# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_2_a
_database_code_depnum_ccdc_archive 'CCDC 2042549'
loop_
_audit_author_name
_audit_author_address
'Qi-Ming Qiu'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2021-08-04 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C2 H6 B12 K Li Na8 O30'
_chemical_formula_weight         869.75

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 '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'
B B 0.0013 0.0007 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   9.6060(3)
_cell_length_b                   9.6060(3)
_cell_length_c                   23.5219(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1879.70(16)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3955
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      30.46

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.305
_exptl_crystal_F_000             1284
_exptl_transmission_factor_min   0.8916
_exptl_transmission_factor_max   1.0000
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.489
_shelx_estimated_absorpt_T_min   0.944
_shelx_estimated_absorpt_T_max   0.962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8704
_diffrn_reflns_av_unetI/netI     0.0142
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.597
_diffrn_reflns_theta_max         31.378
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1325
_reflns_number_gt                1238
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0378P)²+5.2306P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1325
_refine_ls_number_parameters     87
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.0899
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
K K 0.666667 0.333333 0.833333 0.0315(2) Uani 1 6 d S T P . .
Na1 Na 0.666667 0.333333 0.66065(5) 0.0189(2) Uani 1 3 d S T P . .
Na2 Na 0.31274(10) 0.38088(8) 0.78406(3) 0.02602(18) Uani 1 1 d . . . . .
O3 O 0.58725(12) 0.50312(11) 0.71078(4) 0.0140(2) Uani 1 1 d . . . . .
O2 O 0.74382(12) 0.79162(11) 0.71102(4) 0.0136(2) Uani 1 1 d . . . . .
O4 O 0.32142(11) 0.45134(12) 0.69414(4) 0.0131(2) Uani 1 1 d . . . . .
O1 O 0.78193(13) 0.63418(12) 0.78052(5) 0.0169(2) Uani 1 1 d D . . . .
H1 H 0.846(3) 0.7197(19) 0.7951(11) 0.047(8) Uiso 1 1 d D . . . .
O5 O 0.20362(13) 0.52940(13) 0.82828(5) 0.0203(2) Uani 1 1 d . . . . .
C1 C 0.333333 0.666667 0.82860(10) 0.0137(4) Uani 1 3 d S T P . .
B1 B 0.70325(17) 0.64489(17) 0.73278(6) 0.0113(3) Uani 1 1 d . . . . .
B2 B 0.47402(17) 0.49950(17) 0.66681(6) 0.0104(3) Uani 1 1 d . . . . .
Li Li 0.333333 0.666667 0.666667 0.0210(13) Uani 1 6 d S T P . .


_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
K O1 2.8143(10) 18_546 ?
K O1 2.8144(11) 17_556 ?
K O1 2.8144(10) 3_665 ?
K O1 2.8144(10) 16_656 ?
K O1 2.8144(11) 2_655 ?
K O1 2.8144(10) . ?
K Na2 3.8293(8) 17_556 ?
K Na2 3.8293(8) 18_546 ?
K Na2 3.8293(8) 2_655 ?
K Na2 3.8293(8) 3_665 ?
K Na2 3.8294(8) 16_656 ?
K Na2 3.8294(8) . ?
Na1 O3 2.4242(12) . ?
Na1 O3 2.4243(12) 3_665 ?
Na1 O3 2.4243(12) 2_655 ?
Na1 O2 2.4392(11) 15_546 ?
Na1 O2 2.4392(11) 13_666 ?
Na1 O2 2.4392(11) 14_456 ?
Na1 B2 2.9912(14) 3_665 ?
Na1 B2 2.9912(14) 2_655 ?
Na1 B2 2.9912(14) . ?
Na2 O4 2.2095(12) . ?
Na2 O5 2.3899(13) . ?
Na2 O5 2.4670(13) 16_556 ?
Na2 O1 2.5346(13) 2_655 ?
Na2 O5 2.6550(14) 2_665 ?
Na2 O1 2.7842(14) 18_546 ?
Na2 O2 2.7954(13) 3_565 ?
Na2 C1 2.8513(11) . ?
Na2 O3 2.8647(13) . ?
Na2 B2 3.0613(16) 14_456 ?
Na2 B2 3.0886(16) . ?
Na2 Na2 3.3941(15) 16_556 ?
O3 B1 1.3589(17) . ?
O3 B2 1.4888(17) . ?
O2 B1 1.3606(17) . ?
O2 B2 1.4965(17) 15_556 ?
O4 B2 1.4484(17) . ?
O4 B2 1.4527(17) 14_456 ?
O4 Li 2.1148(10) . ?
O1 B1 1.3858(17) . ?
O1 H1 0.815(10) . ?
O5 C1 1.2838(11) . ?
B2 Li 2.5642(14) . ?

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 K O1 102.00(3) 18_546 17_556 ?
O1 K O1 180.00(3) 18_546 3_665 ?
O1 K O1 78.00(3) 17_556 3_665 ?
O1 K O1 102.00(3) 18_546 16_656 ?
O1 K O1 101.99(3) 17_556 16_656 ?
O1 K O1 78.00(3) 3_665 16_656 ?
O1 K O1 78.00(3) 18_546 2_655 ?
O1 K O1 180.0 17_556 2_655 ?
O1 K O1 102.00(3) 3_665 2_655 ?
O1 K O1 78.01(3) 16_656 2_655 ?
O1 K O1 78.01(3) 18_546 . ?
O1 K O1 78.01(3) 17_556 . ?
O1 K O1 101.99(3) 3_665 . ?
O1 K O1 180.0 16_656 . ?
O1 K O1 101.99(3) 2_655 . ?
O1 K Na2 41.43(3) 18_546 17_556 ?
O1 K Na2 70.17(2) 17_556 17_556 ?
O1 K Na2 138.57(3) 3_665 17_556 ?
O1 K Na2 133.49(3) 16_656 17_556 ?
O1 K Na2 109.83(2) 2_655 17_556 ?
O1 K Na2 46.52(3) . 17_556 ?
O1 K Na2 70.17(3) 18_546 18_546 ?
O1 K Na2 133.49(3) 17_556 18_546 ?
O1 K Na2 109.83(3) 3_665 18_546 ?
O1 K Na2 41.43(2) 16_656 18_546 ?
O1 K Na2 46.52(3) 2_655 18_546 ?
O1 K Na2 138.57(3) . 18_546 ?
Na2 K Na2 111.260(10) 17_556 18_546 ?
O1 K Na2 138.57(3) 18_546 2_655 ?
O1 K Na2 109.83(2) 17_556 2_655 ?
O1 K Na2 41.43(3) 3_665 2_655 ?
O1 K Na2 46.51(3) 16_656 2_655 ?
O1 K Na2 70.17(2) 2_655 2_655 ?
O1 K Na2 133.48(3) . 2_655 ?
Na2 K Na2 180.0 17_556 2_655 ?
Na2 K Na2 68.740(10) 18_546 2_655 ?
O1 K Na2 109.83(3) 18_546 3_665 ?
O1 K Na2 46.52(3) 17_556 3_665 ?
O1 K Na2 70.17(3) 3_665 3_665 ?
O1 K Na2 138.57(3) 16_656 3_665 ?
O1 K Na2 133.48(3) 2_655 3_665 ?
O1 K Na2 41.43(3) . 3_665 ?
Na2 K Na2 68.740(10) 17_556 3_665 ?
Na2 K Na2 180.0 18_546 3_665 ?
Na2 K Na2 111.259(10) 2_655 3_665 ?
O1 K Na2 133.49(3) 18_546 16_656 ?
O1 K Na2 41.43(2) 17_556 16_656 ?
O1 K Na2 46.52(3) 3_665 16_656 ?
O1 K Na2 70.17(2) 16_656 16_656 ?
O1 K Na2 138.57(2) 2_655 16_656 ?
O1 K Na2 109.83(2) . 16_656 ?
Na2 K Na2 111.260(10) 17_556 16_656 ?
Na2 K Na2 111.259(10) 18_546 16_656 ?
Na2 K Na2 68.740(10) 2_655 16_656 ?
Na2 K Na2 68.741(10) 3_665 16_656 ?
O1 K Na2 46.52(3) 18_546 . ?
O1 K Na2 138.57(3) 17_556 . ?
O1 K Na2 133.48(3) 3_665 . ?
O1 K Na2 109.83(2) 16_656 . ?
O1 K Na2 41.43(2) 2_655 . ?
O1 K Na2 70.17(2) . . ?
Na2 K Na2 68.742(10) 17_556 . ?
Na2 K Na2 68.742(10) 18_546 . ?
Na2 K Na2 111.258(10) 2_655 . ?
Na2 K Na2 111.259(10) 3_665 . ?
Na2 K Na2 179.998(19) 16_656 . ?
O3 Na1 O3 98.34(4) . 3_665 ?
O3 Na1 O3 98.34(4) . 2_655 ?
O3 Na1 O3 98.34(4) 3_665 2_655 ?
O3 Na1 O2 153.48(4) . 15_546 ?
O3 Na1 O2 98.94(3) 3_665 15_546 ?
O3 Na1 O2 59.29(3) 2_655 15_546 ?
O3 Na1 O2 98.94(3) . 13_666 ?
O3 Na1 O2 59.29(3) 3_665 13_666 ?
O3 Na1 O2 153.48(4) 2_655 13_666 ?
O2 Na1 O2 107.16(4) 15_546 13_666 ?
O3 Na1 O2 59.29(3) . 14_456 ?
O3 Na1 O2 153.47(4) 3_665 14_456 ?
O3 Na1 O2 98.94(3) 2_655 14_456 ?
O2 Na1 O2 107.16(4) 15_546 14_456 ?
O2 Na1 O2 107.16(4) 13_666 14_456 ?
O3 Na1 B2 102.30(4) . 3_665 ?
O3 Na1 B2 29.62(3) 3_665 3_665 ?
O3 Na1 B2 125.84(4) 2_655 3_665 ?
O2 Na1 B2 102.68(4) 15_546 3_665 ?
O2 Na1 B2 29.84(3) 13_666 3_665 ?
O2 Na1 B2 134.56(4) 14_456 3_665 ?
O3 Na1 B2 125.84(4) . 2_655 ?
O3 Na1 B2 102.30(4) 3_665 2_655 ?
O3 Na1 B2 29.62(3) 2_655 2_655 ?
O2 Na1 B2 29.84(3) 15_546 2_655 ?
O2 Na1 B2 134.56(4) 13_666 2_655 ?
O2 Na1 B2 102.68(4) 14_456 2_655 ?
B2 Na1 B2 119.767(6) 3_665 2_655 ?
O3 Na1 B2 29.62(3) . . ?
O3 Na1 B2 125.84(4) 3_665 . ?
O3 Na1 B2 102.30(4) 2_655 . ?
O2 Na1 B2 134.56(4) 15_546 . ?
O2 Na1 B2 102.68(4) 13_666 . ?
O2 Na1 B2 29.84(3) 14_456 . ?
B2 Na1 B2 119.768(6) 3_665 . ?
B2 Na1 B2 119.767(6) 2_655 . ?
O3 Na1 K 60.89(3) . . ?
O3 Na1 K 60.89(3) 3_665 . ?
O3 Na1 K 60.89(3) 2_655 . ?
O2 Na1 K 111.69(3) 15_546 . ?
O2 Na1 K 111.69(3) 13_666 . ?
O2 Na1 K 111.69(3) 14_456 . ?
B2 Na1 K 87.22(4) 3_665 . ?
B2 Na1 K 87.22(4) 2_655 . ?
B2 Na1 K 87.22(4) . . ?
O4 Na2 O5 101.21(5) . . ?
O4 Na2 O5 133.33(5) . 16_556 ?
O5 Na2 O5 91.35(5) . 16_556 ?
O4 Na2 O1 104.23(4) . 2_655 ?
O5 Na2 O1 152.10(5) . 2_655 ?
O5 Na2 O1 62.71(4) 16_556 2_655 ?
O4 Na2 O5 97.81(4) . 2_665 ?
O5 Na2 O5 51.98(5) . 2_665 ?
O5 Na2 O5 124.18(3) 16_556 2_665 ?
O1 Na2 O5 133.64(5) 2_655 2_665 ?
O4 Na2 O1 145.63(5) . 18_546 ?
O5 Na2 O1 82.07(4) . 18_546 ?
O5 Na2 O1 80.22(4) 16_556 18_546 ?
O1 Na2 O1 83.38(5) 2_655 18_546 ?
O5 Na2 O1 57.14(4) 2_665 18_546 ?
O4 Na2 O2 55.24(4) . 3_565 ?
O5 Na2 O2 86.92(4) . 3_565 ?
O5 Na2 O2 81.23(4) 16_556 3_565 ?
O1 Na2 O2 98.25(4) 2_655 3_565 ?
O5 Na2 O2 127.60(4) 2_665 3_565 ?
O1 Na2 O2 158.14(4) 18_546 3_565 ?
O4 Na2 C1 94.76(6) . . ?
O5 Na2 C1 26.53(3) . . ?
O5 Na2 C1 113.36(5) 16_556 . ?
O1 Na2 C1 156.20(5) 2_655 . ?
O5 Na2 C1 26.66(3) 2_665 . ?
O1 Na2 C1 72.88(5) 18_546 . ?
O2 Na2 C1 104.39(4) 3_565 . ?
O4 Na2 O3 54.02(4) . . ?
O5 Na2 O3 127.29(4) . . ?
O5 Na2 O3 140.70(4) 16_556 . ?
O1 Na2 O3 77.99(4) 2_655 . ?
O5 Na2 O3 83.14(4) 2_665 . ?
O1 Na2 O3 96.61(4) 18_546 . ?
O2 Na2 O3 105.08(4) 3_565 . ?
C1 Na2 O3 102.70(4) . . ?
O4 Na2 B2 26.15(4) . 14_456 ?
O5 Na2 B2 96.35(4) . 14_456 ?
O5 Na2 B2 108.49(5) 16_556 14_456 ?
O1 Na2 B2 101.42(4) 2_655 14_456 ?
O5 Na2 B2 115.23(4) 2_665 14_456 ?
O1 Na2 B2 171.22(5) 18_546 14_456 ?
O2 Na2 B2 29.16(3) 3_565 14_456 ?
C1 Na2 B2 101.92(5) . 14_456 ?
O3 Na2 B2 77.42(4) . 14_456 ?
O4 Na2 B2 25.46(4) . . ?
O5 Na2 B2 117.21(5) . . ?
O5 Na2 B2 143.19(5) 16_556 . ?
O1 Na2 B2 90.65(4) 2_655 . ?
O5 Na2 B2 92.49(4) 2_665 . ?
O1 Na2 B2 123.94(4) 18_546 . ?
O2 Na2 B2 77.91(4) 3_565 . ?
C1 Na2 B2 101.09(5) . . ?
O3 Na2 B2 28.65(3) . . ?
B2 Na2 B2 49.28(3) 14_456 . ?
O4 Na2 Na2 129.47(5) . 16_556 ?
O5 Na2 Na2 46.61(3) . 16_556 ?
O5 Na2 Na2 44.74(3) 16_556 16_556 ?
O1 Na2 Na2 106.80(4) 2_655 16_556 ?
O5 Na2 Na2 88.55(4) 2_665 16_556 ?
O1 Na2 Na2 77.25(3) 18_546 16_556 ?
O2 Na2 Na2 81.45(4) 3_565 16_556 ?
C1 Na2 Na2 70.01(4) . 16_556 ?
O3 Na2 Na2 171.49(4) . 16_556 ?
B2 Na2 Na2 107.96(4) 14_456 16_556 ?
B2 Na2 Na2 154.67(5) . 16_556 ?
B1 O3 B2 120.76(11) . . ?
B1 O3 Na1 118.90(8) . . ?
B2 O3 Na1 96.80(7) . . ?
B1 O3 Na2 107.89(8) . . ?
B2 O3 Na2 84.05(7) . . ?
Na1 O3 Na2 123.49(4) . . ?
B1 O2 B2 120.39(11) . 15_556 ?
B1 O2 Na1 129.65(8) . 13_666 ?
B2 O2 Na1 95.96(7) 15_556 13_666 ?
B1 O2 Na2 107.35(8) . 2_665 ?
B2 O2 Na2 85.32(7) 15_556 2_665 ?
Na1 O2 Na2 109.35(4) 13_666 2_665 ?
B2 O4 B2 124.22(7) . 14_456 ?
B2 O4 Li 90.04(7) . . ?
B2 O4 Li 89.93(7) 14_456 . ?
B2 O4 Na2 113.57(8) . . ?
B2 O4 Na2 111.75(8) 14_456 . ?
Li O4 Na2 124.57(5) . . ?
B1 O1 Na2 126.06(9) . 3_665 ?
B1 O1 Na2 116.26(9) . 17_556 ?
Na2 O1 Na2 108.67(4) 3_665 17_556 ?
B1 O1 K 118.99(8) . . ?
Na2 O1 K 91.28(4) 3_665 . ?
Na2 O1 K 86.31(3) 17_556 . ?
B1 O1 H1 115(2) . . ?
Na2 O1 H1 66(2) 3_665 . ?
Na2 O1 H1 58(2) 17_556 . ?
K O1 H1 124.1(19) . . ?
C1 O5 Na2 97.21(8) . . ?
C1 O5 Na2 146.79(13) . 16_556 ?
Na2 O5 Na2 88.65(5) . 16_556 ?
C1 O5 Na2 85.23(7) . 3_565 ?
Na2 O5 Na2 131.07(6) . 3_565 ?
Na2 O5 Na2 115.11(6) 16_556 3_565 ?
O5 C1 O5 119.997(4) 3_565 2_665 ?
O5 C1 O5 119.996(3) 3_565 . ?
O5 C1 O5 119.997(3) 2_665 . ?
O5 C1 Na2 56.26(6) 3_565 3_565 ?
O5 C1 Na2 157.21(15) 2_665 3_565 ?
O5 C1 Na2 68.11(7) . 3_565 ?
O5 C1 Na2 68.11(7) 3_565 2_665 ?
O5 C1 Na2 56.26(6) 2_665 2_665 ?
O5 C1 Na2 157.21(15) . 2_665 ?
Na2 C1 Na2 107.31(5) 3_565 2_665 ?
O5 C1 Na2 157.21(15) 3_565 . ?
O5 C1 Na2 68.11(7) 2_665 . ?
O5 C1 Na2 56.26(6) . . ?
Na2 C1 Na2 107.31(5) 3_565 . ?
Na2 C1 Na2 107.31(5) 2_665 . ?
O3 B1 O2 124.16(12) . . ?
O3 B1 O1 116.01(12) . . ?
O2 B1 O1 119.82(12) . . ?
O4 B2 O4 111.12(12) . 15_556 ?
O4 B2 O3 108.06(11) . . ?
O4 B2 O3 111.31(10) 15_556 . ?
O4 B2 O2 111.48(10) . 14_456 ?
O4 B2 O2 107.45(11) 15_556 14_456 ?
O3 B2 O2 107.38(10) . 14_456 ?
O4 B2 Li 55.56(6) . . ?
O4 B2 Li 55.56(6) 15_556 . ?
O3 B2 Li 126.44(9) . . ?
O2 B2 Li 126.18(9) 14_456 . ?
O4 B2 Na1 130.42(9) . . ?
O4 B2 Na1 118.45(8) 15_556 . ?
O3 B2 Na1 53.59(6) . . ?
O2 B2 Na1 54.20(6) 14_456 . ?
Li B2 Na1 174.00(6) . . ?
O4 B2 Na2 130.39(9) . 15_556 ?
O3 B2 Na2 120.25(8) . 15_556 ?
O2 B2 Na2 65.52(7) 14_456 15_556 ?
Li B2 Na2 85.29(4) . 15_556 ?
Na1 B2 Na2 89.89(5) . 15_556 ?
O4 B2 Na2 130.69(9) 15_556 . ?
O3 B2 Na2 67.30(7) . . ?
O2 B2 Na2 120.18(8) 14_456 . ?
Li B2 Na2 84.72(4) . . ?
Na1 B2 Na2 100.16(5) . . ?
Na2 B2 Na2 169.93(6) 15_556 . ?
O4 Li O4 111.10(2) 15_556 14_456 ?
O4 Li O4 68.90(2) 15_556 . ?
O4 Li O4 68.90(2) 14_456 . ?
O4 Li O4 180.0 15_556 3_565 ?
O4 Li O4 68.90(2) 14_456 3_565 ?
O4 Li O4 111.10(2) . 3_565 ?
O4 Li O4 68.90(2) 15_556 2_665 ?
O4 Li O4 180.0 14_456 2_665 ?
O4 Li O4 111.10(2) . 2_665 ?
O4 Li O4 111.10(2) 3_565 2_665 ?
O4 Li O4 111.10(2) 15_556 13_566 ?
O4 Li O4 111.10(2) 14_456 13_566 ?
O4 Li O4 180.00(5) . 13_566 ?
O4 Li O4 68.90(2) 3_565 13_566 ?
O4 Li O4 68.90(2) 2_665 13_566 ?
O4 Li B2 34.39(4) 15_556 15_556 ?
O4 Li B2 145.49(4) 14_456 15_556 ?
O4 Li B2 90.00(4) . 15_556 ?
O4 Li B2 145.61(4) 3_565 15_556 ?
O4 Li B2 34.51(4) 2_665 15_556 ?
O4 Li B2 90.00(4) 13_566 15_556 ?
O4 Li B2 90.00(4) 15_556 14_456 ?
O4 Li B2 34.39(4) 14_456 14_456 ?
O4 Li B2 34.51(4) . 14_456 ?
O4 Li B2 90.00(4) 3_565 14_456 ?
O4 Li B2 145.61(4) 2_665 14_456 ?
O4 Li B2 145.49(4) 13_566 14_456 ?
B2 Li B2 120.0 15_556 14_456 ?
O4 Li B2 145.61(4) 15_556 3_565 ?
O4 Li B2 34.51(4) 14_456 3_565 ?
O4 Li B2 90.00(4) . 3_565 ?
O4 Li B2 34.39(4) 3_565 3_565 ?
O4 Li B2 145.49(4) 2_665 3_565 ?
O4 Li B2 90.00(4) 13_566 3_565 ?
B2 Li B2 180.0 15_556 3_565 ?
B2 Li B2 59.999(1) 14_456 3_565 ?
O4 Li B2 90.00(4) 15_556 2_665 ?
O4 Li B2 145.61(4) 14_456 2_665 ?
O4 Li B2 145.49(4) . 2_665 ?
O4 Li B2 90.00(4) 3_565 2_665 ?
O4 Li B2 34.39(4) 2_665 2_665 ?
O4 Li B2 34.51(4) 13_566 2_665 ?
B2 Li B2 59.999(1) 15_556 2_665 ?
B2 Li B2 180.0 14_456 2_665 ?
B2 Li B2 120.0 3_565 2_665 ?
O4 Li B2 34.51(4) 15_556 . ?
O4 Li B2 90.00(4) 14_456 . ?
O4 Li B2 34.39(4) . . ?
O4 Li B2 145.49(4) 3_565 . ?
O4 Li B2 90.00(4) 2_665 . ?
O4 Li B2 145.61(4) 13_566 . ?
B2 Li B2 60.001(1) 15_556 . ?
B2 Li B2 60.0 14_456 . ?
B2 Li B2 119.999(1) 3_565 . ?
B2 Li B2 120.000(1) 2_665 . ?
O4 Li B2 145.49(4) 15_556 13_566 ?
O4 Li B2 90.00(4) 14_456 13_566 ?
O4 Li B2 145.61(4) . 13_566 ?
O4 Li B2 34.51(4) 3_565 13_566 ?
O4 Li B2 90.00(4) 2_665 13_566 ?
O4 Li B2 34.39(4) 13_566 13_566 ?
B2 Li B2 119.999(1) 15_556 13_566 ?
B2 Li B2 119.999(1) 14_456 13_566 ?
B2 Li B2 60.0 3_565 13_566 ?
B2 Li B2 60.0 2_665 13_566 ?
B2 Li B2 180.0 . 13_566 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1 H1 O5 0.815(10) 1.816(13) 2.6035(15) 162(3) 18_656 yes

