 ?
Rb1 O2 Rb1 112.70(17) 4_544 4_545 ?
S1 O2 Rb1 97.4(4) . 4_544 ?
S1 O2 Rb1 98.1(4) . 4_545 ?
S1 O2 Rb1 92.4(2) . 3_465 ?
S1 O2 Li1 174.6(5) . 3_455 ?
Li1 O2 Rb1 84.8(8) 3_455 4_544 ?
Li1 O2 Rb1 85.5(8) 3_455 4_545 ?
Li1 O2 Rb1 82.3(3) 3_455 3_465 ?
Rb1 O3 Rb1 91.85(18) 2_664 4_544 ?
S1 O3 Rb1 120.4(3) . 2_664 ?
S1 O3 Rb1 95.6(2) . 4_544 ?
S1 O3 Li1 143.9(9) . . ?
Li1 O3 Rb1 100.7(6) . 4_544 ?
Li1 O3 Rb1 91.2(6) . 2_664 ?
Rb1 O4 Rb1 167.6(2) 3_465 2_664 ?
Rb1 O4 Rb1 91.08(14) . 3_465 ?
Rb1 O4 Rb1 93.99(14) . 2_664 ?
S1 O4 Rb1 89.7(2) . 2_664 ?
S1 O4 Rb1 116.9(3) . . ?
S1 O4 Rb1 98.0(3) . 3_465 ?
S1 O4 Li1 129.2(4) . 4_554 ?
Li1 O4 Rb1 113.9(3) 4_554 . ?
Li1 O4 Rb1 85.3(5) 4_554 2_664 ?
Li1 O4 Rb1 82.3(4) 4_554 3_465 ?
H1A N1 H1B 109.7 . . ?
H1A N1 H1C 109.4 . . ?
H1A N1 H1D 110.4 . . ?
H1B N1 H1C 109.7 . . ?
H1B N1 H1D 108.5 . . ?
H1C N1 H1D 109.1 . . ?
Rb1 Li1 Rb1 70.1(4) 2_665 4_545 ?
Rb1 Li1 Rb1 95.9(2) 2_664 2_665 ?
Rb1 Li1 Rb1 106.4(4) 2_664 1_545 ?
Rb1 Li1 Rb1 73.0(2) 3_455 4_545 ?
Rb1 Li1 Rb1 71.3(4) 2_664 4_544 ?
Rb1 Li1 Rb1 129.9(2) 2_665 4_544 ?
Rb1 Li1 Rb1 130.9(6) 2_665 3_455 ?
Rb1 Li1 Rb1 81.82(16) 4_544 4_545 ?
Rb1 Li1 Rb1 123.5(5) 1_545 4_545 ?
Rb1 Li1 Rb1 105.2(4) 2_665 1_545 ?
Rb1 Li1 Rb1 124.9(5) 1_545 4_544 ?
Rb1 Li1 Rb1 132.8(6) 2_664 3_455 ?
Rb1 Li1 Rb1 70.50(14) 1_545 3_455 ?
Rb1 Li1 Rb1 130.0(2) 2_664 4_545 ?
Rb1 Li1 Rb1 73.5(2) 3_455 4_544 ?
O1 Li1 Rb1 64.3(3) 4_544 1_545 ?
O1 Li1 Rb1 60.7(5) 4_544 4_544 ?
O1 Li1 Rb1 44.4(3) 4_544 3_455 ?
O1 Li1 Rb1 112.1(4) 4_544 4_545 ?
O1 Li1 Rb1 90.5(9) 4_544 2_664 ?
O1 Li1 Rb1 169.0(7) 4_544 2_665 ?
O2 Li1 Rb1 62.7(6) 3 2_665 ?
O2 Li1 Rb1 62.8(6) 3 2_664 ?
O2 Li1 Rb1 137.6(4) 3 3_455 ?
O2 Li1 Rb1 132.5(10) 3 4_545 ?
O2 Li1 Rb1 67.1(3) 3 1_545 ?
O2 Li1 Rb1 133.8(10) 3 4_544 ?
O2 Li1 O1 113.2(9) 3 4_544 ?
O2 Li1 O3 102.6(5) 3 . ?
O2 Li1 O4 109.7(12) 3 4_545 ?
O3 Li1 Rb1 73.9(6) . 4_545 ?
O3 Li1 Rb1 51.6(5) . 4_544 ?
O3 Li1 Rb1 118.5(4) . 3_455 ?
O3 Li1 Rb1 162.5(10) . 1_545 ?
O3 Li1 Rb1 56.3(6) . 2_664 ?
O3 Li1 Rb1 80.5(6) . 2_665 ?
O3 Li1 O1 110.5(11) . 4_544 ?
O3 Li1 O4 112.1(9) . 4_545 ?
O4 Li1 Rb1 160.5(7) 4_545 2_664 ?
O4 Li1 Rb1 65.5(3) 4_545 3_455 ?
O4 Li1 Rb1 85.1(4) 4_545 1_545 ?
