# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_cboh
_database_code_depnum_ccdc_archive 'CCDC 2414566'
loop_
_audit_author_name
_audit_author_address
'Jinbin Fan'
;Ucas
China
;
_audit_update_record             
;
2025-01-05 deposited with the CCDC.	2025-04-29 downloaded from the CCDC.
;
_audit_creation_date             2024-12-23
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.12.18 svn.re4d4a415 for OlexSys, GUI svn.r7107)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B Cs H2 O3'
_chemical_formula_sum            'B Cs H2 O3'
_chemical_formula_weight         193.74
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'

_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.5268(4)
_cell_length_b                   6.9794(4)
_cell_length_c                   7.8192(4)
_cell_angle_alpha                90
_cell_angle_beta                 113.612(2)
_cell_angle_gamma                90
_cell_volume                     376.37(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4361
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.92
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.656
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4708
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1024 before and 0.0518 after correction.
The Ratio of minimum to maximum transmission is 0.6314.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.419
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             344
_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  0.0393
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6485
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.474
_diffrn_reflns_theta_min         3.175
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_oxdiff_ac3_digest_hkl    41a013c50034a4a9bc1c645ef6e6b5476f6a2a
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                799
_reflns_number_total             864
_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-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5-alpha (Bourhis et al., 2015)'
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       0.0020(6)
_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   1.086
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     55
_refine_ls_number_reflns         864
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0162
_refine_ls_restrained_S_all      1.145
_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)+(0.0149P)²+0.2834P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0388
_refine_ls_wR_factor_ref         0.0396
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 O3-H3 = O1-H1
 0.9 with sigma of 0.01
 H1-O1
 1 with sigma of 0.01
 O3-H3
 1 with sigma of 0.01
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_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 0.15725(3) 0.63894(2) 0.87994(2) 0.02981(10) Uani 1 1 d . . . . .
O3 O 0.1023(3) 0.7408(3) 0.4612(3) 0.0303(5) Uani 1 1 d D . . . .
O2 O 0.4072(4) 0.6032(3) 0.6412(3) 0.0345(5) Uani 1 1 d . . . . .
O1 O 0.2610(3) 0.5555(3) 0.3117(3) 0.0315(5) Uani 1 1 d D . . . .
B1 B 0.2624(5) 0.6333(4) 0.4765(5) 0.0230(6) Uani 1 1 d . . . . .
H3 H 0.025(5) 0.778(6) 0.338(2) 0.054(11) Uiso 1 1 d D . . . .
H1 H 0.379(3) 0.490(6) 0.336(6) 0.072(13) 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
Cs1 O3 3.277(2) 2_546 ?
Cs1 O3 3.259(2) 4_676 ?
Cs1 O3 3.2110(19) . ?
Cs1 O2 3.146(2) . ?
Cs1 O2 3.271(2) 2_556 ?
Cs1 O1 3.196(2) 3_566 ?
Cs1 O1 3.668(2) 2_556 ?
Cs1 O1 3.199(2) 1_556 ?
Cs1 O1 3.529(2) 4_576 ?
Cs1 B1 3.679(3) 2_546 ?
Cs1 B1 3.603(3) 2_556 ?
Cs1 B1 3.547(3) . ?
O3 B1 1.384(4) . ?
O3 H3 0.943(7) . ?
O2 B1 1.329(4) . ?
O1 B1 1.394(4) . ?
O1 H1 0.945(7) . ?

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
O3 Cs1 O3 81.05(4) . 4_676 ?
O3 Cs1 O3 113.59(4) . 2_546 ?
O3 Cs1 O3 77.05(5) 4_676 2_546 ?
O3 Cs1 O2 76.89(5) . 2_556 ?
O3 Cs1 O2 82.81(6) 4_676 2_556 ?
O3 Cs1 O1 120.07(5) 2_546 2_556 ?
O3 Cs1 O1 77.23(5) 4_676 2_556 ?
O3 Cs1 O1 114.45(5) . 2_556 ?
O3 Cs1 O1 87.48(5) . 4_576 ?
O3 Cs1 O1 127.90(5) 4_676 4_576 ?
O3 Cs1 O1 151.02(5) 2_546 4_576 ?
O3 Cs1 B1 70.22(7) 4_676 2_556 ?
O3 Cs1 B1 92.38(6) 2_546 . ?
O3 Cs1 B1 21.98(6) 2_546 2_546 ?
O3 Cs1 B1 134.07(7) 2_546 2_556 ?
O3 Cs1 B1 117.51(6) . 2_546 ?
O3 Cs1 B1 99.03(7) 4_676 2_546 ?
O3 Cs1 B1 22.94(6) . . ?
O3 Cs1 B1 66.32(6) 4_676 . ?