_refine_diff_density_max         1.016
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.072

####################################################################### 
# 
# 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_3_a
_database_code_depnum_ccdc_archive 'CCDC 2042551'
loop_
_audit_author_name
_audit_author_address
'Qi-Ming Qiu'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2021-08-04 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B12 H8 Cs5 Li O25'
_chemical_formula_weight         1209.27

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'
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'
Li Li -0.0003 0.0001 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P c'
_space_group_name_Hall           'P -2yc'

_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.
;

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

_cell_length_a                   9.3037(19)
_cell_length_b                   10.863(2)
_cell_length_c                   13.007(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.316(6)
_cell_angle_gamma                90
_cell_volume                     1306.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    2187
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      26.12

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.074
_exptl_crystal_F_000             1092
_exptl_transmission_factor_min   0.379
_exptl_transmission_factor_max   0.746
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    7.010
_shelx_estimated_absorpt_T_min   0.721
_shelx_estimated_absorpt_T_max   0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            3971
_diffrn_reflns_av_unetI/netI     0.0576
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         1.875
_diffrn_reflns_theta_max         26.158
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measured_fraction_theta_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.521
_diffrn_reflns_point_group_measured_fraction_full 0.533
_reflns_number_total             2716
_reflns_number_gt                2471
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.098
_reflns_Friedel_fraction_max     0.093
_reflns_Friedel_fraction_full    0.102

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0108P)²+99.5817P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.22(12)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2716
_refine_ls_number_parameters     401
_refine_ls_number_restraints     220
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0666
_refine_ls_wR_factor_ref         0.1548
_refine_ls_wR_factor_gt          0.1496
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      0.972
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Li Li 0.416(6) 0.750(5) 0.162(4) 0.019(8) Uani 1 1 d . U . . .
Cs1 Cs 0.3586(2) 0.19457(18) -0.00594(17) 0.0360(6) Uani 1 1 d . U . . .
Cs2 Cs 0.8651(3) 0.0768(3) 0.0179(2) 0.0629(9) Uani 1 1 d . . . . .
Cs3 Cs 0.9097(3) 0.6244(2) -0.1827(2) 0.0382(6) Uani 0.9 1 d . U P . .
Cs4 Cs 0.4532(2) 0.31282(18) 0.31832(16) 0.0318(5) Uani 1 1 d . U . . .
Cs5 Cs 0.9641(3) 0.7234(2) 0.2266(2) 0.0448(6) Uani 1 1 d . U . . .
B1 B 0.218(4) 0.902(3) 0.101(2) 0.014(6) Uani 1 1 d . U . . .
B2 B 0.179(3) 1.029(3) 0.255(2) 0.009(5) Uani 1 1 d . U . . .
B3 B 0.429(3) 0.974(3) 0.228(2) 0.009(6) Uani 1 1 d . U . . .
B4 B 0.687(3) 1.026(3) 0.248(3) 0.015(6) Uani 1 1 d . U . . .
B5 B 0.621(3) 0.814(3) 0.289(2) 0.013(6) Uani 1 1 d . U . . .
B6 B 0.683(4) 0.629(4) 0.400(3) 0.024(7) Uani 1 1 d . U . . .
B7 B 0.598(3) 0.593(3) 0.215(2) 0.011(6) Uani 1 1 d . U . . .
B8 B 0.642(3) 0.465(3) 0.063(2) 0.013(6) Uani 1 1 d . U . . .
B9 B 0.392(4) 0.526(3) 0.087(3) 0.019(7) Uani 1 1 d . U . . .
B10 B 0.133(3) 0.467(3) 0.071(3) 0.013(6) Uani 1 1 d . U . . .
B11 B 0.200(3) 0.687(3) 0.026(2) 0.009(6) Uani 1 1 d . U . . .
B12 B 0.139(4) 0.866(4) -0.085(3) 0.020(7) Uani 1 1 d . U . . .
O1 O 0.118(2) 0.967(2) 0.1713(16) 0.023(5) Uani 1 1 d . U . . .
O2 O 0.366(2) 0.9461(17) 0.1202(15) 0.017(4) Uani 1 1 d . U . . .
O3 O 0.085(2) 1.0838(18) 0.3174(15) 0.015(4) Uani 1 1 d . . . . .
O4 O 0.325(2) 1.0398(18) 0.2827(16) 0.018(4) Uani 1 1 d . U . . .
O5 O 0.472(2) 0.866(2) 0.2845(16) 0.023(5) Uani 1 1 d . U . . .
O6 O 0.548(2) 1.0587(18) 0.2183(16) 0.018(4) Uani 1 1 d . U . . .
O7 O 0.791(2) 1.1143(18) 0.2435(18) 0.025(5) Uani 1 1 d . . . . .
H7 H 0.878139 1.101541 0.244102 0.030 Uiso 1 1 d R U . . .
O8 O 0.730(2) 0.917(2) 0.2782(17) 0.026(5) Uani 1 1 d . . . . .
O9 O 0.660(2) 0.7573(19) 0.3912(14) 0.019(4) Uani 1 1 d . U . . .
O10 O 0.627(2) 0.7274(18) 0.2057(13) 0.015(4) Uani 1 1 d . U . . .
O11 O 0.733(2) 0.5912(18) 0.5000(15) 0.017(4) Uani 1 1 d . U . . .
O12 O 0.654(2) 0.5553(17) 0.3250(14) 0.015(4) Uani 1 1 d . . . . .
O13 O 0.699(2) 0.5279(19) 0.1485(15) 0.021(4) Uani 1 1 d . U . . .
O14 O 0.455(2) 0.5611(17) 0.1935(14) 0.015(4) Uani 1 1 d . U . . .
O15 O 0.497(2) 0.4554(18) 0.0357(15) 0.017(4) Uani 1 1 d . U . . .
O16 O 0.268(2) 0.437(2) 0.0978(16) 0.023(5) Uani 1 1 d . U . . .
O17 O 0.344(2) 0.6309(19) 0.0262(16) 0.018(4) Uani 1 1 d . U . . .
O18 O 0.030(3) 0.380(2) 0.070(2) 0.038(6) Uani 1 1 d . U . . .
H18 H -0.048490 0.393957 0.037307 0.046 Uiso 1 1 d R U . . .
O19 O 0.088(2) 0.5926(17) 0.0353(15) 0.018(4) Uani 1 1 d . . . . .
O20 O 0.164(2) 0.747(2) -0.0778(15) 0.022(5) Uani 1 1 d . U . . .
O21 O 0.196(2) 0.7752(18) 0.1107(15) 0.020(4) Uani 1 1 d . U . . .
O22 O 0.158(2) 0.9535(19) -0.0056(15) 0.019(4) Uani 1 1 d . U . . .
O23 O 0.746(4) 0.755(3) -0.001(3) 0.014(5) Uani 0.5 1 d D U P . .
H23A H 0.666516 0.776750 -0.037827 0.017 Uiso 0.5 1 d DR U P . .
O24 O 0.547(3) 0.057(2) 0.475(2) 0.050(8) Uani 1 1 d . . . . .
H24C H 0.495302 0.057367 0.525422 0.060 Uiso 1 1 d R U . . .
H24D H 0.490683 0.052787 0.419284 0.060 Uiso 1 1 d R U . . .
O25 O 0.242(3) 0.565(3) 0.337(2) 0.053(8) Uani 1 1 d . . . . .
H25A H 0.318071 0.549897 0.377448 0.064 Uiso 1 1 d R U . . .
Cs3A Cs 0.976(3) 0.546(3) -0.197(2) 0.054(8) Uani 0.1 1 d . . P . .
O23A O 0.841(4) 0.764(3) 0.078(3) 0.014(5) Uani 0.5 1 d D U P . .
H23B H 0.788012 0.749017 0.021122 0.017 Uiso 1 1 d DR U . . .


_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
Li O10 1.99(5) . ?
Li O5 2.05(6) . ?
Li O21 2.11(6) . ?
Li O14 2.11(6) . ?
Li O17 2.23(6) . ?
Li O2 2.24(5) . ?
Li B7 2.45(6) . ?
Li B5 2.48(6) . ?
Li B1 2.54(6) . ?
Li B3 2.58(6) . ?
Li B11 2.61(6) . ?
Li B9 2.62(6) . ?
Cs1 O5 3.10(2) 2_564 ?
Cs1 O16 3.12(2) . ?
Cs1 O15 3.135(19) . ?
Cs1 O2 3.156(18) 1_545 ?
Cs1 O22 3.22(2) 1_545 ?
Cs1 O24 3.27(3) 2_554 ?
Cs1 O9 3.282(19) 2_564 ?
Cs1 O25 3.41(3) 2_564 ?
Cs1 O6 3.56(2) 1_545 ?
Cs1 O4 3.74(2) 2_564 ?
Cs1 B1 3.76(3) 1_545 ?
Cs1 B9 3.80(3) . ?
Cs2 O9 2.98(2) 2_564 ?
Cs2 O22 3.08(2) 1_645 ?
Cs2 O7 3.11(2) 1_545 ?
Cs2 O1 3.15(2) 1_645 ?
Cs2 O8 3.23(2) 2_564 ?
Cs2 O24 3.29(3) 2_554 ?
Cs2 O23A 3.49(4) 1_545 ?
Cs2 B4 3.62(3) 1_545 ?
Cs2 O18 3.66(2) 1_655 ?
Cs2 O23 3.66(4) 1_545 ?
Cs2 B5 3.74(3) 2_564 ?
Cs2 B12 3.78(4) 1_645 ?
Cs3 Cs3A 1.08(3) . ?
Cs3 O20 2.92(2) 1_655 ?
Cs3 O12 3.09(2) 2_564 ?
Cs3 O19 3.14(2) 1_655 ?
Cs3 O7 3.16(2) 2_574 ?
Cs3 O13 3.23(2) 2_564 ?
Cs3 O23 3.28(4) . ?
Cs3 O18 3.52(3) 2_664 ?
Cs3 B12 3.54(4) 1_655 ?
Cs3 O3 3.57(2) 2_674 ?
Cs3 B11 3.68(3) 1_655 ?
Cs3 B6 3.70(4) 2_564 ?
Cs3 H23B 3.2876 . ?
Cs4 O17 3.05(2) 2_565 ?
Cs4 O14 3.149(19) . ?
Cs4 O20 3.20(2) 2_565 ?
Cs4 O4 3.212(19) 1_545 ?
Cs4 O6 3.22(2) 1_545 ?
Cs4 O12 3.226(19) . ?
Cs4 O25 3.40(3) . ?
Cs4 O16 3.45(2) . ?
Cs4 O23 3.48(4) 2_565 ?
Cs4 O24 3.50(3) . ?
Cs4 B7 3.64(3) . ?
Cs4 O15 3.77(2) 2_565 ?
Cs4 H24D 3.1184 . ?
Cs4 H25A 3.0026 . ?
Cs4 H23A 2.75(4) 2_565 ?
Cs5 O23A 2.19(4) . ?
Cs5 O21 2.82(2) 1_655 ?
Cs5 Cs3A 3.09(3) 2_565 ?
Cs5 O10 3.120(19) . ?
Cs5 O1 3.14(2) 1_655 ?
Cs5 O8 3.15(2) . ?
Cs5 O19 3.19(2) 1_655 ?
Cs5 O25 3.30(3) 1_655 ?
Cs5 O13 3.33(2) . ?
Cs5 O23 3.42(4) . ?
Cs5 B5 3.52(3) . ?
Cs5 B1 3.58(3) 1_655 ?
Cs5 H23B 2.9904 . ?
B1 O21 1.40(4) . ?
B1 O2 1.45(4) . ?
B1 O22 1.54(4) . ?
B1 O1 1.54(4) . ?
B2 O1 1.35(3) . ?
B2 O4 1.37(3) . ?
B2 O3 1.39(4) . ?
B3 O5 1.42(4) . ?
B3 O4 1.45(3) . ?
B3 O6 1.46(3) . ?
B3 O2 1.49(3) . ?
B4 O8 1.30(4) . ?
B4 O6 1.35(4) . ?
B4 O7 1.37(4) . ?
B5 O10 1.44(3) . ?
B5 O9 1.48(4) . ?
B5 O5 1.49(4) . ?
B5 O8 1.52(4) . ?
B6 O12 1.26(4) . ?
B6 O11 1.39(4) . ?
B6 O9 1.42(5) . ?
B6 Cs3A 3.66(5) 2_565 ?
B7 O14 1.37(4) . ?
B7 O10 1.49(3) . ?
B7 O13 1.52(3) . ?
B7 O12 1.52(3) . ?
B7 Cs3A 3.88(4) 2_565 ?
B8 O15 1.36(3) . ?
B8 O13 1.37(4) . ?
B8 O11 1.38(4) 2_564 ?
B9 O17 1.43(4) . ?
B9 O15 1.46(4) . ?
B9 O14 1.49(4) . ?
B9 O16 1.52(4) . ?
B10 O16 1.31(4) . ?
B10 O18 1.35(4) . ?
B10 O19 1.49(3) . ?
B10 Cs3A 3.49(4) 2_465 ?
B10 Cs3A 3.73(4) 1_455 ?
B11 O21 1.46(3) . ?
B11 O17 1.47(3) . ?
B11 O19 1.48(3) . ?
B11 O20 1.51(3) . ?
B11 Cs3A 3.72(4) 1_455 ?
B12 O20 1.32(5) . ?
B12 O22 1.40(4) . ?
B12 O3 1.42(4) 2_574 ?
O7 H7 0.8199 . ?
O12 Cs3A 3.24(3) 2_565 ?
O13 Cs3A 3.19(3) 2_565 ?
O18 Cs3A 3.22(4) 2_465 ?
O18 H18 0.8201 . ?
O19 Cs3A 3.13(3) 1_455 ?
O20 Cs3A 3.10(3) 1_455 ?
O23 O23A 1.28(5) . ?
O23 H23A 0.8661 . ?
O23 H23B 0.4654 . ?
O24 H24C 0.8500 . ?
O24 H24D 0.8500 . ?
O25 Cs3A 2.74(5) 2_465 ?
O25 H25A 0.8502 . ?
O23A H23B 0.8556 . ?

