# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_2222
_database_code_depnum_ccdc_archive 'CCDC 2074324'
loop_
_audit_author_name
_audit_author_address
'Shilie Pan'
;University of Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-04-06 deposited with the CCDC.	2021-06-14 downloaded from the CCDC.
;
_audit_creation_date             2021-04-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'B10 Ba1.719 O19 Pb2.281'
_chemical_formula_sum            'B10 Ba1.72 O19 Pb2.28'
_chemical_formula_weight         1120.72
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   11.9124(8)
_cell_length_b                   6.6160(5)
_cell_length_c                   18.2375(10)
_cell_angle_alpha                90
_cell_angle_beta                 99.406(3)
_cell_angle_gamma                90
_cell_volume                     1418.02(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1853
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      3.62
_shelx_estimated_absorpt_T_max   0.316
_shelx_estimated_absorpt_T_min   0.137
_exptl_absorpt_coefficient_mu    31.823
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0923 before and 0.0678 after correction.
The Ratio of minimum to maximum transmission is 0.7727.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.250
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1941
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 1.00 0.00 0.0490
-1.00 1.00 -1.00 0.0500
1.00 1.00 -1.00 0.0450
0.00 1.00 1.00 0.0340
0.00 1.00 -1.00 0.0470
1.00 1.00 1.00 0.0270

_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.047
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.0647
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6639
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.506
_diffrn_reflns_theta_min         2.264
_diffrn_ambient_temperature      297.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.39
_diffrn_source_power             0.0695
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1323
_reflns_number_total             1619
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.799
_refine_diff_density_min         -1.654
_refine_diff_density_rms         0.395
_refine_ls_extinction_coef       0.00026(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         1619
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0330
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0110P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0594
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Ba1A, Pb1A}
2. Uiso/Uaniso restraints and constraints
Uanis(B2) \\sim Ueq, Uanis(B3) \\sim Ueq, Uanis(B4) \\sim Ueq, Uanis(O2) \\sim
Ueq, Uanis(O4) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(O10)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O5) \\sim Ueq, Uanis(B5) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O3) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Ba1A) = Uanis(Pb1A)
3. Others
 Sof(Pb1A)=1-FVAR(1)
 Sof(Ba1A)=FVAR(1)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.58810(3) 1.28250(6) 0.48879(2) 0.01045(14) Uani 1 1 d . . . . .
Ba1A Ba 0.30063(5) -0.11069(9) 0.69188(3) 0.0105(2) Uani 0.860(6) 1 d . . P . .
Pb1A Pb 0.30063(5) -0.11069(9) 0.69188(3) 0.0105(2) Uani 0.140(6) 1 d . . P . .
B1 B 0.3406(10) 0.3365(18) 0.6268(6) 0.009(2) Uani 1 1 d . . . . .
B2 B 0.6286(9) 0.8892(18) 0.6262(6) 0.008(2) Uani 1 1 d . U . . .
B3 B 0.7052(9) 0.8971(17) 0.4989(5) 0.006(2) Uani 1 1 d . U . . .
B4 B 0.5397(9) 0.2277(18) 0.6666(6) 0.007(2) Uani 1 1 d . U . . .
B5 B 0.4970(9) 0.5987(17) 0.6761(6) 0.006(2) Uani 1 1 d . U . . .
O1 O 0.3825(5) 0.5447(10) 0.6386(3) 0.0056(14) Uani 1 1 d . . . . .
O2 O 0.500000 0.6839(14) 0.750000 0.0037(18) Uani 1 2 d S TU P . .
O3 O 0.2374(5) 0.2921(10) 0.6571(3) 0.0049(13) Uani 1 1 d . U . . .
O4 O 0.8159(5) 0.8102(10) 0.5423(3) 0.0037(13) Uani 1 1 d . U . . .
O5 O 0.6233(5) 0.9417(10) 0.5475(3) 0.0065(14) Uani 1 1 d . U . . .