O3 Cs1 B1 92.44(6) . 2_556 ?
O2 Cs1 O3 155.15(6) 2_556 2_546 ?
O2 Cs1 O3 43.62(5) . . ?
O2 Cs1 O3 77.70(5) . 2_546 ?
O2 Cs1 O3 47.48(5) . 4_676 ?
O2 Cs1 O2 99.23(5) . 2_556 ?
O2 Cs1 O1 113.51(6) . 3_566 ?
O2 Cs1 O1 45.13(5) 2_556 4_576 ?
O2 Cs1 O1 39.69(5) 2_556 2_556 ?
O2 Cs1 O1 128.91(5) . 4_576 ?
O2 Cs1 O1 131.34(6) . 1_556 ?
O2 Cs1 O1 118.04(5) . 2_556 ?
O2 Cs1 B1 165.61(7) 2_556 2_546 ?
O2 Cs1 B1 21.86(7) . . ?
O2 Cs1 B1 92.33(7) . 2_546 ?
O2 Cs1 B1 92.72(6) 2_556 . ?
O2 Cs1 B1 21.60(6) 2_556 2_556 ?
O2 Cs1 B1 101.25(7) . 2_556 ?
O1 Cs1 O3 85.16(5) 3_566 . ?
O1 Cs1 O3 92.51(5) 1_556 4_676 ?
O1 Cs1 O3 65.25(5) 1_556 2_546 ?
O1 Cs1 O3 173.51(6) 1_556 . ?
O1 Cs1 O3 160.56(5) 3_566 4_676 ?
O1 Cs1 O3 96.22(5) 3_566 2_546 ?
O1 Cs1 O2 101.67(5) 1_556 2_556 ?
O1 Cs1 O2 107.38(6) 3_566 2_556 ?
O1 Cs1 O1 62.93(3) 1_556 2_556 ?
O1 Cs1 O1 121.27(6) 3_566 2_556 ?
O1 Cs1 O1 64.637(17) 3_566 4_576 ?
O1 Cs1 O1 95.96(5) 1_556 4_576 ?
O1 Cs1 O1 101.28(5) 3_566 1_556 ?
O1 Cs1 O1 61.94(6) 4_576 2_556 ?
O1 Cs1 B1 110.39(6) 4_576 . ?
O1 Cs1 B1 152.81(7) 1_556 . ?
O1 Cs1 B1 96.15(6) 3_566 . ?
O1 Cs1 B1 84.61(6) 1_556 2_556 ?
O1 Cs1 B1 126.57(6) 2_556 2_546 ?
O1 Cs1 B1 64.06(6) 1_556 2_546 ?
O1 Cs1 B1 130.65(6) 4_576 2_546 ?
O1 Cs1 B1 124.29(6) 3_566 2_556 ?
O1 Cs1 B1 75.31(7) 3_566 2_546 ?
O1 Cs1 B1 59.65(6) 4_576 2_556 ?
B1 Cs1 O1 123.71(5) . 2_556 ?
B1 Cs1 O1 22.09(6) 2_556 2_556 ?
B1 Cs1 B1 146.80(10) 2_556 2_546 ?
B1 Cs1 B1 102.62(7) . 2_556 ?
B1 Cs1 B1 101.11(7) . 2_546 ?
Cs1 O3 Cs1 87.62(5) . 4_575 ?
Cs1 O3 Cs1 158.35(6) 2_556 3_566 ?
Cs1 O3 Cs1 80.78(5) 4_575 3_566 ?
Cs1 O3 Cs1 88.59(5) . 2_556 ?
Cs1 O3 Cs1 102.95(5) 4_575 2_556 ?
Cs1 O3 Cs1 112.98(6) . 3_566 ?
Cs1 O3 H3 62(3) 3_566 . ?
Cs1 O3 H3 100(3) 2_556 . ?
Cs1 O3 H3 64(2) 4_575 . ?
Cs1 O3 H3 152(2) . . ?
B1 O3 Cs1 161.44(17) . 4_575 ?
B1 O3 Cs1 82.18(15) . 3_566 ?
B1 O3 Cs1 95.61(16) . 2_556 ?
B1 O3 Cs1 92.29(16) . . ?
B1 O3 H3 113(2) . . ?
Cs1 O2 Cs1 123.03(6) 2_546 4_675 ?
Cs1 O2 Cs1 146.70(7) . 4_675 ?
Cs1 O2 Cs1 89.82(6) . 2_546 ?
Cs1 O2 Cs1 81.39(5) . 2_556 ?
Cs1 O2 Cs1 165.39(8) 2_546 2_556 ?
Cs1 O2 Cs1 65.35(4) 4_675 2_556 ?
B1 O2 Cs1 96.29(18) . . ?