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
O10 Li O5 72.3(19) . . ?
O10 Li O21 178(3) . . ?
O5 Li O21 109(3) . . ?
O10 Li O14 71.6(18) . . ?
O5 Li O14 115(3) . . ?
O21 Li O14 109(2) . . ?
O10 Li O17 111(3) . . ?
O5 Li O17 177(3) . . ?
O21 Li O17 68.0(17) . . ?
O14 Li O17 67.8(17) . . ?
O10 Li O2 111(2) . . ?
O5 Li O2 68.4(17) . . ?
O21 Li O2 68.0(17) . . ?
O14 Li O2 176(3) . . ?
O17 Li O2 109(2) . . ?
O10 Li B7 37.6(13) . . ?
O5 Li B7 96(2) . . ?
O21 Li B7 143(3) . . ?
O14 Li B7 34.1(11) . . ?
O17 Li B7 88(2) . . ?
O2 Li B7 148(3) . . ?
O10 Li B5 35.4(12) . . ?
O5 Li B5 36.9(12) . . ?
O21 Li B5 146(3) . . ?
O14 Li B5 92(2) . . ?
O17 Li B5 146(3) . . ?
O2 Li B5 91(2) . . ?
B7 Li B5 63.4(16) . . ?
O10 Li B1 146(3) . . ?
O5 Li B1 87(2) . . ?
O21 Li B1 33.5(12) . . ?
O14 Li B1 143(3) . . ?
O17 Li B1 89.0(19) . . ?
O2 Li B1 34.7(11) . . ?
B7 Li B1 176(3) . . ?
B5 Li B1 120(2) . . ?
O10 Li B3 91(2) . . ?
O5 Li B3 33.2(12) . . ?
O21 Li B3 89(2) . . ?
O14 Li B3 148(3) . . ?
O17 Li B3 144(2) . . ?
O2 Li B3 35.2(11) . . ?
B7 Li B3 124(2) . . ?
B5 Li B3 60.5(15) . . ?
B1 Li B3 59.7(15) . . ?
O10 Li B11 145(3) . . ?
O5 Li B11 143(3) . . ?
O21 Li B11 33.9(12) . . ?
O14 Li B11 89(2) . . ?
O17 Li B11 34.1(11) . . ?
O2 Li B11 87.7(18) . . ?
B7 Li B11 118(2) . . ?
B5 Li B11 179(3) . . ?
B1 Li B11 58.8(15) . . ?
B3 Li B11 118(2) . . ?
O10 Li B9 92(2) . . ?
O5 Li B9 150(3) . . ?
O21 Li B9 88(2) . . ?
O14 Li B9 34.7(12) . . ?
O17 Li B9 33.2(12) . . ?
O2 Li B9 142(3) . . ?
B7 Li B9 59.1(15) . . ?
B5 Li B9 123(2) . . ?
B1 Li B9 117(2) . . ?
B3 Li B9 177(3) . . ?
B11 Li B9 58.5(15) . . ?
O5 Cs1 O16 133.9(6) 2_564 . ?
O5 Cs1 O15 99.8(5) 2_564 . ?
O16 Cs1 O15 44.5(5) . . ?
O5 Cs1 O2 106.6(6) 2_564 1_545 ?
O16 Cs1 O2 119.3(5) . 1_545 ?
O15 Cs1 O2 134.3(5) . 1_545 ?
O5 Cs1 O22 94.7(5) 2_564 1_545 ?
O16 Cs1 O22 120.3(5) . 1_545 ?
O15 Cs1 O22 164.5(5) . 1_545 ?
O2 Cs1 O22 44.1(5) 1_545 1_545 ?
O5 Cs1 O24 61.3(6) 2_564 2_554 ?
O16 Cs1 O24 155.6(7) . 2_554 ?
O15 Cs1 O24 123.7(6) . 2_554 ?
O2 Cs1 O24 48.9(5) 1_545 2_554 ?
O22 Cs1 O24 68.6(6) 1_545 2_554 ?
O5 Cs1 O9 44.4(5) 2_564 2_564 ?
O16 Cs1 O9 108.9(5) . 2_564 ?
O15 Cs1 O9 64.7(5) . 2_564 ?
O2 Cs1 O9 112.2(5) 1_545 2_564 ?
O22 Cs1 O9 130.8(5) 1_545 2_564 ?
O24 Cs1 O9 67.3(6) 2_554 2_564 ?
O5 Cs1 O25 75.8(6) 2_564 2_564 ?
O16 Cs1 O25 61.9(6) . 2_564 ?
O15 Cs1 O25 60.7(6) . 2_564 ?
O2 Cs1 O25 162.0(6) 1_545 2_564 ?
O22 Cs1 O25 118.4(6) 1_545 2_564 ?
O24 Cs1 O25 137.1(7) 2_554 2_564 ?
O9 Cs1 O25 82.3(6) 2_564 2_564 ?
O5 Cs1 O6 116.5(5) 2_564 1_545 ?
O16 Cs1 O6 97.4(5) . 1_545 ?
O15 Cs1 O6 94.3(5) . 1_545 ?
O2 Cs1 O6 40.5(5) 1_545 1_545 ?
O22 Cs1 O6 84.1(5) 1_545 1_545 ?
O24 Cs1 O6 59.5(6) 2_554 1_545 ?
O9 Cs1 O6 91.8(5) 2_564 1_545 ?
O25 Cs1 O6 154.5(5) 2_564 1_545 ?
O5 Cs1 O4 38.5(5) 2_564 2_564 ?
O16 Cs1 O4 152.9(5) . 2_564 ?
O15 Cs1 O4 138.0(5) . 2_564 ?
O2 Cs1 O4 78.2(5) 1_545 2_564 ?
O22 Cs1 O4 56.2(5) 1_545 2_564 ?
O24 Cs1 O4 51.5(6) 2_554 2_564 ?
O9 Cs1 O4 79.4(5) 2_564 2_564 ?
O25 Cs1 O4 94.9(5) 2_564 2_564 ?
O6 Cs1 O4 108.3(4) 1_545 2_564 ?
O5 Cs1 B1 108.2(6) 2_564 1_545 ?
O16 Cs1 B1 115.7(6) . 1_545 ?
O15 Cs1 B1 148.5(6) . 1_545 ?
O2 Cs1 B1 22.1(6) 1_545 1_545 ?
O22 Cs1 B1 23.9(6) 1_545 1_545 ?
O24 Cs1 B1 62.1(6) 2_554 1_545 ?
O9 Cs1 B1 129.3(6) 2_564 1_545 ?
O25 Cs1 B1 139.9(7) 2_564 1_545 ?
O6 Cs1 B1 60.5(6) 1_545 1_545 ?
O4 Cs1 B1 72.0(6) 2_564 1_545 ?
O5 Cs1 B9 117.2(7) 2_564 . ?
O16 Cs1 B9 22.7(6) . . ?
O15 Cs1 B9 21.8(6) . . ?
O2 Cs1 B9 130.4(6) 1_545 . ?
O22 Cs1 B9 142.9(6) 1_545 . ?
O24 Cs1 B9 142.2(8) 2_554 . ?
O9 Cs1 B9 86.3(6) 2_564 . ?
O25 Cs1 B9 58.4(7) 2_564 . ?
O6 Cs1 B9 96.6(6) 1_545 . ?
O4 Cs1 B9 151.4(6) 2_564 . ?
B1 Cs1 B9 134.6(7) 1_545 . ?
O9 Cs2 O22 136.5(5) 2_564 1_645 ?
O9 Cs2 O7 104.3(5) 2_564 1_545 ?
O22 Cs2 O7 116.1(5) 1_645 1_545 ?
O9 Cs2 O1 165.0(6) 2_564 1_645 ?
O22 Cs2 O1 44.8(5) 1_645 1_645 ?
O7 Cs2 O1 71.3(5) 1_545 1_645 ?
O9 Cs2 O8 45.3(5) 2_564 2_564 ?
O22 Cs2 O8 99.7(5) 1_645 2_564 ?
O7 Cs2 O8 143.4(5) 1_545 2_564 ?
O1 Cs2 O8 143.6(5) 1_645 2_564 ?
O9 Cs2 O24 70.5(6) 2_564 2_554 ?
O22 Cs2 O24 125.5(6) 1_645 2_554 ?
O7 Cs2 O24 85.9(6) 1_545 2_554 ?
O1 Cs2 O24 122.4(6) 1_645 2_554 ?
O8 Cs2 O24 66.3(6) 2_564 2_554 ?
O9 Cs2 O23A 131.1(7) 2_564 1_545 ?
O22 Cs2 O23A 71.3(7) 1_645 1_545 ?
O7 Cs2 O23A 83.8(7) 1_545 1_545 ?
O1 Cs2 O23A 63.5(7) 1_645 1_545 ?
O8 Cs2 O23A 102.0(8) 2_564 1_545 ?
O24 Cs2 O23A 61.9(8) 2_554 1_545 ?
O9 Cs2 B4 103.0(6) 2_564 1_545 ?
O22 Cs2 B4 120.5(6) 1_645 1_545 ?
O7 Cs2 B4 21.9(6) 1_545 1_545 ?
O1 Cs2 B4 78.4(6) 1_645 1_545 ?
O8 Cs2 B4 129.3(6) 2_564 1_545 ?
O24 Cs2 B4 65.5(7) 2_554 1_545 ?
O23A Cs2 B4 67.8(8) 1_545 1_545 ?
O9 Cs2 O18 77.8(6) 2_564 1_655 ?
O22 Cs2 O18 92.9(6) 1_645 1_655 ?
O7 Cs2 O18 80.8(5) 1_545 1_655 ?
O1 Cs2 O18 87.3(6) 1_645 1_655 ?
O8 Cs2 O18 105.7(6) 2_564 1_655 ?
O24 Cs2 O18 141.2(6) 2_554 1_655 ?
O23A Cs2 O18 150.1(8) 1_545 1_655 ?
B4 Cs2 O18 101.9(6) 1_545 1_655 ?
O9 Cs2 O23 111.6(7) 2_564 1_545 ?
O22 Cs2 O23 81.1(7) 1_645 1_545 ?
O7 Cs2 O23 95.2(7) 1_545 1_545 ?
O1 Cs2 O23 83.3(7) 1_645 1_545 ?
O8 Cs2 O23 82.7(7) 2_564 1_545 ?
O24 Cs2 O23 46.1(7) 2_554 1_545 ?
O23A Cs2 O23 20.4(8) 1_545 1_545 ?
B4 Cs2 O23 75.3(7) 1_545 1_545 ?
O18 Cs2 O23 170.5(7) 1_655 1_545 ?
O9 Cs2 B5 22.0(6) 2_564 2_564 ?
O22 Cs2 B5 121.7(6) 1_645 2_564 ?
O7 Cs2 B5 122.2(6) 1_545 2_564 ?
O1 Cs2 B5 166.5(7) 1_645 2_564 ?
O8 Cs2 B5 23.8(6) 2_564 2_564 ?
O24 Cs2 B5 63.2(6) 2_554 2_564 ?
O23A Cs2 B5 115.9(8) 1_545 2_564 ?
B4 Cs2 B5 114.5(7) 1_545 2_564 ?
O18 Cs2 B5 93.9(6) 1_655 2_564 ?
O23 Cs2 B5 95.5(7) 1_545 2_564 ?
O9 Cs2 B12 125.8(7) 2_564 1_645 ?
O22 Cs2 B12 20.4(6) 1_645 1_645 ?
O7 Cs2 B12 129.8(6) 1_545 1_645 ?
O1 Cs2 B12 60.6(6) 1_645 1_645 ?
O8 Cs2 B12 83.0(6) 2_564 1_645 ?
O24 Cs2 B12 107.7(7) 2_554 1_645 ?
O23A Cs2 B12 63.5(8) 1_545 1_645 ?
B4 Cs2 B12 126.1(7) 1_545 1_645 ?
O18 Cs2 B12 108.8(7) 1_655 1_645 ?
O23 Cs2 B12 67.2(8) 1_545 1_645 ?
B5 Cs2 B12 106.5(7) 2_564 1_645 ?
Cs3A Cs3 O20 89.3(14) . 1_655 ?
Cs3A Cs3 O12 88.2(13) . 2_564 ?
O20 Cs3 O12 149.4(5) 1_655 2_564 ?
Cs3A Cs3 O19 79.4(15) . 1_655 ?
O20 Cs3 O19 46.2(5) 1_655 1_655 ?
O12 Cs3 O19 103.5(5) 2_564 1_655 ?
Cs3A Cs3 O7 147.3(15) . 2_574 ?
O20 Cs3 O7 88.4(6) 1_655 2_574 ?
O12 Cs3 O7 109.5(5) 2_564 2_574 ?
O19 Cs3 O7 120.3(5) 1_655 2_574 ?
Cs3A Cs3 O13 78.2(14) . 2_564 ?
O20 Cs3 O13 161.8(6) 1_655 2_564 ?
O12 Cs3 O13 44.5(5) 2_564 2_564 ?
O19 Cs3 O13 141.0(5) 1_655 2_564 ?
O7 Cs3 O13 95.1(5) 2_574 2_564 ?
Cs3A Cs3 O23 142.1(16) . . ?
O20 Cs3 O23 83.3(7) 1_655 . ?
O12 Cs3 O23 80.2(7) 2_564 . ?
O19 Cs3 O23 68.7(7) 1_655 . ?
O7 Cs3 O23 69.8(7) 2_574 . ?
O13 Cs3 O23 114.6(7) 2_564 . ?
Cs3A Cs3 O18 65.3(16) . 2_664 ?
O20 Cs3 O18 96.3(6) 1_655 2_664 ?
O12 Cs3 O18 110.2(6) 2_564 2_664 ?
O19 Cs3 O18 129.3(6) 1_655 2_664 ?
O7 Cs3 O18 82.5(6) 2_574 2_664 ?
O13 Cs3 O18 66.6(6) 2_564 2_664 ?
O23 Cs3 O18 152.3(7) . 2_664 ?
Cs3A Cs3 B12 108.2(14) . 1_655 ?
O20 Cs3 B12 21.0(7) 1_655 1_655 ?
O12 Cs3 B12 153.6(7) 2_564 1_655 ?
O19 Cs3 B12 61.2(7) 1_655 1_655 ?
O7 Cs3 B12 67.5(7) 2_574 1_655 ?
O13 Cs3 B12 157.3(7) 2_564 1_655 ?
O23 Cs3 B12 74.3(9) . 1_655 ?
O18 Cs3 B12 95.6(7) 2_664 1_655 ?
Cs3A Cs3 O3 115.3(13) . 2_674 ?
O20 Cs3 O3 41.2(5) 1_655 2_674 ?
O12 Cs3 O3 156.5(5) 2_564 2_674 ?
O19 Cs3 O3 84.3(5) 1_655 2_674 ?
O7 Cs3 O3 49.1(5) 2_574 2_674 ?
O13 Cs3 O3 134.3(5) 2_564 2_674 ?
O23 Cs3 O3 82.2(7) . 2_674 ?
O18 Cs3 O3 79.6(5) 2_664 2_674 ?
B12 Cs3 O3 23.1(6) 1_655 2_674 ?
Cs3A Cs3 B11 83.5(15) . 1_655 ?
O20 Cs3 B11 22.9(6) 1_655 1_655 ?
O12 Cs3 B11 126.7(6) 2_564 1_655 ?
O19 Cs3 B11 23.3(6) 1_655 1_655 ?
O7 Cs3 B11 105.2(6) 2_574 1_655 ?
O13 Cs3 B11 159.6(6) 2_564 1_655 ?
O23 Cs3 B11 75.5(8) . 1_655 ?
O18 Cs3 B11 113.3(7) 2_664 1_655 ?
B12 Cs3 B11 39.8(7) 1_655 1_655 ?
O3 Cs3 B11 62.4(5) 2_674 1_655 ?
Cs3A Cs3 B6 79.9(14) . 2_564 ?
O20 Cs3 B6 131.4(7) 1_655 2_564 ?
O12 Cs3 B6 18.9(6) 2_564 2_564 ?
O19 Cs3 B6 85.2(6) 1_655 2_564 ?
O7 Cs3 B6 124.4(7) 2_574 2_564 ?
O13 Cs3 B6 59.6(7) 2_564 2_564 ?
O23 Cs3 B6 77.6(9) . 2_564 ?
O18 Cs3 B6 120.4(7) 2_664 2_564 ?
B12 Cs3 B6 142.2(9) 1_655 2_564 ?
O3 Cs3 B6 159.6(7) 2_674 2_564 ?
B11 Cs3 B6 108.5(7) 1_655 2_564 ?
Cs3A Cs3 H23B 136.1 . . ?
O20 Cs3 H23B 76.7 1_655 . ?
O12 Cs3 H23B 84.2 2_564 . ?
O19 Cs3 H23B 60.8 1_655 . ?
O7 Cs3 H23B 74.6 2_574 . ?
O13 Cs3 H23B 121.4 2_564 . ?
O23 Cs3 H23B 8.1 . . ?
O18 Cs3 H23B 156.2 2_664 . ?
B12 Cs3 H23B 69.6 1_655 . ?
O3 Cs3 H23B 80.3 2_674 . ?
B11 Cs3 H23B 67.5 1_655 . ?
B6 Cs3 H23B 79.2 2_564 . ?
O17 Cs4 O14 107.9(5) 2_565 . ?
O17 Cs4 O20 44.8(5) 2_565 2_565 ?
O14 Cs4 O20 116.3(5) . 2_565 ?
O17 Cs4 O4 99.1(5) 2_565 1_545 ?
O14 Cs4 O4 137.7(5) . 1_545 ?
O20 Cs4 O4 63.8(5) 2_565 1_545 ?
O17 Cs4 O6 131.5(5) 2_565 1_545 ?
O14 Cs4 O6 120.6(5) . 1_545 ?
O20 Cs4 O6 106.2(5) 2_565 1_545 ?
O4 Cs4 O6 42.6(5) 1_545 1_545 ?
O17 Cs4 O12 93.5(5) 2_565 . ?
O14 Cs4 O12 43.8(5) . . ?
O20 Cs4 O12 131.6(5) 2_565 . ?
O4 Cs4 O12 164.4(5) 1_545 . ?
O6 Cs4 O12 121.8(5) 1_545 . ?
O17 Cs4 O25 61.5(6) 2_565 . ?
O14 Cs4 O25 51.9(6) . . ?
O20 Cs4 O25 67.2(7) 2_565 . ?
O4 Cs4 O25 123.1(7) 1_545 . ?
O6 Cs4 O25 155.3(6) 1_545 . ?
O12 Cs4 O25 71.2(7) . . ?
O17 Cs4 O16 118.2(5) 2_565 . ?
O14 Cs4 O16 42.8(5) . . ?
O20 Cs4 O16 93.7(5) 2_565 . ?
O4 Cs4 O16 95.7(5) 1_545 . ?
O6 Cs4 O16 97.7(5) 1_545 . ?
O12 Cs4 O16 86.4(5) . . ?
O25 Cs4 O16 60.4(6) . . ?
O17 Cs4 O23 75.8(7) 2_565 2_565 ?
O14 Cs4 O23 118.9(7) . 2_565 ?
O20 Cs4 O23 107.6(7) 2_565 2_565 ?
O4 Cs4 O23 98.8(7) 1_545 2_565 ?
O6 Cs4 O23 82.0(7) 1_545 2_565 ?
O12 Cs4 O23 75.4(6) . 2_565 ?
O25 Cs4 O23 122.6(8) . 2_565 ?
O16 Cs4 O23 157.9(7) . 2_565 ?
O17 Cs4 O24 74.2(6) 2_565 . ?
O14 Cs4 O24 164.8(6) . . ?
O20 Cs4 O24 76.2(6) 2_565 . ?
O4 Cs4 O24 54.3(6) 1_545 . ?
O6 Cs4 O24 59.6(5) 1_545 . ?
O12 Cs4 O24 121.7(6) . . ?
O25 Cs4 O24 134.9(7) . . ?
O16 Cs4 O24 149.9(6) . . ?
O23 Cs4 O24 46.4(7) 2_565 . ?
O17 Cs4 B7 109.4(6) 2_565 . ?
O14 Cs4 B7 21.8(6) . . ?
O20 Cs4 B7 133.3(6) 2_565 . ?
O4 Cs4 B7 149.8(6) 1_545 . ?
O6 Cs4 B7 115.9(6) 1_545 . ?
O12 Cs4 B7 24.7(6) . . ?
O25 Cs4 B7 66.1(7) . . ?
O16 Cs4 B7 62.4(6) . . ?
O23 Cs4 B7 97.7(8) 2_565 . ?
O24 Cs4 B7 143.0(7) . . ?
O17 Cs4 O15 39.0(5) 2_565 2_565 ?
O14 Cs4 O15 79.0(5) . 2_565 ?
O20 Cs4 O15 81.1(5) 2_565 2_565 ?
O4 Cs4 O15 137.1(5) 1_545 2_565 ?
O6 Cs4 O15 149.7(5) 1_545 2_565 ?
O12 Cs4 O15 54.6(5) . 2_565 ?
O25 Cs4 O15 54.8(6) . 2_565 ?
O16 Cs4 O15 111.3(5) . 2_565 ?
O23 Cs4 O15 67.8(6) 2_565 2_565 ?
O24 Cs4 O15 95.3(5) . 2_565 ?
B7 Cs4 O15 72.9(5) . 2_565 ?
O17 Cs4 H24D 80.9 2_565 . ?
O14 Cs4 H24D 170.5 . . ?
O20 Cs4 H24D 72.6 2_565 . ?
O4 Cs4 H24D 41.2 1_545 . ?
O6 Cs4 H24D 50.9 1_545 . ?
O12 Cs4 H24D 133.7 . . ?
O25 Cs4 H24D 137.6 . . ?
O16 Cs4 H24D 136.6 . . ?
O23 Cs4 H24D 58.6 2_565 . ?
O24 Cs4 H24D 13.2 . . ?
B7 Cs4 H24D 152.0 . . ?
O15 Cs4 H24D 106.9 2_565 . ?
O17 Cs4 H25A 54.0 2_565 . ?
O14 Cs4 H25A 54.8 . . ?
O20 Cs4 H25A 70.8 2_565 . ?
O4 Cs4 H25A 132.0 1_545 . ?
O6 Cs4 H25A 168.8 1_545 . ?
O12 Cs4 H25A 63.3 . . ?
O25 Cs4 H25A 13.5 . . ?
O16 Cs4 H25A 72.1 . . ?
O23 Cs4 H25A 109.1 2_565 . ?
O24 Cs4 H25A 128.0 . . ?
B7 Cs4 H25A 64.0 . . ?
O15 Cs4 H25A 41.4 2_565 . ?
H24D Cs4 H25A 134.4 . . ?
O17 Cs4 H23A 75.8(8) 2_565 2_565 ?
O14 Cs4 H23A 127.5(8) . 2_565 ?
O20 Cs4 H23A 102.6(8) 2_565 2_565 ?
O4 Cs4 H23A 90.0(8) 1_545 2_565 ?
O6 Cs4 H23A 76.2(8) 1_545 2_565 ?
O12 Cs4 H23A 84.1(8) . 2_565 ?
O25 Cs4 H23A 128.0(9) . 2_565 ?
O16 Cs4 H23A 163.6(8) . 2_565 ?
O23 Cs4 H23A 8.81(18) 2_565 2_565 ?
O24 Cs4 H23A 37.6(9) . 2_565 ?
B7 Cs4 H23A 106.1(9) . 2_565 ?
O15 Cs4 H23A 73.5(8) 2_565 2_565 ?
H24D Cs4 H23A 49.8 . 2_565 ?
H25A Cs4 H23A 114.8 . 2_565 ?
O23A Cs5 O21 80.9(10) . 1_655 ?
O23A Cs5 Cs3A 118.3(11) . 2_565 ?
O21 Cs5 Cs3A 110.9(7) 1_655 2_565 ?
O23A Cs5 O10 59.7(10) . . ?
O21 Cs5 O10 140.4(6) 1_655 . ?
Cs3A Cs5 O10 92.4(7) 2_565 . ?
O23A Cs5 O1 80.3(10) . 1_655 ?
O21 Cs5 O1 46.6(6) 1_655 1_655 ?
Cs3A Cs5 O1 150.8(7) 2_565 1_655 ?
O10 Cs5 O1 116.7(5) . 1_655 ?
O23A Cs5 O8 75.3(10) . . ?
O21 Cs5 O8 124.6(6) 1_655 . ?
Cs3A Cs5 O8 124.5(7) 2_565 . ?
O10 Cs5 O8 45.3(5) . . ?
O1 Cs5 O8 80.2(6) 1_655 . ?
O23A Cs5 O19 66.3(10) . 1_655 ?
O21 Cs5 O19 46.2(5) 1_655 1_655 ?
Cs3A Cs5 O19 79.8(6) 2_565 1_655 ?
O10 Cs5 O19 112.6(5) . 1_655 ?
O1 Cs5 O19 89.1(5) 1_655 1_655 ?
O8 Cs5 O19 141.3(6) . 1_655 ?
O23A Cs5 O25 143.3(10) . 1_655 ?
O21 Cs5 O25 74.3(6) 1_655 1_655 ?
Cs3A Cs5 O25 50.7(9) 2_565 1_655 ?
O10 Cs5 O25 141.0(7) . 1_655 ?
O1 Cs5 O25 100.6(7) 1_655 1_655 ?
O8 Cs5 O25 141.3(6) . 1_655 ?
O19 Cs5 O25 77.0(6) 1_655 1_655 ?
O23A Cs5 O13 63.9(10) . . ?
O21 Cs5 O13 123.2(5) 1_655 . ?
Cs3A Cs5 O13 59.5(7) 2_565 . ?
O10 Cs5 O13 43.8(5) . . ?
O1 Cs5 O13 144.3(6) 1_655 . ?
O8 Cs5 O13 89.1(6) . . ?
O19 Cs5 O13 78.2(5) 1_655 . ?
O25 Cs5 O13 108.6(7) 1_655 . ?
O23A Cs5 O23 7.3(12) . . ?
O21 Cs5 O23 86.2(7) 1_655 . ?
Cs3A Cs5 O23 111.8(9) 2_565 . ?
O10 Cs5 O23 55.0(7) . . ?
O1 Cs5 O23 87.7(7) 1_655 . ?
O8 Cs5 O23 75.9(7) . . ?
O19 Cs5 O23 66.5(7) 1_655 . ?
O25 Cs5 O23 142.5(8) 1_655 . ?
O13 Cs5 O23 56.6(7) . . ?
O23A Cs5 B5 75.3(11) . . ?
O21 Cs5 B5 146.4(7) 1_655 . ?
Cs3A Cs5 B5 101.3(8) 2_565 . ?
O10 Cs5 B5 24.1(6) . . ?
O1 Cs5 B5 105.4(6) 1_655 . ?
O8 Cs5 B5 25.6(6) . . ?
O19 Cs5 B5 135.9(6) 1_655 . ?
O25 Cs5 B5 137.1(7) 1_655 . ?
O13 Cs5 B5 65.7(6) . . ?
O23 Cs5 B5 72.6(8) . . ?
O23A Cs5 B1 78.0(11) . 1_655 ?
O21 Cs5 B1 21.2(6) 1_655 1_655 ?
Cs3A Cs5 B1 131.0(7) 2_565 1_655 ?
O10 Cs5 B1 131.2(6) . 1_655 ?
O1 Cs5 B1 25.5(6) 1_655 1_655 ?
O8 Cs5 B1 104.0(6) . 1_655 ?
O19 Cs5 B1 64.7(6) 1_655 1_655 ?
O25 Cs5 B1 87.6(8) 1_655 1_655 ?
O13 Cs5 B1 135.1(6) . 1_655 ?
O23 Cs5 B1 84.8(8) . 1_655 ?
B5 Cs5 B1 127.7(7) . 1_655 ?
O23A Cs5 H23B 6.5 . . ?
O21 Cs5 H23B 83.0 1_655 . ?
Cs3A Cs5 H23B 111.8 2_565 . ?
O10 Cs5 H23B 58.3 . . ?
O1 Cs5 H23B 86.3 1_655 . ?
O8 Cs5 H23B 78.7 . . ?
O19 Cs5 H23B 63.5 1_655 . ?
O25 Cs5 H23B 139.9 1_655 . ?
O13 Cs5 H23B 58.1 . . ?
O23 Cs5 H23B 3.3 . . ?
B5 Cs5 H23B 76.0 . . ?
B1 Cs5 H23B 82.3 1_655 . ?
O21 B1 O2 117(3) . . ?
O21 B1 O22 113(2) . . ?
O2 B1 O22 106(2) . . ?
O21 B1 O1 107(2) . . ?
O2 B1 O1 111(2) . . ?
O22 B1 O1 101(2) . . ?
O21 B1 Li 56.0(19) . . ?
O2 B1 Li 61.3(18) . . ?
O22 B1 Li 134(2) . . ?
O1 B1 Li 125(2) . . ?
O21 B1 Cs5 46.9(13) . 1_455 ?
O2 B1 Cs5 139.4(18) . 1_455 ?
O22 B1 Cs5 114.6(17) . 1_455 ?
O1 B1 Cs5 60.8(13) . 1_455 ?
Li B1 Cs5 89.8(15) . 1_455 ?
O21 B1 Cs1 157.6(19) . 1_565 ?
O2 B1 Cs1 54.8(13) . 1_565 ?
O22 B1 Cs1 57.8(13) . 1_565 ?
O1 B1 Cs1 94.9(15) . 1_565 ?
Li B1 Cs1 113.3(16) . 1_565 ?
Cs5 B1 Cs1 154.0(9) 1_455 1_565 ?
O21 B1 Cs2 112.4(19) . 1_465 ?
O2 B1 Cs2 130.5(17) . 1_465 ?
O22 B1 Cs2 49.8(12) . 1_465 ?
O1 B1 Cs2 52.4(13) . 1_465 ?
Li B1 Cs2 168.1(17) . 1_465 ?
Cs5 B1 Cs2 79.1(6) 1_455 1_465 ?
Cs1 B1 Cs2 78.5(6) 1_565 1_465 ?
O1 B2 O4 125(3) . . ?
O1 B2 O3 117(2) . . ?
O4 B2 O3 119(2) . . ?
O1 B2 Cs5 48.0(14) . 1_455 ?