O4 Li1 Rb1 40.3(3) 4_545 4_545 ?
O4 Li1 Rb1 115.5(3) 4_545 4_544 ?
O4 Li1 Rb1 65.4(6) 4_545 2_665 ?
O4 Li1 O1 108.8(5) 4_545 4_544 ?

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 S1 O1 Rb1 72.5(6) 4_544 . . 2_665 ?
Rb1 S1 O1 Rb1 -90.6(3) 2_665 . . 4_545 ?
Rb1 S1 O1 Rb1 173.22(14) . . . 4_545 ?
Rb1 S1 O1 Rb1 -125.09(10) 2_664 . . 4_545 ?
Rb1 S1 O1 Rb1 -18.1(5) 4_544 . . 4_545 ?
Rb1 S1 O1 Rb1 61.70(14) 2_664 . . . ?
Rb1 S1 O1 Rb1 -166.5(3) 3_465 . . 2_665 ?
Rb1 S1 O1 Rb1 90.6(3) 4_545 . . 2_665 ?
Rb1 S1 O1 Rb1 -70.30(7) 3_465 . . . ?
Rb1 S1 O1 Rb1 168.7(4) 4_544 . . . ?
Rb1 S1 O1 Rb1 96.2(3) 2_665 . . . ?
Rb1 S1 O1 Rb1 -96.2(3) . . . 2_665 ?
Rb1 S1 O1 Rb1 -173.22(14) 4_545 . . . ?
Rb1 S1 O1 Rb1 102.92(9) 3_465 . . 4_545 ?
Rb1 S1 O1 Rb1 -34.5(3) 2_664 . . 2_665 ?
Rb1 S1 O1 Li1 -101.9(6) 4_544 . . 4 ?
Rb1 S1 O1 Li1 -174.4(8) 2_665 . . 4 ?
Rb1 S1 O1 Li1 89.4(5) . . . 4 ?
Rb1 S1 O1 Li1 151.1(5) 2_664 . . 4 ?
Rb1 S1 O1 Li1 -83.8(6) 4_545 . . 4 ?
Rb1 S1 O1 Li1 19.1(6) 3_465 . . 4 ?
Rb1 S1 O2 Rb1 -121.4(3) . . . 4_545 ?
Rb1 S1 O2 Rb1 -5.8(4) 2_665 . . 4_545 ?
Rb1 S1 O2 Rb1 5.2(4) 2_664 . . 4_544 ?
Rb1 S1 O2 Rb1 -120.1(3) 2_665 . . 4_544 ?
Rb1 S1 O2 Rb1 0.9(6) . . . 3_465 ?
Rb1 S1 O2 Rb1 -118.3(2) 2_664 . . 3_465 ?
Rb1 S1 O2 Rb1 -114.3(2) 4_545 . . 4_544 ?
Rb1 S1 O2 Rb1 119.5(3) 2_664 . . 4_545 ?
Rb1 S1 O2 Rb1 124.4(4) . . . 4_544 ?
Rb1 S1 O2 Rb1 114.3(2) 4_544 . . 4_545 ?
Rb1 S1 O2 Rb1 116.5(2) 2_665 . . 3_465 ?
Rb1 S1 O2 Rb1 -123.5(3) 4_544 . . 3_465 ?
Rb1 S1 O2 Rb1 122.2(4) 4_545 . . 3_465 ?
Rb1 S1 O2 Rb1 -122.2(4) 3_465 . . 4_545 ?
Rb1 S1 O2 Rb1 123.5(3) 3_465 . . 4_544 ?
Rb1 S1 O3 Rb1 95.4(3) 4_544 . . 2_664 ?
Rb1 S1 O3 Rb1 -35.0(3) . . . 2_664 ?
Rb1 S1 O3 Rb1 -35.9(7) 3_465 . . 4_544 ?
Rb1 S1 O3 Rb1 -95.4(3) 2_664 . . 4_544 ?
Rb1 S1 O3 Rb1 161.96(18) 2_665 . . 4_544 ?
Rb1 S1 O3 Rb1 -130.40(14) . . . 4_544 ?
Rb1 S1 O3 Rb1 -102.6(3) 2_665 . . 2_664 ?
Rb1 S1 O3 Rb1 -172.2(3) 4_545 . . 2_664 ?
Rb1 S1 O3 Rb1 92.35(12) 4_545 . . 4_544 ?
Rb1 S1 O3 Rb1 59.6(8) 3_465 . . 2_664 ?
Rb1 S1 O3 Li1 -116.8(8) 4_544 . . . ?
Rb1 S1 O3 Li1 147.8(10) 2_664 . . . ?
Rb1 S1 O3 Li1 -24.4(8) 4_545 . . . ?
Rb1 S1 O3 Li1 45.2(8) 2_665 . . . ?
Rb1 S1 O3 Li1 -152.7(6) 3_465 . . . ?
Rb1 S1 O3 Li1 112.8(8) . . . . ?
Rb1 S1 O4 Rb1 72.49(17) 2_665 . . 2_664 ?