B1 O2 Cs1 93.44(16) . 2_546 ?
B1 O2 Cs1 77.97(16) . 4_675 ?
B1 O2 Cs1 76.08(15) . 2_556 ?
Cs1 O1 Cs1 78.72(5) 3_566 1_554 ?
Cs1 O1 Cs1 118.06(6) 4_675 2_546 ?
Cs1 O1 Cs1 81.15(5) 3_566 2_546 ?
Cs1 O1 Cs1 160.29(7) 3_566 4_675 ?
Cs1 O1 Cs1 83.33(5) 1_554 4_675 ?
Cs1 O1 Cs1 138.05(6) 1_554 2_546 ?
Cs1 O1 H1 97(3) 1_554 . ?
Cs1 O1 H1 66(3) 2_546 . ?
Cs1 O1 H1 66(3) 4_675 . ?
Cs1 O1 H1 124(3) 3_566 . ?
B1 O1 Cs1 76.34(14) . 2_546 ?
B1 O1 Cs1 144.36(17) . 1_554 ?
B1 O1 Cs1 86.08(16) . 4_675 ?
B1 O1 Cs1 103.90(17) . 3_566 ?
B1 O1 H1 110(3) . . ?
Cs1 B1 Cs1 115.22(9) 2_546 4_675 ?
Cs1 B1 Cs1 74.64(5) 2_546 3_566 ?
Cs1 B1 Cs1 124.53(9) 4_675 3_566 ?
Cs1 B1 Cs1 77.64(6) . 2_556 ?
Cs1 B1 Cs1 146.80(10) 2_546 2_556 ?
Cs1 B1 Cs1 131.25(9) . 4_675 ?
Cs1 B1 Cs1 66.63(5) 2_556 4_675 ?
Cs1 B1 Cs1 104.06(8) . 3_566 ?
Cs1 B1 Cs1 133.90(9) 2_556 3_566 ?
Cs1 B1 Cs1 78.64(6) . 2_546 ?
O3 B1 Cs1 64.77(15) . . ?
O3 B1 Cs1 119.44(16) . 4_675 ?
O3 B1 Cs1 76.56(16) . 3_566 ?
O3 B1 Cs1 125.31(18) . 2_546 ?
O3 B1 Cs1 62.41(14) . 2_556 ?
O3 B1 O1 116.6(3) . . ?
O2 B1 Cs1 64.96(14) . 2_546 ?
O2 B1 Cs1 83.39(15) . 2_556 ?
O2 B1 Cs1 138.90(18) . 3_566 ?
O2 B1 Cs1 61.85(15) . . ?
O2 B1 Cs1 81.49(18) . 4_675 ?
O2 B1 O3 121.1(3) . . ?
O2 B1 O1 122.3(3) . . ?
O1 B1 Cs1 55.13(15) . 3_566 ?
O1 B1 Cs1 71.87(16) . 4_675 ?
O1 B1 Cs1 81.57(14) . 2_546 ?
O1 B1 Cs1 126.51(17) . 2_556 ?
O1 B1 Cs1 154.75(18) . . ?

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
Cs1 O3 B1 Cs1 88.81(6) 2_556 . . . ?
Cs1 O3 B1 Cs1 158.31(6) 3_566 . . 2_556 ?
Cs1 O3 B1 Cs1 122.30(15) 3_566 . . 4_675 ?
Cs1 O3 B1 Cs1 -112.88(6) 3_566 . . . ?
Cs1 O3 B1 Cs1 145.8(4) 4_575 . . 4_675 ?
Cs1 O3 B1 Cs1 53.08(19) . . . 2_546 ?
Cs1 O3 B1 Cs1 23.5(5) 4_575 . . 3_566 ?
Cs1 O3 B1 Cs1 -36.2(7) 4_575 . . 2_546 ?
Cs1 O3 B1 Cs1 -124.82(14) . . . 4_675 ?
Cs1 O3 B1 Cs1 141.89(16) 2_556 . . 2_546 ?
Cs1 O3 B1 Cs1 -36.02(17) 2_556 . . 4_675 ?
Cs1 O3 B1 Cs1 -59.80(17) 3_566 . . 2_546 ?
Cs1 O3 B1 Cs1 112.88(6) . . . 3_566 ?
Cs1 O3 B1 Cs1 -88.81(6) . . . 2_556 ?
Cs1 O3 B1 Cs1 -158.31(6) 2_556 . . 3_566 ?
Cs1 O3 B1 Cs1 -178.1(6) 4_575 . . 2_556 ?
Cs1 O3 B1 Cs1 -89.3(5) 4_575 . . . ?
Cs1 O3 B1 O2 -26.6(3) . . . . ?
Cs1 O3 B1 O2 62.2(3) 2_556 . . . ?