O4 B2 Cs5 125.7(17) . 1_455 ?
O3 B2 Cs5 94.0(15) . 1_455 ?
O5 B3 O4 109(2) . . ?
O5 B3 O6 113(2) . . ?
O4 B3 O6 107(2) . . ?
O5 B3 O2 112(2) . . ?
O4 B3 O2 110(2) . . ?
O6 B3 O2 106(2) . . ?
O5 B3 Li 52.5(18) . . ?
O4 B3 Li 128(2) . . ?
O6 B3 Li 125(2) . . ?
O2 B3 Li 59.8(17) . . ?
O5 B3 Cs4 129.0(17) . 1_565 ?
O4 B3 Cs4 53.2(12) . 1_565 ?
O6 B3 Cs4 53.5(12) . 1_565 ?
O2 B3 Cs4 118.8(16) . 1_565 ?
Li B3 Cs4 178.0(17) . 1_565 ?
O5 B3 Cs1 158.7(19) . 1_565 ?
O4 B3 Cs1 90.8(14) . 1_565 ?
O6 B3 Cs1 66.7(13) . 1_565 ?
O2 B3 Cs1 51.0(12) . 1_565 ?
Li B3 Cs1 108.9(15) . 1_565 ?
Cs4 B3 Cs1 69.4(5) 1_565 1_565 ?
O8 B4 O6 125(3) . . ?
O8 B4 O7 117(3) . . ?
O6 B4 O7 118(3) . . ?
O8 B4 Cs2 103.8(18) . 1_565 ?
O6 B4 Cs2 103.8(18) . 1_565 ?
O7 B4 Cs2 58.0(15) . 1_565 ?
O8 B4 Cs2 51.2(15) . 2_565 ?
O6 B4 Cs2 129(2) . 2_565 ?
O7 B4 Cs2 90.0(17) . 2_565 ?
Cs2 B4 Cs2 127.0(8) 1_565 2_565 ?
O8 B4 Cs4 143(2) . 1_565 ?
O6 B4 Cs4 47.8(14) . 1_565 ?
O7 B4 Cs4 82.4(15) . 1_565 ?
Cs2 B4 Cs4 112.7(8) 1_565 1_565 ?
Cs2 B4 Cs4 101.9(7) 2_565 1_565 ?
O10 B5 O9 112(2) . . ?
O10 B5 O5 109(2) . . ?
O9 B5 O5 109(2) . . ?
O10 B5 O8 110(2) . . ?
O9 B5 O8 107(2) . . ?
O5 B5 O8 110(2) . . ?
O10 B5 Li 53.5(18) . . ?
O9 B5 Li 125(2) . . ?
O5 B5 Li 55.8(18) . . ?
O8 B5 Li 128(2) . . ?
O10 B5 Cs5 62.4(14) . . ?
O9 B5 Cs5 87.1(15) . . ?
O5 B5 Cs5 163.9(19) . . ?
O8 B5 Cs5 63.8(14) . . ?
Li B5 Cs5 114.9(16) . . ?
O10 B5 Cs2 137.6(18) . 2_565 ?
O9 B5 Cs2 49.1(13) . 2_565 ?
O5 B5 Cs2 112.9(16) . 2_565 ?
O8 B5 Cs2 59.2(13) . 2_565 ?
Li B5 Cs2 167.1(18) . 2_565 ?
Cs5 B5 Cs2 77.6(6) . 2_565 ?
O10 B5 Cs1 125.9(17) . 2_565 ?
O9 B5 Cs1 58.1(13) . 2_565 ?
O5 B5 Cs1 51.0(13) . 2_565 ?
O8 B5 Cs1 124.2(17) . 2_565 ?
Li B5 Cs1 87.2(16) . 2_565 ?
Cs5 B5 Cs1 145.1(9) . 2_565 ?
Cs2 B5 Cs1 80.1(6) 2_565 2_565 ?
O12 B6 O11 124(3) . . ?
O12 B6 O9 123(3) . . ?
O11 B6 O9 113(3) . . ?
O12 B6 Cs3A 60.7(19) . 2_565 ?
O11 B6 Cs3A 89.2(19) . 2_565 ?
O9 B6 Cs3A 126(2) . 2_565 ?
O12 B6 Cs3 52.2(17) . 2_565 ?
O11 B6 Cs3 85.0(19) . 2_565 ?
O9 B6 Cs3 143(2) . 2_565 ?
Cs3A B6 Cs3 16.9(6) 2_565 2_565 ?
O12 B6 Cs5 79.3(18) . . ?
O11 B6 Cs5 117.0(19) . . ?
O9 B6 Cs5 77.8(17) . . ?
Cs3A B6 Cs5 49.0(7) 2_565 . ?
Cs3 B6 Cs5 64.8(6) 2_565 . ?
O12 B6 Cs2 151(2) . 2_565 ?
O11 B6 Cs2 77.5(18) . 2_565 ?
O9 B6 Cs2 42.9(14) . 2_565 ?
Cs3A B6 Cs2 104.8(10) 2_565 2_565 ?
Cs3 B6 Cs2 119.5(9) 2_565 2_565 ?
Cs5 B6 Cs2 73.1(7) . 2_565 ?
O12 B6 Cs1 117(2) . 2_565 ?
O11 B6 Cs1 92.3(19) . 2_565 ?
O9 B6 Cs1 54.8(15) . 2_565 ?
Cs3A B6 Cs1 177.3(12) 2_565 2_565 ?
Cs3 B6 Cs1 161.3(11) 2_565 2_565 ?
Cs5 B6 Cs1 131.7(11) . 2_565 ?
Cs2 B6 Cs1 77.7(7) 2_565 2_565 ?
O14 B7 O10 114(2) . . ?
O14 B7 O13 114(2) . . ?
O10 B7 O13 106(2) . . ?
O14 B7 O12 110(2) . . ?
O10 B7 O12 107(2) . . ?
O13 B7 O12 104(2) . . ?
O14 B7 Li 59.5(19) . . ?
O10 B7 Li 54.5(17) . . ?
O13 B7 Li 128(2) . . ?
O12 B7 Li 127(2) . . ?
O14 B7 Cs4 58.4(13) . . ?
O10 B7 Cs4 157.4(17) . . ?
O13 B7 Cs4 95.7(14) . . ?
O12 B7 Cs4 62.1(12) . . ?
Li B7 Cs4 114.3(16) . . ?
O14 B7 Cs5 167.9(19) . . ?
O10 B7 Cs5 56.8(12) . . ?
O13 B7 Cs5 64.9(13) . . ?
O12 B7 Cs5 81.1(14) . . ?
Li B7 Cs5 110.6(16) . . ?
Cs4 B7 Cs5 133.3(9) . . ?
O14 B7 Cs3 126.2(17) . 2_565 ?
O10 B7 Cs3 119.5(16) . 2_565 ?
O13 B7 Cs3 54.8(12) . 2_565 ?
O12 B7 Cs3 49.2(12) . 2_565 ?
Li B7 Cs3 173.2(17) . 2_565 ?
Cs4 B7 Cs3 69.9(5) . 2_565 ?
Cs5 B7 Cs3 64.2(5) . 2_565 ?
O14 B7 Cs3A 142.1(19) . 2_565 ?
O10 B7 Cs3A 103.9(16) . 2_565 ?
O13 B7 Cs3A 52.4(13) . 2_565 ?
O12 B7 Cs3A 54.2(13) . 2_565 ?
Li B7 Cs3A 158.4(17) . 2_565 ?
Cs4 B7 Cs3A 85.8(8) . 2_565 ?
Cs5 B7 Cs3A 48.1(6) . 2_565 ?
Cs3 B7 Cs3A 16.1(5) 2_565 2_565 ?
O15 B8 O13 122(3) . . ?
O15 B8 O11 118(3) . 2_564 ?
O13 B8 O11 120(2) . 2_564 ?
O17 B9 O15 110(2) . . ?
O17 B9 O14 112(2) . . ?
O15 B9 O14 110(2) . . ?
O17 B9 O16 111(3) . . ?
O15 B9 O16 105(2) . . ?
O14 B9 O16 108(2) . . ?
O17 B9 Li 58.4(18) . . ?
O15 B9 Li 128(2) . . ?
O14 B9 Li 53.7(17) . . ?
O16 B9 Li 126(2) . . ?
O17 B9 Cs4 160(2) . . ?
O15 B9 Cs4 89.7(16) . . ?
O14 B9 Cs4 54.0(13) . . ?
O16 B9 Cs4 65.8(15) . . ?
Li B9 Cs4 105.8(15) . . ?
O17 B9 Cs1 124.6(19) . . ?
O15 B9 Cs1 52.7(12) . . ?
O14 B9 Cs1 123.3(18) . . ?
O16 B9 Cs1 52.6(13) . . ?
Li B9 Cs1 176.8(17) . . ?
Cs4 B9 Cs1 71.0(6) . . ?
O16 B10 O18 119(3) . . ?
O16 B10 O19 123(3) . . ?
O18 B10 O19 118(3) . . ?
O16 B10 Cs3A 104(2) . 2_465 ?
O18 B10 Cs3A 67.5(18) . 2_465 ?
O19 B10 Cs3A 100.2(16) . 2_465 ?
O16 B10 Cs3A 125(2) . 1_455 ?
O18 B10 Cs3A 87.0(18) . 1_455 ?
O19 B10 Cs3A 55.1(14) . 1_455 ?
Cs3A B10 Cs3A 131.3(12) 2_465 1_455 ?
O16 B10 Cs1 48.7(14) . . ?
O18 B10 Cs1 82.0(17) . . ?
O19 B10 Cs1 140.6(18) . . ?
Cs3A B10 Cs1 119.1(9) 2_465 . ?
Cs3A B10 Cs1 95.9(9) 1_455 . ?
O16 B10 Cs5 118.1(19) . 1_455 ?
O18 B10 Cs5 100.6(18) . 1_455 ?
O19 B10 Cs5 52.2(13) . 1_455 ?
Cs3A B10 Cs5 49.2(6) 2_465 1_455 ?
Cs3A B10 Cs5 100.6(9) 1_455 1_455 ?
Cs1 B10 Cs5 163.4(9) . 1_455 ?
O21 B11 O17 112(2) . . ?
O21 B11 O19 109(2) . . ?
O17 B11 O19 111(2) . . ?
O21 B11 O20 112(2) . . ?
O17 B11 O20 107(2) . . ?
O19 B11 O20 106(2) . . ?
O21 B11 Li 53.6(17) . . ?
O17 B11 Li 58.5(17) . . ?
O19 B11 Li 129(2) . . ?
O20 B11 Li 125(2) . . ?
O21 B11 Cs5 46.9(12) . 1_455 ?
O17 B11 Cs5 132.4(17) . 1_455 ?
O19 B11 Cs5 61.8(13) . 1_455 ?
O20 B11 Cs5 120.6(17) . 1_455 ?
Li B11 Cs5 88.1(15) . 1_455 ?
O21 B11 Cs3 126.5(17) . 1_455 ?
O17 B11 Cs3 121.1(16) . 1_455 ?
O19 B11 Cs3 57.4(13) . 1_455 ?
O20 B11 Cs3 48.9(12) . 1_455 ?
Li B11 Cs3 173.8(16) . 1_455 ?
Cs5 B11 Cs3 95.6(7) 1_455 1_455 ?
O21 B11 Cs3A 142.9(19) . 1_455 ?
O17 B11 Cs3A 105.1(17) . 1_455 ?
O19 B11 Cs3A 55.6(13) . 1_455 ?
O20 B11 Cs3A 54.7(13) . 1_455 ?
Li B11 Cs3A 163.5(17) . 1_455 ?
Cs5 B11 Cs3A 106.1(9) 1_455 1_455 ?
Cs3 B11 Cs3A 16.8(6) 1_455 1_455 ?
O21 B11 Cs4 127.5(16) . 2_564 ?
O17 B11 Cs4 50.2(12) . 2_564 ?
O19 B11 Cs4 123.9(16) . 2_564 ?
O20 B11 Cs4 56.5(13) . 2_564 ?
Li B11 Cs4 89.5(15) . 2_564 ?
Cs5 B11 Cs4 173.6(9) 1_455 2_564 ?
Cs3 B11 Cs4 86.3(6) 1_455 2_564 ?
Cs3A B11 Cs4 77.2(7) 1_455 2_564 ?
O20 B12 O22 128(3) . . ?
O20 B12 O3 119(3) . 2_574 ?
O22 B12 O3 114(3) . 2_574 ?
O20 B12 Cs3 52.2(16) . 1_455 ?
O22 B12 Cs3 142(2) . 1_455 ?
O3 B12 Cs3 79.7(17) 2_574 1_455 ?
O20 B12 Cs2 134(2) . 1_465 ?
O22 B12 Cs2 50.4(15) . 1_465 ?
O3 B12 Cs2 84.3(17) 2_574 1_465 ?
Cs3 B12 Cs2 99.9(8) 1_455 1_465 ?
O20 B12 Cs4 52.4(16) . 2_564 ?
O22 B12 Cs4 123.4(19) . 2_564 ?
O3 B12 Cs4 96.1(18) 2_574 2_564 ?
Cs3 B12 Cs4 87.5(8) 1_455 2_564 ?
Cs2 B12 Cs4 172.5(11) 1_465 2_564 ?
B2 O1 B1 119(2) . . ?
B2 O1 Cs5 113.3(17) . 1_455 ?
B1 O1 Cs5 93.8(15) . 1_455 ?
B2 O1 Cs2 123.0(17) . 1_465 ?
B1 O1 Cs2 104.8(15) . 1_465 ?
Cs5 O1 Cs2 97.8(6) 1_455 1_465 ?
B1 O2 B3 120(2) . . ?
B1 O2 Li 84(2) . . ?
B3 O2 Li 85.0(19) . . ?
B1 O2 Cs1 103.2(15) . 1_565 ?
B3 O2 Cs1 107.4(14) . 1_565 ?
Li O2 Cs1 159.0(17) . 1_565 ?
B2 O3 B12 120(2) . 2_575 ?
B2 O3 Cs3 134.3(15) . 2_475 ?
B12 O3 Cs3 77.2(18) 2_575 2_475 ?
B2 O4 B3 122(2) . . ?
B2 O4 Cs4 117.2(16) . 1_565 ?
B3 O4 Cs4 105.5(14) . 1_565 ?
B2 O4 Cs1 97.8(16) . 2_565 ?
B3 O4 Cs1 90.9(14) . 2_565 ?
Cs4 O4 Cs1 121.5(6) 1_565 2_565 ?
B3 O5 B5 123(2) . . ?
B3 O5 Li 94(2) . . ?
B5 O5 Li 87(2) . . ?
B3 O5 Cs1 121.6(17) . 2_565 ?
B5 O5 Cs1 107.1(15) . 2_565 ?
Li O5 Cs1 117.9(17) . 2_565 ?
B4 O6 B3 121(2) . . ?
B4 O6 Cs4 114.1(18) . 1_565 ?
B3 O6 Cs4 105.1(15) . 1_565 ?
B4 O6 Cs1 135.4(18) . 1_565 ?
B3 O6 Cs1 91.2(14) . 1_565 ?
Cs4 O6 Cs1 80.9(4) 1_565 1_565 ?
B4 O7 Cs2 100.1(17) . 1_565 ?
B4 O7 Cs3 147.5(18) . 2_575 ?
Cs2 O7 Cs3 107.4(7) 1_565 2_575 ?
B4 O7 H7 125.8 . . ?
Cs2 O7 H7 70.5 1_565 . ?
Cs3 O7 H7 80.7 2_575 . ?
B4 O8 B5 121(2) . . ?
B4 O8 Cs5 137.6(19) . . ?
B5 O8 Cs5 90.6(15) . . ?
B4 O8 Cs2 110.6(18) . 2_565 ?
B5 O8 Cs2 97.0(15) . 2_565 ?
Cs5 O8 Cs2 90.8(6) . 2_565 ?
B6 O9 B5 120(2) . . ?
B6 O9 Cs2 118.2(17) . 2_565 ?
B5 O9 Cs2 108.9(16) . 2_565 ?
B6 O9 Cs1 104.5(18) . 2_565 ?
B5 O9 Cs1 99.5(15) . 2_565 ?
Cs2 O9 Cs1 101.6(5) 2_565 2_565 ?
B6 O9 Cs5 80.5(17) . . ?
B5 O9 Cs5 69.6(14) . . ?
Cs2 O9 Cs5 84.2(5) 2_565 . ?
Cs1 O9 Cs5 168.9(6) 2_565 . ?
B5 O10 B7 124(2) . . ?
B5 O10 Li 91(2) . . ?
B7 O10 Li 88(2) . . ?
B5 O10 Cs5 93.6(15) . . ?
B7 O10 Cs5 99.5(15) . . ?
Li O10 Cs5 166.9(18) . . ?
B8 O11 B6 121(2) 2_565 . ?
B8 O11 Cs2 126.8(16) 2_565 2_565 ?
B6 O11 Cs2 81.6(18) . 2_565 ?
B6 O12 B7 125(3) . . ?
B6 O12 Cs3 109(2) . 2_565 ?
B7 O12 Cs3 108.9(15) . 2_565 ?
B6 O12 Cs4 127(2) . . ?
B7 O12 Cs4 93.2(14) . . ?
Cs3 O12 Cs4 85.9(5) 2_565 . ?
B6 O12 Cs3A 99(2) . 2_565 ?
B7 O12 Cs3A 103.3(15) . 2_565 ?
Cs3 O12 Cs3A 19.5(6) 2_565 2_565 ?
Cs4 O12 Cs3A 105.1(8) . 2_565 ?
B6 O12 Cs5 81.4(19) . . ?
B7 O12 Cs5 75.3(14) . . ?
Cs3 O12 Cs5 70.9(4) 2_565 . ?
Cs4 O12 Cs5 148.5(6) . . ?
Cs3A O12 Cs5 51.8(6) 2_565 . ?
B8 O13 B7 119(2) . . ?
B8 O13 Cs3A 127.1(18) . 2_565 ?
B7 O13 Cs3A 105.5(15) . 2_565 ?
B8 O13 Cs3 116.9(17) . 2_565 ?
B7 O13 Cs3 102.6(14) . 2_565 ?
Cs3A O13 Cs3 19.4(6) 2_565 2_565 ?
B8 O13 Cs5 141.0(18) . . ?
B7 O13 Cs5 90.8(14) . . ?
Cs3A O13 Cs5 56.5(7) 2_565 . ?
Cs3 O13 Cs5 75.3(4) 2_565 . ?
B7 O14 B9 122(2) . . ?
B7 O14 Li 86(2) . . ?
B9 O14 Li 92(2) . . ?
B7 O14 Cs4 99.8(16) . . ?
B9 O14 Cs4 103.5(15) . . ?
Li O14 Cs4 156.8(18) . . ?
B8 O15 B9 122(2) . . ?
B8 O15 Cs1 119.6(17) . . ?
B9 O15 Cs1 105.5(15) . . ?
B8 O15 Cs4 99.4(16) . 2_564 ?
B9 O15 Cs4 88.3(15) . 2_564 ?
Cs1 O15 Cs4 117.7(6) . 2_564 ?
B10 O16 B9 122(3) . . ?
B10 O16 Cs1 112.9(18) . . ?
B9 O16 Cs1 104.7(16) . . ?
B10 O16 Cs4 134.0(19) . . ?
B9 O16 Cs4 90.6(16) . . ?
Cs1 O16 Cs4 84.0(5) . . ?
B9 O17 B11 124(2) . . ?
B9 O17 Li 88(2) . . ?
B11 O17 Li 87(2) . . ?
B9 O17 Cs4 122.4(18) . 2_564 ?
B11 O17 Cs4 108.1(15) . 2_564 ?
Li O17 Cs4 119.0(16) . 2_564 ?
B10 O18 Cs3A 89.8(19) . 2_465 ?
B10 O18 Cs3 107.2(19) . 2_465 ?
Cs3A O18 Cs3 17.7(6) 2_465 2_465 ?
B10 O18 Cs2 157(2) . 1_455 ?
Cs3A O18 Cs2 107.0(9) 2_465 1_455 ?
Cs3 O18 Cs2 89.3(5) 2_465 1_455 ?
B10 O18 H18 117.8 . . ?
Cs3A O18 H18 102.4 2_465 . ?
Cs3 O18 H18 96.8 2_465 . ?
Cs2 O18 H18 75.0 1_455 . ?
B11 O19 B10 119(2) . . ?
B11 O19 Cs3A 101.5(16) . 1_455 ?
B10 O19 Cs3A 101.9(16) . 1_455 ?
B11 O19 Cs3 99.3(15) . 1_455 ?
B10 O19 Cs3 119.1(16) . 1_455 ?
Cs3A O19 Cs3 19.9(7) 1_455 1_455 ?
B11 O19 Cs5 94.1(15) . 1_455 ?
B10 O19 Cs5 106.2(15) . 1_455 ?
Cs3A O19 Cs5 135.8(10) 1_455 1_455 ?
Cs3 O19 Cs5 117.1(6) 1_455 1_455 ?
B12 O20 B11 120(2) . . ?
B12 O20 Cs3 106.8(18) . 1_455 ?
B11 O20 Cs3 108.3(15) . 1_455 ?
B12 O20 Cs3A 125(2) . 1_455 ?
B11 O20 Cs3A 101.9(16) . 1_455 ?
Cs3 O20 Cs3A 20.4(7) 1_455 1_455 ?
B12 O20 Cs4 108.5(19) . 2_564 ?
B11 O20 Cs4 100.3(15) . 2_564 ?
Cs3 O20 Cs4 112.7(6) 1_455 2_564 ?
Cs3A O20 Cs4 95.7(8) 1_455 2_564 ?
B1 O21 B11 124(2) . . ?
B1 O21 Li 91(2) . . ?
B11 O21 Li 93(2) . . ?
B1 O21 Cs5 111.9(17) . 1_455 ?
B11 O21 Cs5 110.9(15) . 1_455 ?
Li O21 Cs5 125.3(17) . 1_455 ?
B12 O22 B1 115(2) . . ?
B12 O22 Cs2 109.2(18) . 1_465 ?
B1 O22 Cs2 107.7(15) . 1_465 ?
B12 O22 Cs1 125.1(18) . 1_565 ?
B1 O22 Cs1 98.3(15) . 1_565 ?
Cs2 O22 Cs1 99.6(6) 1_465 1_565 ?
O23A O23 Cs3 106(3) . . ?
O23A O23 Cs5 13(2) . . ?
Cs3 O23 Cs5 107.5(10) . . ?
O23A O23 Cs4 168(3) . 2_564 ?
Cs3 O23 Cs4 79.1(8) . 2_564 ?
Cs5 O23 Cs4 155.7(11) . 2_564 ?
O23A O23 Cs2 72(2) . 1_565 ?
Cs3 O23 Cs2 107.4(9) . 1_565 ?
Cs5 O23 Cs2 83.8(8) . 1_565 ?
Cs4 O23 Cs2 117.2(9) 2_564 1_565 ?
O23A O23 H23A 153.5 . . ?
Cs3 O23 H23A 98.5 . . ?
Cs5 O23 H23A 153.8 . . ?
Cs4 O23 H23A 29.1 2_564 . ?
Cs2 O23 H23A 90.7 1_565 . ?
O23A O23 H23B 19.5 . . ?
Cs3 O23 H23B 86.9 . . ?
Cs5 O23 H23B 22.0 . . ?
Cs4 O23 H23B 158.5 2_564 . ?
Cs2 O23 H23B 82.4 1_565 . ?
H23A O23 H23B 172.3 . . ?
Cs1 O24 Cs2 95.5(8) 2 2 ?
Cs1 O24 Cs4 127.3(10) 2 . ?
Cs2 O24 Cs4 127.6(8) 2 . ?
Cs1 O24 H24C 66.0 2 . ?
Cs2 O24 H24C 116.4 2 . ?
Cs4 O24 H24C 108.8 . . ?
Cs1 O24 H24D 74.5 2 . ?
Cs2 O24 H24D 125.1 2 . ?
Cs4 O24 H24D 57.0 . . ?
H24C O24 H24D 108.2 . . ?
Cs3A O25 Cs5 60.7(7) 2_465 1_455 ?
Cs3A O25 Cs4 98.6(11) 2_465 . ?
Cs5 O25 Cs4 145.1(10) 1_455 . ?
Cs3A O25 Cs1 131.1(10) 2_465 2_565 ?
Cs5 O25 Cs1 92.6(7) 1_455 2_565 ?
Cs4 O25 Cs1 120.7(9) . 2_565 ?
Cs3A O25 Cs3 9.1(5) 2_465 2_465 ?
Cs5 O25 Cs3 69.6(6) 1_455 2_465 ?
Cs4 O25 Cs3 91.7(8) . 2_465 ?
Cs1 O25 Cs3 132.6(8) 2_565 2_465 ?
Cs3A O25 H25A 133.6 2_465 . ?
Cs5 O25 H25A 158.7 1_455 . ?
Cs4 O25 H25A 55.6 . . ?
Cs1 O25 H25A 66.1 2_565 . ?
Cs3 O25 H25A 124.6 2_465 . ?
Cs3 Cs3A O25 147.3(18) . 2_664 ?
Cs3 Cs3A Cs5 143.1(18) . 2_564 ?
O25 Cs3A Cs5 68.6(10) 2_664 2_564 ?
Cs3 Cs3A O20 70.3(12) . 1_655 ?
O25 Cs3A O20 77.3(10) 2_664 1_655 ?
Cs5 Cs3A O20 145.6(13) 2_564 1_655 ?
Cs3 Cs3A O19 80.7(14) . 1_655 ?
O25 Cs3A O19 73.5(10) 2_664 1_655 ?
Cs5 Cs3A O19 117.3(12) 2_564 1_655 ?
O20 Cs3A O19 45.0(6) 1_655 1_655 ?
Cs3 Cs3A O13 82.5(17) . 2_564 ?
O25 Cs3A O13 130.0(11) 2_664 2_564 ?
Cs5 Cs3A O13 64.0(6) 2_564 2_564 ?
O20 Cs3A O13 149.8(14) 1_655 2_564 ?
O19 Cs3A O13 143.8(11) 1_655 2_564 ?
Cs3 Cs3A O18 96.9(19) . 2_664 ?
O25 Cs3A O18 92.0(10) 2_664 2_664 ?
Cs5 Cs3A O18 86.6(8) 2_564 2_664 ?
O20 Cs3A O18 99.1(9) 1_655 2_664 ?
O19 Cs3A O18 143.0(10) 1_655 2_664 ?
O13 Cs3A O18 70.8(8) 2_564 2_664 ?
Cs3 Cs3A O12 72.3(14) . 2_564 ?
O25 Cs3A O12 131.4(12) 2_664 2_564 ?
Cs5 Cs3A O12 72.8(6) 2_564 2_564 ?
O20 Cs3A O12 132.1(11) 1_655 2_564 ?
O19 Cs3A O12 100.4(9) 1_655 2_564 ?
O13 Cs3A O12 43.8(6) 2_564 2_564 ?
O18 Cs3A O12 114.2(11) 2_664 2_564 ?
Cs3 Cs3A B10 119(2) . 2_664 ?
O25 Cs3A B10 70.7(10) 2_664 2_664 ?
Cs5 Cs3A B10 71.9(8) 2_564 2_664 ?
O20 Cs3A B10 101.3(9) 1_655 2_664 ?
O19 Cs3A B10 135.7(12) 1_655 2_664 ?
O13 Cs3A B10 80.4(8) 2_564 2_664 ?
O18 Cs3A B10 22.7(6) 2_664 2_664 ?
O12 Cs3A B10 122.8(10) 2_564 2_664 ?
Cs3 Cs3A B6 83.2(15) . 2_564 ?
O25 Cs3A B6 113.9(13) 2_664 2_564 ?
Cs5 Cs3A B6 67.4(8) 2_564 2_564 ?
O20 Cs3A B6 126.2(10) 1_655 2_564 ?
O19 Cs3A B6 86.0(9) 1_655 2_564 ?
O13 Cs3A B6 60.3(8) 2_564 2_564 ?
O18 Cs3A B6 130.7(11) 2_664 2_564 ?
O12 Cs3A B6 19.9(7) 2_564 2_564 ?
B10 Cs3A B6 132.4(10) 2_664 2_564 ?
Cs3 Cs3A B11 79.7(13) . 1_655 ?
O25 Cs3A B11 68.7(10) 2_664 1_655 ?
Cs5 Cs3A B11 129.7(12) 2_564 1_655 ?
O20 Cs3A B11 23.4(6) 1_655 1_655 ?
O19 Cs3A B11 22.9(6) 1_655 1_655 ?
O13 Cs3A B11 160.1(12) 2_564 1_655 ?
O18 Cs3A B11 120.1(10) 2_664 1_655 ?
O12 Cs3A B11 120.9(9) 2_564 1_655 ?
B10 Cs3A B11 116.2(10) 2_664 1_655 ?
B6 Cs3A B11 108.5(10) 2_564 1_655 ?
Cs3 Cs3A B10 100.9(16) . 1_655 ?
O25 Cs3A B10 59.5(9) 2_664 1_655 ?
Cs5 Cs3A B10 94.5(10) 2_564 1_655 ?
O20 Cs3A B10 63.4(8) 1_655 1_655 ?
O19 Cs3A B10 22.9(6) 1_655 1_655 ?
O13 Cs3A B10 137.3(10) 2_564 1_655 ?
O18 Cs3A B10 148.3(12) 2_664 1_655 ?
O12 Cs3A B10 96.2(9) 2_564 1_655 ?
B10 Cs3A B10 129.8(13) 2_664 1_655 ?
B6 Cs3A B10 77.7(9) 2_564 1_655 ?
B11 Cs3A B10 40.0(7) 1_655 1_655 ?
O23 O23A Cs5 160(3) . . ?
O23 O23A Cs2 87(2) . 1_565 ?
Cs5 O23A Cs2 110.8(14) . 1_565 ?
O23 O23A H23B 10.5 . . ?
Cs5 O23A H23B 156.7 . . ?
Cs2 O23A H23B 92.5 1_565 . ?