O6 O 0.5768(5) 0.4247(10) 0.6774(3) 0.0077(14) Uani 1 1 d . U . . .
O7 O 0.6248(5) 0.0858(11) 0.6683(3) 0.0100(15) Uani 1 1 d . . . . .
O8 O 0.4274(6) 0.1857(11) 0.6548(3) 0.0096(15) Uani 1 1 d . U . . .
O9 O 0.7189(5) 1.0681(11) 0.4546(3) 0.0079(15) Uani 1 1 d . . . . .
O10 O 0.5310(5) 0.7621(10) 0.6296(3) 0.0077(14) Uani 1 1 d . 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
Pb1 Pb1 3.6243(8) 5_686 ?
Pb1 Ba1A 3.9157(7) 5_666 ?
Pb1 Ba1A 4.1907(7) 3_565 ?
Pb1 B3 2.898(11) . ?
Pb1 O1 2.664(6) 5_676 ?
Pb1 O5 2.502(7) . ?
Pb1 O9 2.560(6) 7_676 ?
Pb1 O9 2.268(7) . ?
Pb1 O10 2.400(6) 5_676 ?
Ba1A B4 3.248(11) 3_445 ?
Ba1A B5 3.077(11) 1_545 ?
Ba1A O1 2.721(7) 1_545 ?
Ba1A O2 2.791(5) 1_545 ?
Ba1A O3 2.813(7) . ?
Ba1A O3 2.936(6) 4_546 ?
Ba1A O6 2.647(7) 3_445 ?
Ba1A O7 2.871(6) 2_656 ?
Ba1A O7 2.882(7) 3_445 ?
Ba1A O8 2.630(7) . ?
Ba1A O9 2.658(6) 5_666 ?
Ba1A O10 3.247(7) 1_545 ?
B1 O1 1.469(13) . ?
B1 O3 1.457(13) . ?
B1 O4 1.531(12) 3_445 ?
B1 O8 1.468(13) . ?
B2 O3 1.474(12) 3 ?
B2 O5 1.469(12) . ?
B2 O7 1.514(13) 1_565 ?
B2 O10 1.445(13) . ?
B3 O4 1.534(12) . ?
B3 O4 1.564(12) 7_666 ?
B3 O5 1.452(12) . ?
B3 O9 1.415(13) . ?
B4 O6 1.380(13) . ?
B4 O7 1.379(13) . ?
B4 O8 1.348(13) . ?
B5 O1 1.466(12) . ?
B5 O2 1.456(11) . ?
B5 O6 1.491(13) . ?
B5 O10 1.471(13) . ?

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
Pb1 Pb1 Ba1A 127.396(18) 5_686 5_666 ?
Pb1 Pb1 Ba1A 92.509(15) 5_686 3_565 ?
Ba1A Pb1 Ba1A 123.637(13) 5_666 3_565 ?
B3 Pb1 Pb1 166.7(2) . 5_686 ?
B3 Pb1 Ba1A 82.9(2) . 3_565 ?
B3 Pb1 Ba1A 64.7(2) . 5_666 ?
O1 Pb1 Pb1 85.34(14) 5_676 5_686 ?
O1 Pb1 Ba1A 123.50(14) 5_676 3_565 ?
O1 Pb1 Ba1A 43.92(14) 5_676 5_666 ?
O1 Pb1 B3 107.6(2) 5_676 . ?
O5 Pb1 Pb1 136.63(15) . 5_686 ?
O5 Pb1 Ba1A 74.87(14) . 3_565 ?
O5 Pb1 Ba1A 92.43(14) . 5_666 ?
O5 Pb1 B3 30.1(2) . . ?
O5 Pb1 O1 136.3(2) . 5_676 ?
O5 Pb1 O9 95.7(2) . 7_676 ?
O9 Pb1 Pb1 164.57(17) . 5_686 ?