Rb1 S1 O4 Rb1 -94.3(2) 2_664 . . . ?
Rb1 S1 O4 Rb1 -8.3(7) 4_545 . . 3_465 ?
Rb1 S1 O4 Rb1 170.3(2) 2_664 . . 3_465 ?
Rb1 S1 O4 Rb1 101.89(12) 4_544 . . 3_465 ?
Rb1 S1 O4 Rb1 94.3(2) . . . 2_664 ?
Rb1 S1 O4 Rb1 -117.18(14) 2_665 . . 3_465 ?
Rb1 S1 O4 Rb1 -162.8(2) 4_544 . . . ?
Rb1 S1 O4 Rb1 -178.6(6) 4_545 . . 2_664 ?
Rb1 S1 O4 Rb1 -68.45(9) 4_544 . . 2_664 ?
Rb1 S1 O4 Rb1 -170.3(2) 3_465 . . 2_664 ?
Rb1 S1 O4 Rb1 -95.3(3) . . . 3_465 ?
Rb1 S1 O4 Rb1 -21.8(3) 2_665 . . . ?
Rb1 S1 O4 Rb1 95.3(3) 3_465 . . . ?
Rb1 S1 O4 Rb1 87.0(6) 4_545 . . . ?
Rb1 S1 O4 Li1 15.2(7) 4_544 . . 4_554 ?
Rb1 S1 O4 Li1 83.7(7) 2_664 . . 4_554 ?
Rb1 S1 O4 Li1 178.0(8) . . . 4_554 ?
Rb1 S1 O4 Li1 156.2(6) 2_665 . . 4_554 ?
Rb1 S1 O4 Li1 -86.6(6) 3_465 . . 4_554 ?
Rb1 S1 O4 Li1 -95.0(9) 4_545 . . 4_554 ?
O1 S1 O2 Rb1 -156.8(2) . . . 4_544 ?
O1 S1 O2 Rb1 -42.5(3) . . . 4_545 ?
O1 S1 O2 Rb1 79.7(3) . . . 3_465 ?
O1 S1 O3 Rb1 -108.6(3) . . . 2_664 ?
O1 S1 O3 Rb1 155.9(2) . . . 4_544 ?
O1 S1 O3 Li1 39.1(8) . . . . ?
O1 S1 O4 Rb1 -77.4(2) . . . 3_465 ?
O1 S1 O4 Rb1 17.9(4) . . . . ?
O1 S1 O4 Rb1 112.2(2) . . . 2_664 ?
O1 S1 O4 Li1 -164.1(6) . . . 4_554 ?
O2 S1 O1 Rb1 39.7(3) . . . 4_545 ?
O2 S1 O1 Rb1 -133.5(3) . . . . ?
O2 S1 O1 Rb1 130.3(3) . . . 2_665 ?
O2 S1 O1 Li1 -44.1(6) . . . 4 ?
O2 S1 O3 Rb1 35.2(4) . . . 4_544 ?
O2 S1 O3 Rb1 130.6(5) . . . 2_664 ?
O2 S1 O3 Li1 -81.6(9) . . . . ?
O2 S1 O4 Rb1 -127.4(4) . . . 2_664 ?
O2 S1 O4 Rb1 43.0(5) . . . 3_465 ?
O2 S1 O4 Rb1 138.3(4) . . . . ?
O2 S1 O4 Li1 -43.7(8) . . . 4_554 ?
O3 S1 O1 Rb1 -81.1(3) . . . 4_545 ?
O3 S1 O1 Rb1 9.6(4) . . . 2_665 ?
O3 S1 O1 Rb1 105.7(2) . . . . ?
O3 S1 O1 Li1 -164.8(6) . . . 4 ?
O3 S1 O2 Rb1 78.4(4) . . . 4_545 ?
O3 S1 O2 Rb1 -35.9(4) . . . 4_544 ?
O3 S1 O2 Rb1 -159.4(3) . . . 3_465 ?
O3 S1 O4 Rb1 -7.5(3) . . . 2_664 ?
O3 S1 O4 Rb1 162.8(2) . . . 3_465 ?
O3 S1 O4 Rb1 -101.8(3) . . . . ?
O3 S1 O4 Li1 76.2(7) . . . 4_554 ?
O4 S1 O1 Rb1 -13.0(2) . . . . ?
O4 S1 O1 Rb1 160.2(2) . . . 4_545 ?
O4 S1 O1 Rb1 -109.2(3) . . . 2_665 ?
O4 S1 O1 Li1 76.4(6) . . . 4 ?
O4 S1 O2 Rb1 83.1(3) . . . 4_544 ?
O4 S1 O2 Rb1 -40.4(4) . . . 3_465 ?
O4 S1 O2 Rb1 -162.6(3) . . . 4_545 ?
O4 S1 O3 Rb1 10.7(4) . . . 2_664 ?
O4 S1 O3 Rb1 -84.7(3) . . . 4_544 ?
O4 S1 O3 Li1 158.5(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.92(3)
2 0.08(3)