_refine_diff_density_max         2.365
_refine_diff_density_min         -2.190
_refine_diff_density_rms         0.341

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2042550'
loop_
_audit_author_name
_audit_author_address
'Qi-Ming Qiu'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2021-08-04 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B24 Cs10 H16 Li2 O50'
_chemical_formula_weight         2418.55

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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

_cell_length_a                   18.5529(5)
_cell_length_b                   10.8877(3)
_cell_length_c                   13.0326(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.274(2)
_cell_angle_gamma                90
_cell_volume                     2616.80(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    29040
_cell_measurement_theta_min      1.658
_cell_measurement_theta_max      31.601

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.069
_exptl_crystal_F_000             2184
_exptl_transmission_factor_min   0.822
_exptl_transmission_factor_max   1.000
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    7.001
_shelx_estimated_absorpt_T_min   0.604
_shelx_estimated_absorpt_T_max   0.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23959
_diffrn_reflns_av_unetI/netI     0.0121
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.172
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_full        25.049
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4628
_reflns_number_gt                4458
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0272P)²+30.3753P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4628
_refine_ls_number_parameters     405
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.0829
_refine_ls_wR_factor_gt          0.0820
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
O11 O 1.1236(2) 1.0015(3) 0.7332(3) 0.0137(8) Uani 1 1 d . . . . .
O7 O 1.1241(2) 0.7988(3) 0.6627(3) 0.0134(8) Uani 1 1 d . . . . .
B6 B 1.1346(3) 0.8800(6) 0.7412(5) 0.0124(12) Uani 1 1 d . . . . .
B11 B 0.6061(3) 0.0633(6) 0.6276(5) 0.0121(12) Uani 1 1 d . . . . .
O20 O 0.66036(19) 0.1637(3) 0.6206(3) 0.0153(8) Uani 1 1 d . . . . .
O1 O 0.8078(2) 0.8671(4) 0.9125(4) 0.0342(12) Uani 1 1 d . . . . .
H1 H 0.768635 0.837650 0.890455 0.041 Uiso 1 1 d R U . . .
O2 O 0.8398(2) 0.6605(3) 0.8780(3) 0.0157(8) Uani 1 1 d . . . . .
O3 O 0.9291(2) 0.8118(3) 0.9363(3) 0.0165(8) Uani 1 1 d . . . . .
O4 O 1.0215(2) 0.6938(4) 1.0336(3) 0.0141(8) Uani 1 1 d . . . . .
O5 O 0.9672(2) 0.6176(4) 0.8686(3) 0.0164(8) Uani 1 1 d . . . . .
O6 O 0.8941(2) 0.4751(4) 0.9524(3) 0.0147(8) Uani 1 1 d . . . . .
O8 O 1.14470(19) 0.7178(4) 0.9860(3) 0.0144(8) Uani 1 1 d . . . . .
O9 O 1.0439(2) 0.7935(4) 0.8733(3) 0.0170(8) Uani 1 1 d . . . . .
O10 O 1.16350(19) 0.8329(4) 0.8386(3) 0.0129(8) Uani 1 1 d . . . . .
B1 B 0.8596(3) 0.7759(6) 0.9083(5) 0.0160(13) Uani 1 1 d . . . . .
B2 B 0.9902(3) 0.7256(6) 0.9292(5) 0.0112(11) Uani 1 1 d . . . . .
B3 B 0.8963(3) 0.5627(6) 0.8691(5) 0.0129(12) Uani 1 1 d . . . . .
B4 B 1.0970(3) 0.6570(6) 1.0570(5) 0.0130(12) Uani 1 1 d . . . . .
B5 B 1.1157(3) 0.7796(5) 0.9016(4) 0.0101(11) Uani 1 1 d . . . . .
O22 O 0.3534(2) 0.2240(4) 0.5103(3) 0.0156(8) Uani 1 1 d . . . . .
O12 O 0.4562(2) 0.2860(4) 0.6258(3) 0.0176(8) Uani 1 1 d . . . . .
O13 O 0.33805(19) 0.3397(4) 0.6583(3) 0.0131(8) Uani 1 1 d . . . . .
O14 O 0.3737(2) 0.5059(4) 0.7679(3) 0.0161(8) Uani 1 1 d . . . . .
O15 O 0.3730(2) 0.3026(3) 0.8349(3) 0.0138(8) Uani 1 1 d . . . . .
O16 O 0.4754(2) 0.1890(3) 0.4634(3) 0.0130(8) Uani 1 1 d . . . . .
O17 O 0.5687(2) 0.3086(3) 0.5572(3) 0.0151(8) Uani 1 1 d . . . . .
O18 O 0.5335(2) 0.1116(4) 0.6245(3) 0.0148(8) Uani 1 1 d . . . . .
O19 O 0.3870(2) 0.0255(3) 0.4542(3) 0.0149(8) Uani 1 1 d . . . . .
O21 O 0.6902(2) 0.3694(4) 0.5865(3) 0.0224(9) Uani 1 1 d . . . . .
H21 H 0.730644 0.347465 0.611970 0.027 Uiso 1 1 d R U . . .
B7 B 0.3841(3) 0.2803(5) 0.5967(4) 0.0108(11) Uani 1 1 d . . . . .
B8 B 0.3638(3) 0.3841(6) 0.7569(4) 0.0104(11) Uani 1 1 d . . . . .
B9 B 0.3988(3) 0.1563(5) 0.4413(4) 0.0103(11) Uani 1 1 d . . . . .
B10 B 0.5087(3) 0.2207(6) 0.5668(4) 0.0112(12) Uani 1 1 d . . . . .
B12 B 0.6380(3) 0.2775(6) 0.5886(4) 0.0107(11) Uani 1 1 d . . . . .
O25 O 0.9165(3) 0.8183(5) 0.6760(4) 0.0455(14) Uani 1 1 d . . . . .
H25A H 0.946625 0.819386 0.631051 0.055 Uiso 1 1 d R U . . .
H25B H 0.935156 0.786532 0.733134 0.055 Uiso 1 1 d R U . . .
O23 O 0.5623(3) 0.3117(5) 0.8106(4) 0.0419(13) Uani 1 1 d D . . . .
H23A H 0.574110 0.265312 0.758647 0.050 Uiso 1 1 d R U . . .
H23B H 0.557364 0.380786 0.849066 0.050 Uiso 1 1 d DR U . . .
O24 O 0.6778(5) 0.4995(8) 0.8478(6) 0.096(3) Uani 1 1 d D U . . .
H24A H 0.667765 0.428868 0.822072 0.115 Uiso 1 1 d DR U . . .
H24B H 0.641520 0.520850 0.879408 0.115 Uiso 1 1 d DR U . . .
Li2 Li 1.000000 0.500000 1.000000 0.020(3) Uani 1 2 d S . P . .
Li1 Li 0.500000 0.000000 0.500000 0.022(3) Uani 1 2 d S . P . .
Cs1 Cs 0.97976(3) 0.06041(4) 0.84034(3) 0.03232(12) Uani 1 1 d . . . . .
Cs2 Cs 0.47426(3) 0.05826(4) 0.83500(4) 0.03382(12) Uani 1 1 d . . . . .
Cs3 Cs 0.75414(3) 0.62573(4) 0.65099(4) 0.04325(15) Uani 1 1 d . . . . .
Cs4 Cs 0.78101(6) 0.97656(10) 0.57702(8) 0.0384(2) Uani 0.9 1 d . . P . .
Cs5 Cs 0.72268(4) 0.18974(8) 0.85812(4) 0.0705(2) Uani 1 1 d . . . . .
Cs4A Cs 0.7909(6) 0.9984(10) 0.6133(6) 0.033(2) Uani 0.1 1 d . . P . .


_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
O11 B6 1.341(8) . ?
O11 B3 1.501(7) 2_756 ?
O11 Cs3 2.916(4) 2_756 ?
O11 Cs1 3.209(4) 1_565 ?
O7 B6 1.349(7) . ?
O7 B4 1.493(7) 4_575 ?
O7 Cs5 3.119(4) 2_756 ?
O7 Cs1 3.231(4) 2_756 ?
B6 O10 1.419(7) . ?
B6 Cs3 3.572(6) 2_756 ?
B6 Cs5 3.704(6) 2_756 ?
B6 Cs1 3.821(6) 1_565 ?
B11 O18 1.442(7) . ?
B11 O19 1.455(7) 3_656 ?
B11 O20 1.495(7) . ?
B11 O14 1.508(7) 2_646 ?
B11 Li1 2.530(6) . ?
B11 Cs4 3.511(6) 1_545 ?
B11 Cs4A 3.525(13) 1_545 ?
B11 Cs5 3.766(6) . ?
B11 Cs2 3.839(6) . ?
O20 B12 1.358(7) . ?
O20 Cs4A 3.027(12) 1_545 ?
O20 Cs4 3.124(4) 1_545 ?
O20 Cs5 3.197(4) . ?
O1 B1 1.388(8) . ?
O1 Cs3 3.366(6) 4_576 ?
O1 H1 0.8162 . ?
O2 B1 1.355(8) . ?
O2 B3 1.508(7) . ?
O2 Cs3 3.225(4) . ?
O2 Cs4 3.281(4) 4_576 ?
O2 Cs4A 3.719(9) 4_576 ?
O3 B1 1.357(7) . ?
O3 B2 1.483(7) . ?
O3 Cs1 3.168(4) 1_565 ?
O3 Cs1 3.492(4) 3_767 ?
O4 B4 1.458(7) . ?
O4 B2 1.460(7) . ?
O4 Li2 2.182(4) . ?
O4 Cs1 3.142(4) 3_767 ?
O5 B3 1.444(7) . ?
O5 B2 1.455(7) . ?
O5 Li2 2.171(4) . ?
O5 Cs1 3.060(4) 2_756 ?
O6 B3 1.448(7) . ?
O6 B4 1.454(7) 3_767 ?
O6 Li2 2.013(4) . ?
O6 Cs4 2.840(4) 4_576 ?
O6 Cs4A 3.005(11) 4_576 ?
O8 B5 1.350(7) . ?
O8 B4 1.503(7) . ?
O8 Cs4A 3.024(12) 2_746 ?
O8 Cs4 3.118(4) 2_746 ?
O8 Cs5 3.179(4) 3_767 ?
O9 B5 1.351(7) . ?
O9 B2 1.493(7) . ?
O9 Cs1 3.152(4) 1_565 ?
O9 Cs1 3.758(4) 2_756 ?
O10 B5 1.400(7) . ?
O10 Cs3 3.531(4) 2_756 ?
O10 Cs4A 3.776(11) 2_746 ?
B1 Cs4 3.901(7) 4_576 ?
B2 Li2 2.623(6) . ?
B2 Cs1 3.793(6) 3_767 ?
B2 Cs1 3.823(6) 1_565 ?
B3 Li2 2.522(6) . ?
B3 Cs4 3.657(6) 4_576 ?
B3 Cs3 3.724(6) . ?
B3 Cs1 3.756(6) 2_756 ?
B3 Cs4A 3.970(11) 4_576 ?
B4 Li2 2.534(6) . ?
B4 Cs4 3.591(6) 2_746 ?
B4 Cs4A 3.639(13) 2_746 ?
B4 Cs1 3.702(6) 3_767 ?
B4 Cs5 3.793(6) 3_767 ?
B5 Cs4A 3.534(12) 2_746 ?
B5 Cs4 3.811(6) 2_746 ?
O22 B7 1.352(7) . ?
O22 B9 1.492(7) . ?
O22 Cs3 3.188(4) 3_666 ?
O22 Cs4 3.415(4) 3_666 ?
O12 B7 1.352(7) . ?
O12 B10 1.487(7) . ?
O12 Cs2 3.252(4) 2_656 ?
O12 Cs2 3.673(4) . ?
O13 B7 1.393(7) . ?
O13 B8 1.407(7) . ?
O14 B8 1.345(7) . ?
O14 Cs5 3.043(4) 2_656 ?
O14 Cs2 3.302(4) 2_656 ?
O14 Cs4A 3.573(12) 2_646 ?
O14 Cs4 3.701(4) 2_646 ?
O15 B8 1.345(7) . ?
O15 B9 1.486(7) 4_566 ?
O15 Cs3 3.066(4) 2_646 ?
O15 Cs2 3.256(4) . ?
O15 Cs4 3.714(4) 2_646 ?
O16 B9 1.462(7) . ?
O16 B10 1.462(7) . ?
O16 Li1 2.150(4) . ?
O16 Cs2 3.219(4) 4_565 ?
O17 B12 1.350(7) . ?
O17 B10 1.483(7) . ?
O17 Cs2 3.201(4) 2_656 ?
O17 Cs2 3.528(4) 4_565 ?
O18 B10 1.454(7) . ?
O18 Li1 2.067(4) . ?
O18 Cs2 3.120(4) . ?
O19 B9 1.453(7) . ?
O19 Li1 2.134(4) . ?
O19 Cs4 3.099(4) 3_666 ?
O19 Cs4A 3.332(11) 3_666 ?
O21 B12 1.394(7) . ?
O21 Cs3 3.112(4) . ?
O21 Cs5 3.167(5) 4_565 ?
O21 H21 0.8221 . ?
B8 Cs4A 3.703(13) 2_646 ?
B8 Cs4 3.767(6) 2_646 ?
B8 Cs3 3.836(6) 2_646 ?
B8 Cs2 3.852(6) 2_656 ?
B8 Cs5 3.921(6) 2_656 ?
B9 Li1 2.587(6) . ?
B9 Cs4 3.620(6) 3_666 ?
B9 Cs2 3.736(6) 4_565 ?
B9 Cs3 3.793(6) 3_666 ?
B9 Cs4A 3.897(12) 3_666 ?
B10 Li1 2.555(6) . ?
B10 Cs2 3.860(6) 4_565 ?
B10 Cs2 3.893(6) 2_656 ?
B12 Cs5 3.557(6) 4_565 ?
B12 Cs5 3.810(6) . ?
B12 Cs2 3.889(6) 2_656 ?
O25 Cs4A 3.087(12) . ?
O25 Cs4 3.200(5) . ?
O25 Cs1 3.424(5) 2_756 ?
O25 Cs1 3.517(6) 1_565 ?
O25 Cs3 3.655(6) . ?
O25 H25A 0.8531 . ?
O25 H25B 0.8590 . ?
O23 Cs2 3.240(5) . ?
O23 Cs5 3.255(6) . ?
O23 Cs2 3.315(6) 2_656 ?
O23 H23A 0.8916 . ?
O23 H23B 0.9136 . ?
O24 Cs3 3.356(9) . ?
O24 Cs4 3.378(9) 4_576 ?
O24 Cs5 3.473(8) . ?
O24 Cs2 3.546(9) 2_656 ?
O24 H24A 0.8511 . ?
O24 H24B 0.8594 . ?
Cs2 H23A 3.1474 . ?
Cs3 H21 3.0950 . ?
Cs4 Cs4A 0.543(7) . ?
Cs5 H23B 3.6971 . ?
Cs5 H24A 2.8165 . ?