O9 Pb1 Pb1 98.43(16) 7_676 5_686 ?
O9 Pb1 Ba1A 90.32(15) . 3_565 ?
O9 Pb1 Ba1A 40.97(14) . 5_666 ?
O9 Pb1 Ba1A 37.38(13) 7_676 3_565 ?
O9 Pb1 Ba1A 92.64(14) 7_676 5_666 ?
O9 Pb1 B3 28.6(3) . . ?
O9 Pb1 B3 85.6(3) 7_676 . ?
O9 Pb1 O1 80.5(2) . 5_676 ?
O9 Pb1 O1 87.05(19) 7_676 5_676 ?
O9 Pb1 O5 58.6(2) . . ?
O9 Pb1 O9 74.9(3) . 7_676 ?
O9 Pb1 O10 90.4(2) . 5_676 ?
O10 Pb1 Pb1 86.05(16) 5_676 5_686 ?
O10 Pb1 Ba1A 177.08(17) 5_676 3_565 ?
O10 Pb1 Ba1A 55.86(16) 5_676 5_666 ?
O10 Pb1 B3 99.0(3) 5_676 . ?
O10 Pb1 O1 53.9(2) 5_676 5_676 ?
O10 Pb1 O5 107.9(2) 5_676 . ?
O10 Pb1 O9 140.4(2) 5_676 7_676 ?
B5 Ba1A B4 120.4(3) 1_545 3_445 ?
B5 Ba1A O10 26.7(2) 1_545 1_545 ?
O1 Ba1A B4 93.7(2) 1_545 3_445 ?
O1 Ba1A B5 28.5(2) 1_545 1_545 ?
O1 Ba1A O2 52.78(18) 1_545 1_545 ?
O1 Ba1A O3 105.71(19) 1_545 4_546 ?
O1 Ba1A O3 144.23(18) 1_545 . ?
O1 Ba1A O7 128.31(19) 1_545 2_656 ?
O1 Ba1A O7 69.94(19) 1_545 3_445 ?
O1 Ba1A O10 44.38(18) 1_545 1_545 ?
O2 Ba1A B4 129.0(3) 1_545 3_445 ?
O2 Ba1A B5 28.2(2) 1_545 1_545 ?
O2 Ba1A O3 77.83(13) 1_545 4_546 ?
O2 Ba1A O3 136.6(2) 1_545 . ?
O2 Ba1A O7 76.28(18) 1_545 2_656 ?
O2 Ba1A O7 105.7(2) 1_545 3_445 ?
O2 Ba1A O10 44.88(11) 1_545 1_545 ?
O3 Ba1A B4 93.7(2) . 3_445 ?
O3 Ba1A B4 76.7(2) 4_546 3_445 ?
O3 Ba1A B5 138.6(2) . 1_545 ?
O3 Ba1A B5 100.8(2) 4_546 1_545 ?
O3 Ba1A O3 110.05(17) . 4_546 ?
O3 Ba1A O7 117.71(18) . 3_445 ?
O3 Ba1A O7 78.70(18) . 2_656 ?
O3 Ba1A O10 122.71(16) 4_546 1_545 ?
O3 Ba1A O10 112.14(18) . 1_545 ?
O6 Ba1A B4 24.4(2) 3_445 3_445 ?
O6 Ba1A B5 144.6(3) 3_445 1_545 ?
O6 Ba1A O1 116.9(2) 3_445 1_545 ?
O6 Ba1A O2 149.54(19) 3_445 1_545 ?
O6 Ba1A O3 70.5(2) 3_445 . ?
O6 Ba1A O3 78.79(18) 3_445 4_546 ?
O6 Ba1A O7 102.06(19) 3_445 2_656 ?
O6 Ba1A O7 49.5(2) 3_445 3_445 ?
O6 Ba1A O9 88.23(19) 3_445 5_666 ?
O6 Ba1A O10 152.01(17) 3_445 1_545 ?