Cs1 O3 B1 O2 -116.0(5) 4_575 . . . ?
Cs1 O3 B1 O2 -139.5(3) 3_566 . . . ?
Cs1 O3 B1 O1 151.9(2) . . . . ?
Cs1 O3 B1 O1 39.0(2) 3_566 . . . ?
Cs1 O3 B1 O1 62.6(6) 4_575 . . . ?
Cs1 O3 B1 O1 -119.3(2) 2_556 . . . ?
Cs1 O2 B1 Cs1 -123.06(6) 2_546 . . 4_675 ?
Cs1 O2 B1 Cs1 146.75(7) . . . 4_675 ?
Cs1 O2 B1 Cs1 -79.48(6) 2_556 . . . ?
Cs1 O2 B1 Cs1 67.27(4) 2_556 . . 4_675 ?
Cs1 O2 B1 Cs1 -169.68(6) 2_556 . . 2_546 ?
Cs1 O2 B1 Cs1 -78.8(3) . . . 3_566 ?
Cs1 O2 B1 Cs1 123.06(6) 4_675 . . 2_546 ?
Cs1 O2 B1 Cs1 11.4(3) 2_546 . . 3_566 ?
Cs1 O2 B1 Cs1 -67.27(4) 4_675 . . 2_556 ?
Cs1 O2 B1 Cs1 134.4(3) 4_675 . . 3_566 ?
Cs1 O2 B1 Cs1 -146.75(7) 4_675 . . . ?
Cs1 O2 B1 Cs1 79.48(6) . . . 2_556 ?
Cs1 O2 B1 Cs1 -90.19(8) . . . 2_546 ?
Cs1 O2 B1 Cs1 -158.3(3) 2_556 . . 3_566 ?
Cs1 O2 B1 Cs1 169.68(6) 2_546 . . 2_556 ?
Cs1 O2 B1 Cs1 90.19(8) 2_546 . . . ?
Cs1 O2 B1 O3 -52.1(2) 2_556 . . . ?
Cs1 O2 B1 O3 117.6(2) 2_546 . . . ?
Cs1 O2 B1 O3 -119.4(2) 4_675 . . . ?
Cs1 O2 B1 O3 27.4(3) . . . . ?
Cs1 O2 B1 O1 -151.1(2) . . . . ?
Cs1 O2 B1 O1 62.2(2) 4_675 . . . ?
Cs1 O2 B1 O1 -60.9(3) 2_546 . . . ?
Cs1 O2 B1 O1 129.4(3) 2_556 . . . ?
Cs1 O1 B1 Cs1 120.12(5) 2_546 . . 4_675 ?
Cs1 O1 B1 Cs1 167.1(3) 1_554 . . 2_546 ?
Cs1 O1 B1 Cs1 40.39(19) 4_675 . . 2_556 ?
Cs1 O1 B1 Cs1 -77.10(8) 2_546 . . 3_566 ?
Cs1 O1 B1 Cs1 -122.39(17) 3_566 . . 2_556 ?
Cs1 O1 B1 Cs1 162.77(9) 4_675 . . 3_566 ?
Cs1 O1 B1 Cs1 -162.77(9) 3_566 . . 4_675 ?
Cs1 O1 B1 Cs1 38.5(5) 3_566 . . . ?
Cs1 O1 B1 Cs1 -120.12(5) 4_675 . . 2_546 ?
Cs1 O1 B1 Cs1 128.4(4) 1_554 . . . ?
Cs1 O1 B1 Cs1 -32.4(4) 1_554 . . 2_556 ?
Cs1 O1 B1 Cs1 -158.8(5) 4_675 . . . ?
Cs1 O1 B1 Cs1 160.5(2) 2_546 . . 2_556 ?
Cs1 O1 B1 Cs1 -38.6(4) 2_546 . . . ?
Cs1 O1 B1 Cs1 -72.8(3) 1_554 . . 4_675 ?
Cs1 O1 B1 Cs1 77.10(8) 3_566 . . 2_546 ?
Cs1 O1 B1 Cs1 90.0(3) 1_554 . . 3_566 ?
Cs1 O1 B1 O3 -125.4(2) 2_546 . . . ?
Cs1 O1 B1 O3 -48.3(2) 3_566 . . . ?
Cs1 O1 B1 O3 114.5(2) 4_675 . . . ?
Cs1 O1 B1 O3 41.7(4) 1_554 . . . ?
Cs1 O1 B1 O2 -139.8(2) 1_554 . . . ?
Cs1 O1 B1 O2 53.1(2) 2_546 . . . ?
Cs1 O1 B1 O2 130.3(2) 3_566 . . . ?
Cs1 O1 B1 O2 -67.0(3) 4_675 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