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
B6 O11 B3 121.8(4) . 2_756 ?
B6 O11 Cs3 108.4(3) . 2_756 ?
B3 O11 Cs3 110.9(3) 2_756 2_756 ?
B6 O11 Cs1 106.9(3) . 1_565 ?
B3 O11 Cs1 99.3(3) 2_756 1_565 ?
Cs3 O11 Cs1 108.60(11) 2_756 1_565 ?
B6 O7 B4 119.6(4) . 4_575 ?
B6 O7 Cs5 105.0(3) . 2_756 ?
B4 O7 Cs5 105.1(3) 4_575 2_756 ?
B6 O7 Cs1 124.9(3) . 2_756 ?
B4 O7 Cs1 96.2(3) 4_575 2_756 ?
Cs5 O7 Cs1 103.96(11) 2_756 2_756 ?
O11 B6 O7 125.4(5) . . ?
O11 B6 O10 117.7(5) . . ?
O7 B6 O10 116.8(5) . . ?
O11 B6 Cs3 50.8(3) . 2_756 ?
O7 B6 Cs3 144.9(4) . 2_756 ?
O10 B6 Cs3 76.9(3) . 2_756 ?
O11 B6 Cs5 129.3(4) . 2_756 ?
O7 B6 Cs5 54.4(3) . 2_756 ?
O10 B6 Cs5 84.1(3) . 2_756 ?
Cs3 B6 Cs5 98.74(14) 2_756 2_756 ?
O11 B6 Cs1 53.5(3) . 1_565 ?
O7 B6 Cs1 122.8(3) . 1_565 ?
O10 B6 Cs1 96.2(3) . 1_565 ?
Cs3 B6 Cs1 84.55(14) 2_756 1_565 ?
Cs5 B6 Cs1 176.65(19) 2_756 1_565 ?
O18 B11 O19 112.2(4) . 3_656 ?
O18 B11 O20 111.4(4) . . ?
O19 B11 O20 109.1(4) 3_656 . ?
O18 B11 O14 108.4(4) . 2_646 ?
O19 B11 O14 110.7(4) 3_656 2_646 ?
O20 B11 O14 104.8(4) . 2_646 ?
O18 B11 Li1 54.8(2) . . ?
O19 B11 Li1 57.4(2) 3_656 . ?
O20 B11 Li1 129.8(4) . . ?
O14 B11 Li1 125.4(4) 2_646 . ?
O18 B11 Cs4 166.5(4) . 1_545 ?
O19 B11 Cs4 61.7(3) 3_656 1_545 ?
O20 B11 Cs4 62.8(3) . 1_545 ?
O14 B11 Cs4 85.1(3) 2_646 1_545 ?
Li1 B11 Cs4 118.2(2) . 1_545 ?
O18 B11 Cs4A 169.2(4) . 1_545 ?
O19 B11 Cs4A 70.4(3) 3_656 1_545 ?
O20 B11 Cs4A 58.5(3) . 1_545 ?
O14 B11 Cs4A 79.5(3) 2_646 1_545 ?
Li1 B11 Cs4A 127.0(2) . 1_545 ?
Cs4 B11 Cs4A 8.85(11) 1_545 1_545 ?
O18 B11 Cs5 110.0(3) . . ?
O19 B11 Cs5 137.6(3) 3_656 . ?
O20 B11 Cs5 56.6(2) . . ?
O14 B11 Cs5 50.7(2) 2_646 . ?
Li1 B11 Cs5 164.1(2) . . ?
Cs4 B11 Cs5 77.65(12) 1_545 . ?
Cs4A B11 Cs5 68.79(15) 1_545 . ?
O18 B11 Cs2 50.2(2) . . ?
O19 B11 Cs2 128.3(3) 3_656 . ?
O20 B11 Cs2 122.6(3) . . ?
O14 B11 Cs2 58.2(3) 2_646 . ?
Li1 B11 Cs2 87.07(16) . . ?
Cs4 B11 Cs2 143.26(17) 1_545 . ?
Cs4A B11 Cs2 137.1(2) 1_545 . ?
Cs5 B11 Cs2 78.35(11) . . ?
B12 O20 B11 120.0(4) . . ?
B12 O20 Cs4A 138.7(4) . 1_545 ?
B11 O20 Cs4A 96.5(4) . 1_545 ?
B12 O20 Cs4 137.8(3) . 1_545 ?
B11 O20 Cs4 92.0(3) . 1_545 ?
Cs4A O20 Cs4 9.97(13) 1_545 1_545 ?
B12 O20 Cs5 106.4(3) . . ?
B11 O20 Cs5 100.4(3) . . ?
Cs4A O20 Cs5 82.94(16) 1_545 . ?
Cs4 O20 Cs5 92.48(10) 1_545 . ?
B1 O1 Cs3 109.2(4) . 4_576 ?
B1 O1 H1 107.4 . . ?
Cs3 O1 H1 89.6 4_576 . ?
B1 O2 B3 120.6(4) . . ?
B1 O2 Cs3 117.9(3) . . ?
B3 O2 Cs3 97.1(3) . . ?
B1 O2 Cs4 107.1(3) . 4_576 ?
B3 O2 Cs4 91.9(3) . 4_576 ?
Cs3 O2 Cs4 119.91(11) . 4_576 ?
B1 O2 Cs4A 105.9(4) . 4_576 ?
B3 O2 Cs4A 88.2(3) . 4_576 ?
Cs3 O2 Cs4A 124.2(2) . 4_576 ?
Cs4 O2 Cs4A 5.27(17) 4_576 4_576 ?
B1 O3 B2 120.8(5) . . ?
B1 O3 Cs1 117.0(3) . 1_565 ?
B2 O3 Cs1 104.7(3) . 1_565 ?
B1 O3 Cs1 134.2(4) . 3_767 ?
B2 O3 Cs1 90.0(3) . 3_767 ?
Cs1 O3 Cs1 81.42(9) 1_565 3_767 ?
B4 O4 B2 122.4(4) . . ?
B4 O4 Li2 85.8(3) . . ?
B2 O4 Li2 89.9(3) . . ?
B4 O4 Cs1 100.7(3) . 3_767 ?
B2 O4 Cs1 105.1(3) . 3_767 ?
Li2 O4 Cs1 156.45(16) . 3_767 ?
B3 O5 B2 123.1(4) . . ?
B3 O5 Li2 86.0(3) . . ?
B2 O5 Li2 90.5(3) . . ?
B3 O5 Cs1 107.5(3) . 2_756 ?
B2 O5 Cs1 122.9(3) . 2_756 ?
Li2 O5 Cs1 119.49(15) . 2_756 ?
B3 O6 B4 125.1(4) . 3_767 ?
B3 O6 Li2 92.1(3) . . ?
B4 O6 Li2 92.5(3) 3_767 . ?
B3 O6 Cs4 112.9(3) . 4_576 ?
B4 O6 Cs4 109.2(3) 3_767 4_576 ?
Li2 O6 Cs4 123.78(15) . 4_576 ?
B3 O6 Cs4A 122.2(4) . 4_576 ?
B4 O6 Cs4A 103.9(4) 3_767 4_576 ?
Li2 O6 Cs4A 116.5(2) . 4_576 ?
Cs4 O6 Cs4A 10.17(15) 4_576 4_576 ?
B5 O8 B4 120.8(4) . . ?
B5 O8 Cs4A 100.8(3) . 2_746 ?
B4 O8 Cs4A 101.7(4) . 2_746 ?
B5 O8 Cs4 110.8(3) . 2_746 ?
B4 O8 Cs4 95.6(3) . 2_746 ?
Cs4A O8 Cs4 10.00(12) 2_746 2_746 ?
B5 O8 Cs5 125.1(3) . 3_767 ?
B4 O8 Cs5 102.3(3) . 3_767 ?
Cs4A O8 Cs5 102.1(2) 2_746 3_767 ?
Cs4 O8 Cs5 95.83(10) 2_746 3_767 ?
B5 O9 B2 120.1(4) . . ?
B5 O9 Cs1 119.1(3) . 1_565 ?
B2 O9 Cs1 105.1(3) . 1_565 ?
B5 O9 Cs1 99.1(3) . 2_756 ?
B2 O9 Cs1 89.8(3) . 2_756 ?
Cs1 O9 Cs1 120.66(11) 1_565 2_756 ?
B5 O10 B6 118.3(4) . . ?
B5 O10 Cs3 130.6(3) . 2_756 ?
B6 O10 Cs3 80.1(3) . 2_756 ?
B5 O10 Cs4A 69.4(3) . 2_746 ?
B6 O10 Cs4A 123.5(4) . 2_746 ?
Cs3 O10 Cs4A 140.9(2) 2_756 2_746 ?
O2 B1 O3 124.4(5) . . ?
O2 B1 O1 120.5(5) . . ?
O3 B1 O1 115.2(5) . . ?
O2 B1 Cs4 53.5(3) . 4_576 ?
O3 B1 Cs4 117.0(4) . 4_576 ?
O1 B1 Cs4 100.3(4) . 4_576 ?
O5 B2 O4 112.1(5) . . ?
O5 B2 O3 111.3(4) . . ?
O4 B2 O3 108.7(4) . . ?
O5 B2 O9 107.9(4) . . ?
O4 B2 O9 110.7(4) . . ?
O3 B2 O9 105.8(4) . . ?
O5 B2 Li2 55.8(3) . . ?
O4 B2 Li2 56.3(2) . . ?
O3 B2 Li2 126.5(4) . . ?
O9 B2 Li2 127.7(4) . . ?
O5 B2 Cs1 159.3(4) . 3_767 ?
O4 B2 Cs1 53.1(3) . 3_767 ?
O3 B2 Cs1 67.0(3) . 3_767 ?
O9 B2 Cs1 92.0(3) . 3_767 ?
Li2 B2 Cs1 107.36(18) . 3_767 ?
O5 B2 Cs1 127.2(3) . 1_565 ?
O4 B2 Cs1 120.7(3) . 1_565 ?
O3 B2 Cs1 53.3(2) . 1_565 ?
O9 B2 Cs1 52.7(2) . 1_565 ?
Li2 B2 Cs1 177.0(2) . 1_565 ?
Cs1 B2 Cs1 69.67(11) 3_767 1_565 ?
O5 B3 O6 112.0(4) . . ?
O5 B3 O11 108.4(4) . 2_746 ?
O6 B3 O11 110.4(4) . 2_746 ?
O5 B3 O2 110.4(5) . . ?
O6 B3 O2 109.3(4) . . ?
O11 B3 O2 106.0(4) 2_746 . ?
O5 B3 Li2 59.2(3) . . ?
O6 B3 Li2 52.9(2) . . ?
O11 B3 Li2 125.2(4) 2_746 . ?
O2 B3 Li2 128.6(4) . . ?
O5 B3 Cs4 131.1(3) . 4_576 ?
O6 B3 Cs4 45.7(2) . 4_576 ?
O11 B3 Cs4 120.0(3) 2_746 4_576 ?
O2 B3 Cs4 63.7(3) . 4_576 ?
Li2 B3 Cs4 86.09(16) . 4_576 ?
O5 B3 Cs3 119.3(3) . . ?
O6 B3 Cs3 128.1(3) . . ?
O11 B3 Cs3 47.0(2) 2_746 . ?
O2 B3 Cs3 59.2(2) . . ?
Li2 B3 Cs3 172.1(2) . . ?
Cs4 B3 Cs3 99.45(15) 4_576 . ?
O5 B3 Cs1 51.0(2) . 2_756 ?
O6 B3 Cs1 127.6(3) . 2_756 ?
O11 B3 Cs1 57.5(3) 2_746 2_756 ?
O2 B3 Cs1 123.1(3) . 2_756 ?
Li2 B3 Cs1 90.44(17) . 2_756 ?
Cs4 B3 Cs1 172.73(19) 4_576 2_756 ?
Cs3 B3 Cs1 83.41(12) . 2_756 ?
O5 B3 Cs4A 126.9(4) . 4_576 ?
O6 B3 Cs4A 39.8(3) . 4_576 ?
O11 B3 Cs4A 122.9(4) 2_746 4_576 ?
O2 B3 Cs4A 69.4(3) . 4_576 ?
Li2 B3 Cs4A 79.5(2) . 4_576 ?
Cs4 B3 Cs4A 6.68(14) 4_576 4_576 ?
Cs3 B3 Cs4A 105.8(2) . 4_576 ?
Cs1 B3 Cs4A 167.4(2) 2_756 4_576 ?
O6 B4 O4 111.6(5) 3_767 . ?
O6 B4 O7 111.5(4) 3_767 4_576 ?
O4 B4 O7 108.9(4) . 4_576 ?
O6 B4 O8 107.7(4) 3_767 . ?
O4 B4 O8 111.5(4) . . ?
O7 B4 O8 105.3(4) 4_576 . ?
O6 B4 Li2 52.5(2) 3_767 . ?
O4 B4 Li2 59.2(3) . . ?
O7 B4 Li2 130.2(4) 4_576 . ?
O8 B4 Li2 124.3(4) . . ?
O6 B4 Cs4 48.3(3) 3_767 2_746 ?
O4 B4 Cs4 133.7(3) . 2_746 ?
O7 B4 Cs4 117.3(3) 4_576 2_746 ?
O8 B4 Cs4 59.8(3) . 2_746 ?
Li2 B4 Cs4 87.34(17) . 2_746 ?
O6 B4 Cs4A 53.3(3) 3_767 2_746 ?
O4 B4 Cs4A 127.1(4) . 2_746 ?
O7 B4 Cs4A 123.9(4) 4_576 2_746 ?
O8 B4 Cs4A 54.5(3) . 2_746 ?
Li2 B4 Cs4A 86.3(2) . 2_746 ?
Cs4 B4 Cs4A 8.59(11) 2_746 2_746 ?
O6 B4 Cs1 154.7(4) 3_767 3_767 ?
O4 B4 Cs1 56.5(3) . 3_767 ?
O7 B4 Cs1 60.2(3) 4_576 3_767 ?
O8 B4 Cs1 97.6(3) . 3_767 ?
Li2 B4 Cs1 112.2(2) . 3_767 ?
Cs4 B4 Cs1 156.68(19) 2_746 3_767 ?
Cs4A B4 Cs1 152.0(2) 2_746 3_767 ?
O6 B4 Cs5 110.8(3) 3_767 3_767 ?
O4 B4 Cs5 137.5(4) . 3_767 ?
O7 B4 Cs5 52.5(2) 4_576 3_767 ?
O8 B4 Cs5 55.0(2) . 3_767 ?
Li2 B4 Cs5 163.3(2) . 3_767 ?
Cs4 B4 Cs5 78.46(12) 2_746 3_767 ?
Cs4A B4 Cs5 80.9(2) 2_746 3_767 ?
Cs1 B4 Cs5 83.74(13) 3_767 3_767 ?
O8 B5 O9 124.9(5) . . ?
O8 B5 O10 117.6(5) . . ?
O9 B5 O10 117.5(5) . . ?
O8 B5 Cs4A 57.2(3) . 2_746 ?
O9 B5 Cs4A 123.8(4) . 2_746 ?
O10 B5 Cs4A 88.9(3) . 2_746 ?
O8 B5 Cs4 49.9(3) . 2_746 ?
O9 B5 Cs4 126.1(4) . 2_746 ?
O10 B5 Cs4 93.2(3) . 2_746 ?
Cs4A B5 Cs4 7.30(13) 2_746 2_746 ?
B7 O22 B9 120.8(4) . . ?
B7 O22 Cs3 119.5(3) . 3_666 ?
B9 O22 Cs3 102.1(3) . 3_666 ?
B7 O22 Cs4 142.4(3) . 3_666 ?
B9 O22 Cs4 85.6(3) . 3_666 ?
Cs3 O22 Cs4 74.14(8) 3_666 3_666 ?
B7 O12 B10 121.2(4) . . ?
B7 O12 Cs2 116.7(3) . 2_656 ?
B10 O12 Cs2 104.2(3) . 2_656 ?
B7 O12 Cs2 100.6(3) . . ?
B10 O12 Cs2 92.9(3) . . ?
Cs2 O12 Cs2 119.76(11) 2_656 . ?
B7 O13 B8 121.1(4) . . ?
B8 O14 B11 121.5(4) . 2_656 ?
B8 O14 Cs5 121.7(3) . 2_656 ?
B11 O14 Cs5 106.7(3) 2_656 2_656 ?
B8 O14 Cs2 103.9(3) . 2_656 ?
B11 O14 Cs2 99.0(3) 2_656 2_656 ?
Cs5 O14 Cs2 98.33(10) 2_656 2_656 ?
B8 O14 Cs4A 84.9(4) . 2_646 ?
B11 O14 Cs4A 76.0(3) 2_656 2_646 ?
Cs5 O14 Cs4A 76.64(15) 2_656 2_646 ?
Cs2 O14 Cs4A 171.3(2) 2_656 2_646 ?
B8 O14 Cs4 82.4(3) . 2_646 ?
B11 O14 Cs4 70.9(3) 2_656 2_646 ?
Cs5 O14 Cs4 84.62(10) 2_656 2_646 ?
Cs2 O14 Cs4 169.95(12) 2_656 2_646 ?
Cs4A O14 Cs4 8.33(11) 2_646 2_646 ?
B8 O15 B9 120.5(4) . 4_566 ?
B8 O15 Cs3 115.1(3) . 2_646 ?
B9 O15 Cs3 107.7(3) 4_566 2_646 ?
B8 O15 Cs2 124.4(3) . . ?
B9 O15 Cs2 96.8(3) 4_566 . ?
Cs3 O15 Cs2 86.25(9) 2_646 . ?
B8 O15 Cs4 81.9(3) . 2_646 ?
B9 O15 Cs4 74.8(3) 4_566 2_646 ?
Cs3 O15 Cs4 71.25(8) 2_646 2_646 ?
Cs2 O15 Cs4 151.63(12) . 2_646 ?
B9 O16 B10 122.9(4) . . ?
B9 O16 Li1 89.4(3) . . ?
B10 O16 Li1 87.9(3) . . ?
B9 O16 Cs2 98.9(3) . 4_565 ?
B10 O16 Cs2 104.8(3) . 4_565 ?
Li1 O16 Cs2 157.30(16) . 4_565 ?
B12 O17 B10 120.7(4) . . ?
B12 O17 Cs2 110.8(3) . 2_656 ?
B10 O17 Cs2 106.6(3) . 2_656 ?
B12 O17 Cs2 136.3(3) . 4_565 ?
B10 O17 Cs2 91.4(3) . 4_565 ?
Cs2 O17 Cs2 83.47(9) 2_656 4_565 ?
B11 O18 B10 123.7(4) . . ?
B11 O18 Li1 90.4(3) . . ?
B10 O18 Li1 91.3(3) . . ?
B11 O18 Cs2 109.0(3) . . ?
B10 O18 Cs2 119.0(3) . . ?
Li1 O18 Cs2 118.42(15) . . ?
B9 O19 B11 122.7(4) . 3_656 ?
B9 O19 Li1 90.2(3) . . ?
B11 O19 Li1 87.5(3) 3_656 . ?
B9 O19 Cs4 98.9(3) . 3_666 ?
B11 O19 Cs4 93.8(3) 3_656 3_666 ?
Li1 O19 Cs4 168.20(17) . 3_666 ?
B9 O19 Cs4A 101.8(3) . 3_666 ?
B11 O19 Cs4A 85.3(3) 3_656 3_666 ?
Li1 O19 Cs4A 168.0(3) . 3_666 ?
Cs4 O19 Cs4A 8.76(14) 3_666 3_666 ?
B12 O21 Cs3 152.0(4) . . ?
B12 O21 Cs5 94.4(3) . 4_565 ?
Cs3 O21 Cs5 109.26(13) . 4_565 ?
B12 O21 H21 112.9 . . ?
Cs3 O21 H21 81.2 . . ?
Cs5 O21 H21 93.5 4_565 . ?
O22 B7 O12 124.6(5) . . ?
O22 B7 O13 117.5(5) . . ?
O12 B7 O13 117.9(5) . . ?
O15 B8 O14 124.4(5) . . ?
O15 B8 O13 117.7(5) . . ?
O14 B8 O13 117.7(5) . . ?
O15 B8 Cs4A 85.3(3) . 2_646 ?
O14 B8 Cs4A 73.9(3) . 2_646 ?
O13 B8 Cs4A 109.2(3) . 2_646 ?
O15 B8 Cs4 77.4(3) . 2_646 ?
O14 B8 Cs4 76.9(3) . 2_646 ?
O13 B8 Cs4 115.1(3) . 2_646 ?
Cs4A B8 Cs4 8.28(10) 2_646 2_646 ?
O15 B8 Cs3 46.4(3) . 2_646 ?
O14 B8 Cs3 140.0(4) . 2_646 ?
O13 B8 Cs3 83.4(3) . 2_646 ?
Cs4A B8 Cs3 66.82(19) 2_646 2_646 ?
Cs4 B8 Cs3 63.20(9) 2_646 2_646 ?
O15 B8 Cs2 121.4(3) . 2_656 ?
O14 B8 Cs2 56.3(3) . 2_656 ?
O13 B8 Cs2 94.8(3) . 2_656 ?
Cs4A B8 Cs2 130.2(2) 2_646 2_656 ?
Cs4 B8 Cs2 132.57(17) 2_646 2_656 ?
Cs3 B8 Cs2 161.65(17) 2_646 2_656 ?
O15 B8 Cs5 149.5(4) . 2_656 ?
O14 B8 Cs5 41.3(3) . 2_656 ?
O13 B8 Cs5 81.9(3) . 2_656 ?
Cs4A B8 Cs5 65.41(16) 2_646 2_656 ?
Cs4 B8 Cs5 72.83(10) 2_646 2_656 ?
Cs3 B8 Cs5 121.21(14) 2_646 2_656 ?
Cs2 B8 Cs5 76.33(11) 2_656 2_656 ?
O19 B9 O16 111.8(4) . . ?
O19 B9 O15 111.5(4) . 4_565 ?
O16 B9 O15 108.5(4) . 4_565 ?
O19 B9 O22 108.2(4) . . ?
O16 B9 O22 111.2(4) . . ?
O15 B9 O22 105.5(4) 4_565 . ?
O19 B9 Li1 55.6(2) . . ?
O16 B9 Li1 56.2(2) . . ?
O15 B9 Li1 128.6(4) 4_565 . ?
O22 B9 Li1 125.9(3) . . ?
O19 B9 Cs4 57.8(3) . 3_666 ?
O16 B9 Cs4 168.2(4) . 3_666 ?
O15 B9 Cs4 81.9(3) 4_565 3_666 ?
O22 B9 Cs4 70.1(3) . 3_666 ?
Li1 B9 Cs4 112.98(19) . 3_666 ?
O19 B9 Cs2 157.7(4) . 4_565 ?