O7 Ba1A B4 25.1(2) 3_445 3_445 ?
O7 Ba1A B4 115.1(2) 2_656 3_445 ?
O7 Ba1A B5 103.7(2) 2_656 1_545 ?
O7 Ba1A B5 95.5(2) 3_445 1_545 ?
O7 Ba1A O3 48.58(18) 2_656 4_546 ?
O7 Ba1A O3 76.55(18) 3_445 4_546 ?
O7 Ba1A O7 124.03(11) 2_656 3_445 ?
O7 Ba1A O10 113.70(18) 3_445 1_545 ?
O7 Ba1A O10 105.77(17) 2_656 1_545 ?
O8 Ba1A B4 141.8(2) . 3_445 ?
O8 Ba1A B5 88.0(3) . 1_545 ?
O8 Ba1A O1 106.2(2) . 1_545 ?
O8 Ba1A O2 88.4(2) . 1_545 ?
O8 Ba1A O3 51.65(19) . . ?
O8 Ba1A O3 126.01(19) . 4_546 ?
O8 Ba1A O6 121.3(2) . 3_445 ?
O8 Ba1A O7 77.49(19) . 2_656 ?
O8 Ba1A O7 156.18(18) . 3_445 ?
O8 Ba1A O9 67.8(2) . 5_666 ?
O8 Ba1A O10 63.2(2) . 1_545 ?
O9 Ba1A B4 88.2(2) 5_666 3_445 ?
O9 Ba1A B5 85.1(2) 5_666 1_545 ?
O9 Ba1A O1 73.0(2) 5_666 1_545 ?
O9 Ba1A O2 111.25(14) 5_666 1_545 ?
O9 Ba1A O3 72.3(2) 5_666 . ?
O9 Ba1A O3 164.75(19) 5_666 4_546 ?
O9 Ba1A O7 89.0(2) 5_666 3_445 ?
O9 Ba1A O7 143.9(2) 5_666 2_656 ?
O9 Ba1A O10 67.42(18) 5_666 1_545 ?
O10 Ba1A B4 135.1(2) 1_545 3_445 ?
O1 B1 Ba1A 150.0(6) . . ?
O1 B1 O4 105.0(8) . 3_445 ?
O3 B1 Ba1A 59.7(5) . . ?
O3 B1 O1 114.9(8) . . ?
O3 B1 O4 108.9(8) . 3_445 ?
O3 B1 O8 108.7(8) . . ?
O4 B1 Ba1A 104.4(6) 3_445 . ?
O8 B1 Ba1A 52.5(5) . . ?
O8 B1 O1 112.5(8) . . ?
O8 B1 O4 106.4(8) . 3_445 ?
O3 B2 Ba1A 63.3(4) 3 2_666 ?
O3 B2 O7 106.2(7) 3 1_565 ?
O5 B2 Ba1A 161.8(7) . 2_666 ?
O5 B2 O3 111.7(8) . 3 ?
O5 B2 O7 107.0(8) . 1_565 ?
O7 B2 Ba1A 60.8(4) 1_565 2_666 ?
O10 B2 Ba1A 91.9(5) . 2_666 ?
O10 B2 O3 113.2(9) . 3 ?
O10 B2 O5 105.8(7) . . ?
O10 B2 O7 112.8(8) . 1_565 ?
O4 B3 Pb1 136.6(7) . . ?
O4 B3 Pb1 134.7(6) 7_666 . ?
O4 B3 O4 88.6(7) . 7_666 ?
O5 B3 Pb1 59.7(5) . . ?
O5 B3 O4 111.6(7) . . ?
O5 B3 O4 113.6(8) . 7_666 ?
O9 B3 Pb1 50.1(5) . . ?
O9 B3 O4 116.9(7) . 7_666 ?
O9 B3 O4 115.1(8) . . ?
O9 B3 O5 109.7(8) . . ?