O16 B9 Cs2 58.3(3) . 4_565 ?
O15 B9 Cs2 59.9(2) 4_565 4_565 ?
O22 B9 Cs2 94.1(3) . 4_565 ?
Li1 B9 Cs2 111.57(18) . 4_565 ?
Cs4 B9 Cs2 133.45(17) 3_666 4_565 ?
O19 B9 Cs3 122.2(3) . 3_666 ?
O16 B9 Cs3 126.0(3) . 3_666 ?
O15 B9 Cs3 50.4(2) 4_565 3_666 ?
O22 B9 Cs3 55.2(2) . 3_666 ?
Li1 B9 Cs3 177.5(2) . 3_666 ?
Cs4 B9 Cs3 64.97(10) 3_666 3_666 ?
Cs2 B9 Cs3 70.10(10) 4_565 3_666 ?
O19 B9 Cs4A 56.8(3) . 3_666 ?
O16 B9 Cs4A 168.5(4) . 3_666 ?
O15 B9 Cs4A 76.6(3) 4_565 3_666 ?
O22 B9 Cs4A 76.4(3) . 3_666 ?
Li1 B9 Cs4A 112.4(2) . 3_666 ?
Cs4 B9 Cs4A 7.14(12) 3_666 3_666 ?
Cs2 B9 Cs4A 131.2(2) 4_565 3_666 ?
Cs3 B9 Cs4A 65.36(19) 3_666 3_666 ?
O18 B10 O16 111.2(4) . . ?
O18 B10 O17 111.9(4) . . ?
O16 B10 O17 108.7(4) . . ?
O18 B10 O12 108.1(4) . . ?
O16 B10 O12 110.8(4) . . ?
O17 B10 O12 106.0(4) . . ?
O18 B10 Li1 54.0(2) . . ?
O16 B10 Li1 57.3(2) . . ?
O17 B10 Li1 126.8(4) . . ?
O12 B10 Li1 127.2(4) . . ?
O18 B10 Cs2 158.5(4) . 4_565 ?
O16 B10 Cs2 53.7(2) . 4_565 ?
O17 B10 Cs2 66.0(3) . 4_565 ?
O12 B10 Cs2 92.6(3) . 4_565 ?
Li1 B10 Cs2 108.72(18) . 4_565 ?
O18 B10 Cs2 126.3(3) . 2_656 ?
O16 B10 Cs2 122.5(3) . 2_656 ?
O17 B10 Cs2 52.0(2) . 2_656 ?
O12 B10 Cs2 54.1(3) . 2_656 ?
Li1 B10 Cs2 178.7(2) . 2_656 ?
Cs2 B10 Cs2 70.69(10) 4_565 2_656 ?
O17 B12 O20 124.8(5) . . ?
O17 B12 O21 117.1(5) . . ?
O20 B12 O21 118.1(5) . . ?
O17 B12 Cs5 102.3(3) . 4_565 ?
O20 B12 Cs5 101.7(3) . 4_565 ?
O21 B12 Cs5 62.6(3) . 4_565 ?
O17 B12 Cs5 128.8(3) . . ?
O20 B12 Cs5 53.6(3) . . ?
O21 B12 Cs5 88.9(3) . . ?
Cs5 B12 Cs5 128.91(16) 4_565 . ?
O17 B12 Cs2 50.3(3) . 2_656 ?
O20 B12 Cs2 142.5(4) . 2_656 ?
O21 B12 Cs2 80.4(3) . 2_656 ?
Cs5 B12 Cs2 115.83(16) 4_565 2_656 ?
Cs5 B12 Cs2 98.02(13) . 2_656 ?
Cs4A O25 Cs4 9.70(13) . . ?
Cs4A O25 Cs1 156.6(2) . 2_756 ?
Cs4 O25 Cs1 147.0(2) . 2_756 ?
Cs4A O25 Cs1 82.9(2) . 1_565 ?
Cs4 O25 Cs1 92.13(14) . 1_565 ?
Cs1 O25 Cs1 120.00(16) 2_756 1_565 ?
Cs4A O25 Cs3 75.5(2) . . ?
Cs4 O25 Cs3 70.72(11) . . ?
Cs1 O25 Cs3 89.28(14) 2_756 . ?
Cs1 O25 Cs3 134.54(15) 1_565 . ?
Cs4A O25 H25A 110.0 . . ?
Cs4 O25 H25A 105.1 . . ?
Cs1 O25 H25A 63.5 2_756 . ?
Cs1 O25 H25A 102.0 1_565 . ?
Cs3 O25 H25A 122.9 . . ?
Cs4A O25 H25B 135.0 . . ?
Cs4 O25 H25B 142.3 . . ?
Cs1 O25 H25B 63.1 2_756 . ?
Cs1 O25 H25B 72.4 1_565 . ?
Cs3 O25 H25B 95.6 . . ?
H25A O25 H25B 111.6 . . ?
Cs2 O23 Cs5 95.39(16) . . ?
Cs2 O23 Cs2 132.23(18) . 2_656 ?
Cs5 O23 Cs2 124.39(15) . 2_656 ?
Cs2 O23 H23A 76.1 . . ?
Cs5 O23 H23A 67.5 . . ?
Cs2 O23 H23A 94.3 2_656 . ?
Cs2 O23 H23B 124.4 . . ?
Cs5 O23 H23B 112.1 . . ?
Cs2 O23 H23B 67.7 2_656 . ?
H23A O23 H23B 158.5 . . ?
Cs3 O24 Cs4 113.5(3) . 4_576 ?
Cs3 O24 Cs5 107.9(2) . . ?
Cs4 O24 Cs5 86.0(2) 4_576 . ?
Cs3 O24 Cs2 77.53(18) . 2_656 ?
Cs4 O24 Cs2 155.9(2) 4_576 2_656 ?
Cs5 O24 Cs2 111.8(3) . 2_656 ?
Cs3 O24 H24A 99.3 . . ?
Cs4 O24 H24A 119.8 4_576 . ?
Cs5 O24 H24A 34.9 . . ?
Cs2 O24 H24A 77.0 2_656 . ?
Cs3 O24 H24B 132.4 . . ?
Cs4 O24 H24B 87.3 4_576 . ?
Cs5 O24 H24B 116.2 . . ?
Cs2 O24 H24B 70.5 2_656 . ?
H24A O24 H24B 106.5 . . ?
O6 Li2 O6 180.0 . 3_767 ?
O6 Li2 O5 69.87(15) . . ?
O6 Li2 O5 110.13(15) 3_767 . ?
O6 Li2 O5 110.13(15) . 3_767 ?
O6 Li2 O5 69.87(15) 3_767 3_767 ?
O5 Li2 O5 180.0 . 3_767 ?
O6 Li2 O4 69.98(15) . 3_767 ?
O6 Li2 O4 110.02(14) 3_767 3_767 ?
O5 Li2 O4 112.50(14) . 3_767 ?
O5 Li2 O4 67.50(14) 3_767 3_767 ?
O6 Li2 O4 110.02(14) . . ?
O6 Li2 O4 69.98(15) 3_767 . ?
O5 Li2 O4 67.50(14) . . ?
O5 Li2 O4 112.50(14) 3_767 . ?
O4 Li2 O4 180.0(2) 3_767 . ?
O6 Li2 B3 35.03(18) . . ?
O6 Li2 B3 144.97(18) 3_767 . ?
O5 Li2 B3 34.85(18) . . ?
O5 Li2 B3 145.15(18) 3_767 . ?
O4 Li2 B3 90.98(17) 3_767 . ?
O4 Li2 B3 89.02(17) . . ?
O6 Li2 B3 144.97(18) . 3_767 ?
O6 Li2 B3 35.03(18) 3_767 3_767 ?
O5 Li2 B3 145.15(18) . 3_767 ?
O5 Li2 B3 34.85(18) 3_767 3_767 ?
O4 Li2 B3 89.02(17) 3_767 3_767 ?
O4 Li2 B3 90.98(17) . 3_767 ?
B3 Li2 B3 180.0 . 3_767 ?
O6 Li2 B4 34.99(18) . 3_767 ?
O6 Li2 B4 145.01(18) 3_767 3_767 ?
O5 Li2 B4 92.14(17) . 3_767 ?
O5 Li2 B4 87.86(17) 3_767 3_767 ?
O4 Li2 B4 35.02(17) 3_767 3_767 ?
O4 Li2 B4 144.98(17) . 3_767 ?
B3 Li2 B4 61.3(2) . 3_767 ?
B3 Li2 B4 118.7(2) 3_767 3_767 ?
O6 Li2 B4 145.01(18) . . ?
O6 Li2 B4 34.99(18) 3_767 . ?
O5 Li2 B4 87.86(17) . . ?
O5 Li2 B4 92.14(17) 3_767 . ?
O4 Li2 B4 144.98(17) 3_767 . ?
O4 Li2 B4 35.02(17) . . ?
B3 Li2 B4 118.7(2) . . ?
B3 Li2 B4 61.3(2) 3_767 . ?
B4 Li2 B4 180.0 3_767 . ?
O6 Li2 B2 89.41(17) . . ?
O6 Li2 B2 90.59(17) 3_767 . ?
O5 Li2 B2 33.68(16) . . ?
O5 Li2 B2 146.32(16) 3_767 . ?
O4 Li2 B2 146.17(16) 3_767 . ?
O4 Li2 B2 33.83(16) . . ?
B3 Li2 B2 59.35(19) . . ?
B3 Li2 B2 120.64(19) 3_767 . ?
B4 Li2 B2 120.58(18) 3_767 . ?
B4 Li2 B2 59.42(18) . . ?
O6 Li2 B2 90.59(17) . 3_767 ?
O6 Li2 B2 89.41(17) 3_767 3_767 ?
O5 Li2 B2 146.32(16) . 3_767 ?
O5 Li2 B2 33.68(16) 3_767 3_767 ?
O4 Li2 B2 33.83(16) 3_767 3_767 ?
O4 Li2 B2 146.17(16) . 3_767 ?
B3 Li2 B2 120.65(19) . 3_767 ?
B3 Li2 B2 59.36(19) 3_767 3_767 ?
B4 Li2 B2 59.42(18) 3_767 3_767 ?
B4 Li2 B2 120.58(18) . 3_767 ?
B2 Li2 B2 180.0 . 3_767 ?
O18 Li1 O18 180.00(13) 3_656 . ?
O18 Li1 O19 110.19(14) 3_656 3_656 ?
O18 Li1 O19 69.81(14) . 3_656 ?
O18 Li1 O19 69.81(14) 3_656 . ?
O18 Li1 O19 110.19(14) . . ?
O19 Li1 O19 180.0 3_656 . ?
O18 Li1 O16 110.47(14) 3_656 . ?
O18 Li1 O16 69.53(14) . . ?
O19 Li1 O16 111.42(14) 3_656 . ?
O19 Li1 O16 68.58(14) . . ?
O18 Li1 O16 69.53(14) 3_656 3_656 ?
O18 Li1 O16 110.47(14) . 3_656 ?
O19 Li1 O16 68.58(14) 3_656 3_656 ?
O19 Li1 O16 111.42(14) . 3_656 ?
O16 Li1 O16 180.00(19) . 3_656 ?
O18 Li1 B11 34.75(17) 3_656 3_656 ?
O18 Li1 B11 145.25(17) . 3_656 ?
O19 Li1 B11 144.92(17) 3_656 3_656 ?
O19 Li1 B11 35.08(17) . 3_656 ?
O16 Li1 B11 89.06(17) . 3_656 ?
O16 Li1 B11 90.94(17) 3_656 3_656 ?
O18 Li1 B11 145.25(17) 3_656 . ?
O18 Li1 B11 34.75(17) . . ?
O19 Li1 B11 35.08(17) 3_656 . ?
O19 Li1 B11 144.92(17) . . ?
O16 Li1 B11 90.94(17) . . ?
O16 Li1 B11 89.06(17) 3_656 . ?
B11 Li1 B11 180.0 3_656 . ?
O18 Li1 B10 34.67(17) 3_656 3_656 ?
O18 Li1 B10 145.33(17) . 3_656 ?
O19 Li1 B10 89.80(17) 3_656 3_656 ?
O19 Li1 B10 90.20(17) . 3_656 ?
O16 Li1 B10 145.13(16) . 3_656 ?
O16 Li1 B10 34.87(16) 3_656 3_656 ?
B11 Li1 B10 60.26(19) 3_656 3_656 ?
B11 Li1 B10 119.74(19) . 3_656 ?
O18 Li1 B10 145.33(17) 3_656 . ?
O18 Li1 B10 34.67(17) . . ?
O19 Li1 B10 90.20(17) 3_656 . ?
O19 Li1 B10 89.80(17) . . ?
O16 Li1 B10 34.87(16) . . ?
O16 Li1 B10 145.13(16) 3_656 . ?
B11 Li1 B10 119.74(19) 3_656 . ?
B11 Li1 B10 60.26(19) . . ?
B10 Li1 B10 180.0 3_656 . ?
O18 Li1 B9 89.53(16) 3_656 3_656 ?
O18 Li1 B9 90.47(16) . 3_656 ?
O19 Li1 B9 34.18(16) 3_656 3_656 ?
O19 Li1 B9 145.82(16) . 3_656 ?
O16 Li1 B9 145.60(16) . 3_656 ?
O16 Li1 B9 34.40(16) 3_656 3_656 ?
B11 Li1 B9 120.16(19) 3_656 3_656 ?
B11 Li1 B9 59.84(19) . 3_656 ?
B10 Li1 B9 59.92(18) 3_656 3_656 ?
B10 Li1 B9 120.08(18) . 3_656 ?
O18 Li1 B9 90.47(16) 3_656 . ?
O18 Li1 B9 89.53(16) . . ?
O19 Li1 B9 145.82(16) 3_656 . ?
O19 Li1 B9 34.18(16) . . ?
O16 Li1 B9 34.40(16) . . ?
O16 Li1 B9 145.59(16) 3_656 . ?
B11 Li1 B9 59.84(19) 3_656 . ?
B11 Li1 B9 120.16(19) . . ?
B10 Li1 B9 120.08(18) 3_656 . ?
B10 Li1 B9 59.92(18) . . ?
B9 Li1 B9 180.0 3_656 . ?
O5 Cs1 O4 108.29(10) 2_746 3_767 ?
O5 Cs1 O9 98.94(10) 2_746 1_545 ?
O4 Cs1 O9 137.58(10) 3_767 1_545 ?
O5 Cs1 O3 131.58(11) 2_746 1_545 ?
O4 Cs1 O3 120.13(10) 3_767 1_545 ?
O9 Cs1 O3 44.13(10) 1_545 1_545 ?
O5 Cs1 O11 44.74(10) 2_746 1_545 ?
O4 Cs1 O11 116.85(10) 3_767 1_545 ?
O9 Cs1 O11 63.59(10) 1_545 1_545 ?
O3 Cs1 O11 107.32(10) 1_545 1_545 ?
O5 Cs1 O7 94.32(10) 2_746 2_746 ?
O4 Cs1 O7 44.25(9) 3_767 2_746 ?
O9 Cs1 O7 163.40(10) 1_545 2_746 ?
O3 Cs1 O7 119.27(10) 1_545 2_746 ?
O11 Cs1 O7 132.76(10) 1_545 2_746 ?
O5 Cs1 O25 62.62(12) 2_746 2_746 ?
O4 Cs1 O25 50.97(11) 3_767 2_746 ?
O9 Cs1 O25 123.92(12) 1_545 2_746 ?
O3 Cs1 O25 156.71(12) 1_545 2_746 ?
O11 Cs1 O25 68.71(12) 1_545 2_746 ?
O7 Cs1 O25 71.29(12) 2_746 2_746 ?
O5 Cs1 O3 119.16(10) 2_746 3_767 ?
O4 Cs1 O3 41.85(9) 3_767 3_767 ?
O9 Cs1 O3 96.46(10) 1_545 3_767 ?
O3 Cs1 O3 98.58(9) 1_545 3_767 ?
O11 Cs1 O3 95.28(9) 1_545 3_767 ?
O7 Cs1 O3 85.64(9) 2_746 3_767 ?
O25 Cs1 O3 60.04(11) 2_746 3_767 ?
O5 Cs1 O25 74.26(12) 2_746 1_545 ?
O4 Cs1 O25 159.41(11) 3_767 1_545 ?
O9 Cs1 O25 59.19(11) 1_545 1_545 ?
O3 Cs1 O25 60.40(11) 1_545 1_545 ?
O11 Cs1 O25 79.83(11) 1_545 1_545 ?
O7 Cs1 O25 115.83(11) 2_746 1_545 ?
O25 Cs1 O25 136.84(4) 2_746 1_545 ?
O3 Cs1 O25 154.90(11) 3_767 1_545 ?
O5 Cs1 B4 109.06(12) 2_746 3_767 ?
O4 Cs1 B4 22.77(11) 3_767 3_767 ?
O9 Cs1 B4 150.65(12) 1_545 3_767 ?
O3 Cs1 B4 115.16(12) 1_545 3_767 ?
O11 Cs1 B4 134.00(12) 1_545 3_767 ?
O7 Cs1 B4 23.64(11) 2_746 3_767 ?
O25 Cs1 B4 65.29(13) 2_746 3_767 ?
O3 Cs1 B4 62.48(11) 3_767 3_767 ?
O25 Cs1 B4 136.65(13) 1_545 3_767 ?
O5 Cs1 B3 21.52(12) 2_746 2_746 ?
O4 Cs1 B3 114.48(12) 3_767 2_746 ?
O9 Cs1 B3 81.55(12) 1_545 2_746 ?
O3 Cs1 B3 121.62(12) 1_545 2_746 ?
O11 Cs1 B3 23.22(11) 1_545 2_746 ?
O7 Cs1 B3 113.43(12) 2_746 2_746 ?
O25 Cs1 B3 63.67(13) 2_746 2_746 ?
O3 Cs1 B3 108.90(11) 3_767 2_746 ?
O25 Cs1 B3 75.67(13) 1_545 2_746 ?
B4 Cs1 B3 123.19(14) 3_767 2_746 ?
O5 Cs1 O9 39.28(9) 2_746 2_746 ?
O4 Cs1 O9 78.77(9) 3_767 2_746 ?
O9 Cs1 O9 137.36(5) 1_545 2_746 ?
O3 Cs1 O9 148.66(9) 1_545 2_746 ?
O11 Cs1 O9 81.27(9) 1_545 2_746 ?
O7 Cs1 O9 55.04(9) 2_746 2_746 ?
O25 Cs1 O9 54.62(11) 2_746 2_746 ?
O3 Cs1 O9 110.80(9) 3_767 2_746 ?
O25 Cs1 O9 92.91(10) 1_545 2_746 ?
B4 Cs1 O9 71.81(11) 3_767 2_746 ?
B3 Cs1 O9 59.23(11) 2_746 2_746 ?
O18 Cs2 O17 132.29(10) . 2_646 ?
O18 Cs2 O16 108.37(10) . 4_566 ?
O17 Cs2 O16 119.05(9) 2_646 4_566 ?
O18 Cs2 O23 61.67(11) . . ?
O17 Cs2 O23 156.74(12) 2_646 . ?
O16 Cs2 O23 49.32(11) 4_566 . ?
O18 Cs2 O12 97.81(10) . 2_646 ?
O17 Cs2 O12 43.13(9) 2_646 2_646 ?
O16 Cs2 O12 135.88(10) 4_566 2_646 ?
O23 Cs2 O12 126.61(12) . 2_646 ?
O18 Cs2 O15 96.10(10) . . ?
O17 Cs2 O15 121.52(10) 2_646 . ?
O16 Cs2 O15 43.35(9) 4_566 . ?
O23 Cs2 O15 66.49(12) . . ?
O12 Cs2 O15 164.57(10) 2_646 . ?
O18 Cs2 O14 43.63(9) . 2_646 ?
O17 Cs2 O14 107.25(10) 2_646 2_646 ?
O16 Cs2 O14 113.67(9) 4_566 2_646 ?
O23 Cs2 O14 69.21(12) . 2_646 ?
O12 Cs2 O14 64.19(9) 2_646 2_646 ?
O15 Cs2 O14 131.22(10) . 2_646 ?
O18 Cs2 O23 73.55(11) . 2_646 ?
O17 Cs2 O23 61.22(11) 2_646 2_646 ?
O16 Cs2 O23 168.25(11) 4_566 2_646 ?
O23 Cs2 O23 135.03(4) . 2_646 ?
O12 Cs2 O23 53.45(11) 2_646 2_646 ?
O15 Cs2 O23 125.40(11) . 2_646 ?
O14 Cs2 O23 76.00(11) 2_646 2_646 ?
O18 Cs2 O17 117.01(9) . 4_566 ?
O17 Cs2 O17 96.53(9) 2_646 4_566 ?
O16 Cs2 O17 41.23(9) 4_566 4_566 ?
O23 Cs2 O17 61.31(11) . 4_566 ?
O12 Cs2 O17 95.33(9) 2_646 4_566 ?
O15 Cs2 O17 84.22(9) . 4_566 ?
O14 Cs2 O17 92.00(9) 2_646 4_566 ?
O23 Cs2 O17 148.76(11) 2_646 4_566 ?
O18 Cs2 O24 76.93(14) . 2_646 ?
O17 Cs2 O24 85.62(15) 2_646 2_646 ?
O16 Cs2 O24 117.56(16) 4_566 2_646 ?
O23 Cs2 O24 117.42(16) . 2_646 ?
O12 Cs2 O24 102.36(16) 2_646 2_646 ?
O15 Cs2 O24 74.37(16) . 2_646 ?
O14 Cs2 O24 110.38(15) 2_646 2_646 ?
O23 Cs2 O24 51.04(17) 2_646 2_646 ?
O17 Cs2 O24 155.88(16) 4_566 2_646 ?
O18 Cs2 O12 40.00(9) . . ?
O17 Cs2 O12 153.16(9) 2_646 . ?
O16 Cs2 O12 78.68(9) 4_566 . ?
O23 Cs2 O12 50.10(11) . . ?
O12 Cs2 O12 137.27(5) 2_646 . ?
O15 Cs2 O12 56.11(9) . . ?
O14 Cs2 O12 80.08(9) 2_646 . ?
O23 Cs2 O12 97.19(11) 2_646 . ?
O17 Cs2 O12 109.19(9) 4_566 . ?
O24 Cs2 O12 67.78(14) 2_646 . ?
O18 Cs2 B9 110.71(12) . 4_566 ?
O17 Cs2 B9 114.98(11) 2_646 4_566 ?
O16 Cs2 B9 22.73(11) 4_566 4_566 ?
O23 Cs2 B9 62.69(13) . 4_566 ?
O12 Cs2 B9 149.15(11) 2_646 4_566 ?
O15 Cs2 B9 23.26(11) . 4_566 ?
O14 Cs2 B9 131.71(11) 2_646 4_566 ?
O23 Cs2 B9 145.53(13) 2_646 4_566 ?
O17 Cs2 B9 61.73(11) 4_566 4_566 ?
O24 Cs2 B9 95.53(17) 2_646 4_566 ?
O12 Cs2 B9 72.92(11) . 4_566 ?
O18 Cs2 H23A 46.6 . . ?
O17 Cs2 H23A 158.5 2_646 . ?
O16 Cs2 H23A 65.3 4_566 . ?
O23 Cs2 H23A 16.0 . . ?
O12 Cs2 H23A 117.7 2_646 . ?
O15 Cs2 H23A 76.9 . . ?
O14 Cs2 H23A 55.7 2_646 . ?
O23 Cs2 H23A 119.3 2_646 . ?
O17 Cs2 H23A 73.1 4_566 . ?
O24 Cs2 H23A 111.7 2_646 . ?
O12 Cs2 H23A 44.9 . . ?
B9 Cs2 H23A 77.2 4_566 . ?
O11 Cs3 O15 145.12(10) 2_746 2_656 ?
O11 Cs3 O21 88.60(10) 2_746 . ?
O15 Cs3 O21 107.83(11) 2_656 . ?
O11 Cs3 O22 167.12(10) 2_746 3_666 ?
O15 Cs3 O22 44.51(9) 2_656 3_666 ?
O21 Cs3 O22 95.14(10) . 3_666 ?
O11 Cs3 O2 45.75(10) 2_746 . ?
O15 Cs3 O2 100.17(10) 2_656 . ?
O21 Cs3 O2 119.23(11) . . ?
O22 Cs3 O2 139.03(10) 3_666 . ?
O11 Cs3 O24 77.51(17) 2_746 . ?
O15 Cs3 O24 79.61(16) 2_656 . ?
O21 Cs3 O24 70.05(17) . . ?
O22 Cs3 O24 115.35(17) 3_666 . ?
O2 Cs3 O24 63.50(18) . . ?
O11 Cs3 O1 101.36(11) 2_746 4_575 ?
O15 Cs3 O1 110.35(10) 2_656 4_575 ?
O21 Cs3 O1 85.07(11) . 4_575 ?
O22 Cs3 O1 66.80(10) 3_666 4_575 ?
O2 Cs3 O1 132.74(10) . 4_575 ?
O24 Cs3 O1 155.09(17) . 4_575 ?
O11 Cs3 O10 41.62(9) 2_746 2_746 ?
O15 Cs3 O10 153.77(9) 2_656 2_746 ?
O21 Cs3 O10 49.56(10) . 2_746 ?
O22 Cs3 O10 136.54(9) 3_666 2_746 ?
O2 Cs3 O10 84.43(9) . 2_746 ?
O24 Cs3 O10 79.50(15) . 2_746 ?
O1 Cs3 O10 83.47(10) 4_575 2_746 ?
O11 Cs3 B6 20.87(12) 2_746 2_746 ?
O15 Cs3 B6 149.54(12) 2_656 2_746 ?
O21 Cs3 B6 67.74(12) . 2_746 ?
O22 Cs3 B6 159.57(12) 3_666 2_746 ?
O2 Cs3 B6 61.40(12) . 2_746 ?
O24 Cs3 B6 70.51(17) . 2_746 ?
O1 Cs3 B6 99.47(12) 4_575 2_746 ?
O10 Cs3 B6 23.03(11) 2_746 2_746 ?
O11 Cs3 O25 68.49(11) 2_746 . ?
O15 Cs3 O25 105.45(11) 2_656 . ?
O21 Cs3 O25 145.55(12) . . ?
O22 Cs3 O25 102.40(11) 3_666 . ?
O2 Cs3 O25 62.09(11) . . ?
O24 Cs3 O25 125.39(19) . . ?
O1 Cs3 O25 75.24(11) 4_575 . ?
O10 Cs3 O25 99.53(10) 2_746 . ?
B6 Cs3 O25 87.68(13) 2_746 . ?
O11 Cs3 B3 22.12(12) 2_746 . ?
O15 Cs3 B3 123.73(12) 2_656 . ?
O21 Cs3 B3 104.96(12) . . ?
O22 Cs3 B3 159.73(12) 3_666 . ?
O2 Cs3 B3 23.69(11) . . ?
O24 Cs3 B3 70.37(19) . . ?
O1 Cs3 B3 116.93(12) 4_575 . ?
O10 Cs3 B3 62.41(11) 2_746 . ?
B6 Cs3 B3 39.74(13) 2_746 . ?
O25 Cs3 B3 61.94(13) . . ?
O11 Cs3 B9 165.26(11) 2_746 3_666 ?
O15 Cs3 B9 21.91(11) 2_656 3_666 ?
O21 Cs3 B9 103.03(12) . 3_666 ?
O22 Cs3 B9 22.62(11) 3_666 3_666 ?
O2 Cs3 B9 119.62(11) . 3_666 ?
O24 Cs3 B9 97.76(17) . 3_666 ?
O1 Cs3 B9 88.79(12) 4_575 3_666 ?
O10 Cs3 B9 151.96(11) 2_746 3_666 ?
B6 Cs3 B9 166.79(13) 2_746 3_666 ?
O25 Cs3 B9 104.48(12) . 3_666 ?
B3 Cs3 B9 143.16(13) . 3_666 ?
O11 Cs3 H21 73.6 2_746 . ?
O15 Cs3 H21 121.9 2_656 . ?
O21 Cs3 H21 15.2 . . ?
O22 Cs3 H21 109.1 3_666 . ?
O2 Cs3 H21 108.2 . . ?
O24 Cs3 H21 70.2 . . ?
O1 Cs3 H21 85.5 4_575 . ?
O10 Cs3 H21 34.4 2_746 . ?
B6 Cs3 H21 52.9 2_746 . ?
O25 Cs3 H21 132.5 . . ?
B3 Cs3 H21 91.2 . . ?
B9 Cs3 H21 118.2 3_666 . ?
Cs4A Cs4 O6 102.5(13) . 4_575 ?
Cs4A Cs4 O19 110.9(13) . 3_666 ?
O6 Cs4 O19 136.20(11) 4_575 3_666 ?
Cs4A Cs4 O8 75.1(13) . 2_756 ?
O6 Cs4 O8 46.98(10) 4_575 2_756 ?
O19 Cs4 O8 116.03(10) 3_666 2_756 ?
Cs4A Cs4 O20 74.7(13) . 1_565 ?
O6 Cs4 O20 124.89(11) 4_575 1_565 ?
O19 Cs4 O20 45.44(10) 3_666 1_565 ?
O8 Cs4 O20 81.06(10) 2_756 1_565 ?
Cs4A Cs4 O25 73.1(13) . . ?
O6 Cs4 O25 74.54(12) 4_575 . ?
O19 Cs4 O25 141.56(13) 3_666 . ?
O8 Cs4 O25 102.09(13) 2_756 . ?
O20 Cs4 O25 145.55(13) 1_565 . ?
Cs4A Cs4 O2 141.1(13) . 4_575 ?
O6 Cs4 O2 45.71(10) 4_575 4_575 ?
O19 Cs4 O2 108.03(10) 3_666 4_575 ?
O8 Cs4 O2 88.87(10) 2_756 4_575 ?
O20 Cs4 O2 138.34(10) 1_565 4_575 ?
O25 Cs4 O2 76.07(12) . 4_575 ?
Cs4A Cs4 O24 147.2(13) . 4_575 ?
O6 Cs4 O24 82.10(16) 4_575 4_575 ?
O19 Cs4 O24 54.54(16) 3_666 4_575 ?
O8 Cs4 O24 85.76(15) 2_756 4_575 ?
O20 Cs4 O24 76.25(17) 1_565 4_575 ?
O25 Cs4 O24 137.93(19) . 4_575 ?
O2 Cs4 O24 62.69(17) 4_575 4_575 ?
Cs4A Cs4 O22 137.3(13) . 3_666 ?
O6 Cs4 O22 119.09(10) 4_575 3_666 ?
O19 Cs4 O22 42.62(9) 3_666 3_666 ?
O8 Cs4 O22 141.14(10) 2_756 3_666 ?
O20 Cs4 O22 88.04(10) 1_565 3_666 ?
O25 Cs4 O22 107.62(13) . 3_666 ?
O2 Cs4 O22 74.91(9) 4_575 3_666 ?
O24 Cs4 O22 55.39(15) 4_575 3_666 ?
Cs4A Cs4 B11 87.1(13) . 1_565 ?
O6 Cs4 B11 144.44(13) 4_575 1_565 ?
O19 Cs4 B11 24.43(12) 3_666 1_565 ?
O8 Cs4 B11 105.49(12) 2_756 1_565 ?
O20 Cs4 B11 25.19(12) 1_565 1_565 ?
O25 Cs4 B11 140.41(14) . 1_565 ?
O2 Cs4 B11 131.68(12) 4_575 1_565 ?
O24 Cs4 B11 72.49(18) 4_575 1_565 ?
O22 Cs4 B11 65.05(12) 3_666 1_565 ?
Cs4A Cs4 B4 90.7(13) . 2_756 ?
O6 Cs4 B4 22.49(13) 4_575 2_756 ?
O19 Cs4 B4 128.20(12) 3_666 2_756 ?
O8 Cs4 B4 24.61(12) 2_756 2_756 ?
O20 Cs4 B4 103.52(13) 1_565 2_756 ?
O25 Cs4 B4 88.95(14) . 2_756 ?
O2 Cs4 B4 65.33(12) 4_575 2_756 ?
O24 Cs4 B4 81.59(17) 4_575 2_756 ?
O22 Cs4 B4 131.59(12) 3_666 2_756 ?
B11 Cs4 B4 126.06(14) 1_565 2_756 ?
Cs4A Cs4 B9 117.0(13) . 3_666 ?
O6 Cs4 B9 140.31(12) 4_575 3_666 ?
O19 Cs4 B9 23.36(12) 3_666 3_666 ?
O8 Cs4 B9 138.59(12) 2_756 3_666 ?
O20 Cs4 B9 66.37(12) 1_565 3_666 ?
O25 Cs4 B9 119.27(15) . 3_666 ?
O2 Cs4 B9 98.61(12) 4_575 3_666 ?
O24 Cs4 B9 62.83(17) 4_575 3_666 ?
O22 Cs4 B9 24.26(11) 3_666 3_666 ?
B11 Cs4 B9 41.91(14) 1_565 3_666 ?
B4 Cs4 B9 144.26(13) 2_756 3_666 ?
O14 Cs5 O7 133.69(10) 2_646 2_746 ?
O14 Cs5 O21 102.28(11) 2_646 4_566 ?
O7 Cs5 O21 115.34(10) 2_746 4_566 ?
O14 Cs5 O8 157.17(10) 2_646 3_767 ?
O7 Cs5 O8 44.44(9) 2_746 3_767 ?
O21 Cs5 O8 71.16(10) 4_566 3_767 ?
O14 Cs5 O20 44.75(10) 2_646 . ?
O7 Cs5 O20 100.73(9) 2_746 . ?
O21 Cs5 O20 143.74(10) 4_566 . ?
O8 Cs5 O20 145.08(10) 3_767 . ?
O14 Cs5 O23 72.22(12) 2_646 . ?
O7 Cs5 O23 130.60(12) 2_746 . ?
O21 Cs5 O23 89.87(11) 4_566 . ?
O8 Cs5 O23 128.31(12) 3_767 . ?
O20 Cs5 O23 68.02(11) . . ?
O14 Cs5 O24 119.57(18) 2_646 . ?
O7 Cs5 O24 81.00(18) 2_746 . ?
O21 Cs5 O24 99.47(15) 4_566 . ?
O8 Cs5 O24 83.26(18) 3_767 . ?
O20 Cs5 O24 89.35(16) . . ?
O23 Cs5 O24 52.14(19) . . ?
O14 Cs5 B12 103.54(12) 2_646 4_566 ?
O7 Cs5 B12 121.74(12) 2_746 4_566 ?
O21 Cs5 B12 23.01(12) 4_566 4_566 ?
O8 Cs5 B12 79.10(12) 3_767 4_566 ?
O20 Cs5 B12 132.87(12) . 4_566 ?
O23 Cs5 B12 68.94(13) . 4_566 ?
O24 Cs5 B12 79.01(16) . 4_566 ?
O14 Cs5 B6 125.41(12) 2_646 2_746 ?
O7 Cs5 B6 20.61(11) 2_746 2_746 ?
O21 Cs5 B6 131.20(12) 4_566 2_746 ?
O8 Cs5 B6 60.88(11) 3_767 2_746 ?
O20 Cs5 B6 84.72(11) . 2_746 ?
O23 Cs5 B6 112.26(13) . 2_746 ?
O24 Cs5 B6 67.72(18) . 2_746 ?
B12 Cs5 B6 129.61(14) 4_566 2_746 ?
O14 Cs5 B11 22.55(11) 2_646 . ?
O7 Cs5 B11 121.27(11) 2_746 . ?
O21 Cs5 B11 121.60(12) 4_566 . ?
O8 Cs5 B11 164.33(12) 3_767 . ?
O20 Cs5 B11 22.99(11) . . ?
O23 Cs5 B11 64.16(13) . . ?
O24 Cs5 B11 102.10(18) . . ?
B12 Cs5 B11 116.25(14) 4_566 . ?
B6 Cs5 B11 107.20(13) 2_746 . ?
O14 Cs5 B4 153.41(12) 2_646 3_767 ?
O7 Cs5 B4 22.33(11) 2_746 3_767 ?
O21 Cs5 B4 93.89(12) 4_566 3_767 ?
O8 Cs5 B4 22.77(11) 3_767 3_767 ?
O20 Cs5 B4 122.38(11) . 3_767 ?
O23 Cs5 B4 129.38(14) . 3_767 ?
O24 Cs5 B4 77.53(19) . 3_767 ?
B12 Cs5 B4 99.59(14) 4_566 3_767 ?
B6 Cs5 B4 38.25(13) 2_746 3_767 ?
B11 Cs5 B4 143.58(13) . 3_767 ?
O14 Cs5 B12 60.55(11) 2_646 . ?
O7 Cs5 B12 96.44(11) 2_746 . ?
O21 Cs5 B12 144.67(11) 4_566 . ?
O8 Cs5 B12 136.25(11) 3_767 . ?
O20 Cs5 B12 19.99(11) . . ?
O23 Cs5 B12 56.37(12) . . ?
O24 Cs5 B12 69.37(17) . . ?
B12 Cs5 B12 125.30(15) 4_566 . ?
B6 Cs5 B12 77.07(13) 2_746 . ?
B11 Cs5 B12 38.09(13) . . ?
B4 Cs5 B12 114.84(13) 3_767 . ?
O14 Cs5 H23B 85.2 2_646 . ?
O7 Cs5 H23B 122.9 2_746 . ?
O21 Cs5 H23B 84.4 4_566 . ?
O8 Cs5 H23B 115.1 3_767 . ?
O20 Cs5 H23B 78.9 . . ?
O23 Cs5 H23B 13.2 . . ?
O24 Cs5 H23B 42.1 . . ?
B12 Cs5 H23B 61.9 4_566 . ?
B6 Cs5 H23B 107.2 2_746 . ?
B11 Cs5 H23B 77.2 . . ?
B4 Cs5 H23B 117.6 3_767 . ?
B12 Cs5 H23B 64.7 . . ?
O14 Cs5 H24A 109.7 2_646 . ?
O7 Cs5 H24A 87.1 2_746 . ?
O21 Cs5 H24A 104.0 4_566 . ?
O8 Cs5 H24A 93.1 3_767 . ?
O20 Cs5 H24A 80.5 . . ?
O23 Cs5 H24A 44.3 . . ?
O24 Cs5 H24A 9.9 . . ?
B12 Cs5 H24A 82.1 4_566 . ?
B6 Cs5 H24A 71.6 2_746 . ?
B11 Cs5 H24A 92.2 . . ?
B4 Cs5 H24A 86.2 3_767 . ?
B12 Cs5 H24A 60.6 . . ?
H23B Cs5 H24A 36.0 . . ?
Cs4 Cs4A O6 67.3(12) . 4_575 ?
Cs4 Cs4A O8 94.9(13) . 2_756 ?
O6 Cs4A O8 46.7(2) 4_575 2_756 ?
Cs4 Cs4A O20 95.3(13) . 1_565 ?
O6 Cs4A O20 122.6(4) 4_575 1_565 ?
O8 Cs4A O20 84.2(3) 2_756 1_565 ?
Cs4 Cs4A O25 97.2(13) . . ?
O6 Cs4A O25 74.1(3) 4_575 . ?
O8 Cs4A O25 107.0(4) 2_756 . ?
O20 Cs4A O25 162.3(4) 1_565 . ?
Cs4 Cs4A O19 60.4(12) . 3_666 ?
O6 Cs4A O19 120.8(3) 4_575 3_666 ?
O8 Cs4A O19 112.0(3) 2_756 3_666 ?
O20 Cs4A O19 44.10(18) 1_565 3_666 ?
O25 Cs4A O19 135.8(4) . 3_666 ?
Cs4 Cs4A B11 84.0(13) . 1_565 ?
O6 Cs4A B11 135.7(3) 4_575 1_565 ?
O8 Cs4A B11 107.2(3) 2_756 1_565 ?
O20 Cs4A B11 24.92(15) 1_565 1_565 ?
O25 Cs4A B11 145.5(4) . 1_565 ?
O19 Cs4A B11 24.29(14) 3_666 1_565 ?
Cs4 Cs4A B5 116.9(14) . 2_756 ?
O6 Cs4A B5 61.6(2) 4_575 2_756 ?
O8 Cs4A B5 22.04(14) 2_756 2_756 ?
O20 Cs4A B5 83.4(3) 1_565 2_756 ?
O25 Cs4A B5 101.8(3) . 2_756 ?
O19 Cs4A B5 122.1(3) 3_666 2_756 ?
B11 Cs4A B5 108.4(3) 1_565 2_756 ?
Cs4 Cs4A O14 99.4(14) . 2_656 ?
O6 Cs4A O14 160.1(3) 4_575 2_656 ?
O8 Cs4A O14 124.3(4) 2_756 2_656 ?
O20 Cs4A O14 41.24(17) 1_565 2_656 ?
O25 Cs4A O14 123.8(4) . 2_656 ?
O19 Cs4A O14 41.15(16) 3_666 2_656 ?
B11 Cs4A O14 24.52(13) 1_565 2_656 ?
B5 Cs4A O14 116.9(3) 2_756 2_656 ?
Cs4 Cs4A B4 80.7(13) . 2_756 ?
O6 Cs4A B4 22.83(15) 4_575 2_756 ?
O8 Cs4A B4 23.85(15) 2_756 2_756 ?
O20 Cs4A B4 104.5(3) 1_565 2_756 ?
O25 Cs4A B4 89.9(3) . 2_756 ?
O19 Cs4A B4 119.5(3) 3_666 2_756 ?
B11 Cs4A B4 124.1(3) 1_565 2_756 ?
B5 Cs4A B4 40.45(19) 2_756 2_756 ?
O14 Cs4A B4 145.7(4) 2_656 2_756 ?
Cs4 Cs4A B8 92.6(13) . 2_656 ?
O6 Cs4A B8 159.4(3) 4_575 2_656 ?
O8 Cs4A B8 145.4(4) 2_756 2_656 ?
O20 Cs4A B8 61.5(2) 1_565 2_656 ?
O25 Cs4A B8 105.4(3) . 2_656 ?
O19 Cs4A B8 45.51(18) 3_666 2_656 ?
B11 Cs4A B8 40.22(18) 1_565 2_656 ?
B5 Cs4A B8 136.5(3) 2_756 2_656 ?
O14 Cs4A B8 21.21(13) 2_656 2_656 ?
B4 Cs4A B8 164.0(4) 2_756 2_656 ?
Cs4 Cs4A O2 33.7(12) . 4_575 ?
O6 Cs4A O2 40.30(14) 4_575 4_575 ?
O8 Cs4A O2 82.6(2) 2_756 4_575 ?
O20 Cs4A O2 124.8(3) 1_565 4_575 ?
O25 Cs4A O2 71.2(2) . 4_575 ?
O19 Cs4A O2 94.01(19) 3_666 4_575 ?
B11 Cs4A O2 117.6(2) 1_565 4_575 ?
B5 Cs4A O2 101.1(3) 2_756 4_575 ?
O14 Cs4A O2 131.7(3) 2_656 4_575 ?
B4 Cs4A O2 60.69(19) 2_756 4_575 ?
B8 Cs4A O2 119.4(3) 2_656 4_575 ?

_refine_diff_density_max         2.415
_refine_diff_density_min         -2.215
_refine_diff_density_rms         0.154