O6 B4 Ba1A 52.5(5) . 3 ?
O7 B4 Ba1A 62.4(5) . 3 ?
O7 B4 O6 115.0(9) . . ?
O8 B4 Ba1A 172.7(8) . 3 ?
O8 B4 O6 120.3(9) . . ?
O8 B4 O7 124.7(10) . . ?
O1 B5 Ba1A 62.1(5) . 1_565 ?
O1 B5 O6 111.2(8) . . ?
O2 B5 Ba1A 64.9(4) . 1_565 ?
O2 B5 O1 114.0(8) . . ?
O2 B5 O6 111.4(7) . . ?
O2 B5 O10 106.4(8) . . ?
O6 B5 Ba1A 166.8(7) . 1_565 ?
O10 B5 Ba1A 83.1(5) . 1_565 ?
O10 B5 O1 103.5(7) . . ?
O10 B5 O6 110.0(8) . . ?
Pb1 O1 Ba1A 93.3(2) 5_676 1_565 ?
B1 O1 Pb1 111.4(5) . 5_676 ?
B1 O1 Ba1A 134.8(6) . 1_565 ?
B5 O1 Pb1 93.3(5) . 5_676 ?
B5 O1 Ba1A 89.4(5) . 1_565 ?
B5 O1 B1 124.4(8) . . ?
Ba1A O2 Ba1A 121.7(3) 2_666 1_565 ?
B5 O2 Ba1A 115.5(4) . 2_666 ?
B5 O2 Ba1A 86.9(4) . 1_565 ?
B5 O2 Ba1A 115.5(4) 2_656 1_565 ?
B5 O2 Ba1A 86.9(4) 2_656 2_666 ?
B5 O2 B5 134.5(11) 2_656 . ?
Ba1A O3 Ba1A 94.15(18) . 4_556 ?
B1 O3 Ba1A 93.8(5) . . ?
B1 O3 Ba1A 125.5(5) . 4_556 ?
B1 O3 B2 120.7(8) . 3_445 ?
B2 O3 Ba1A 133.3(6) 3_445 . ?
B2 O3 Ba1A 90.1(5) 3_445 4_556 ?
B1 O4 B3 124.9(7) 3 7_666 ?
B1 O4 B3 118.9(7) 3 . ?
B3 O4 B3 91.4(7) . 7_666 ?
B2 O5 Pb1 127.5(6) . . ?
B3 O5 Pb1 90.2(5) . . ?
B3 O5 B2 128.5(7) . . ?
B4 O6 Ba1A 103.0(6) . 3 ?
B4 O6 B5 122.5(8) . . ?
B5 O6 Ba1A 134.4(6) . 3 ?
Ba1A O7 Ba1A 94.09(18) 2_656 3 ?
B2 O7 Ba1A 126.4(6) 1_545 3 ?
B2 O7 Ba1A 91.8(5) 1_545 2_656 ?
B4 O7 Ba1A 116.6(5) . 2_656 ?
B4 O7 Ba1A 92.5(6) . 3 ?
B4 O7 B2 131.0(8) . 1_545 ?
B1 O8 Ba1A 101.2(6) . . ?
B4 O8 Ba1A 135.2(6) . . ?
B4 O8 B1 122.7(9) . . ?
Pb1 O9 Pb1 105.1(3) . 7_676 ?
Pb1 O9 Ba1A 105.0(2) . 5_666 ?
Pb1 O9 Ba1A 106.8(2) 7_676 5_666 ?
B3 O9 Pb1 101.2(6) . . ?
B3 O9 Pb1 104.9(5) . 7_676 ?
B3 O9 Ba1A 131.2(6) . 5_666 ?
Pb1 O10 Ba1A 86.43(18) 5_676 1_565 ?
B2 O10 Pb1 113.3(5) . 5_676 ?
B2 O10 Ba1A 126.6(6) . 1_565 ?
B2 O10 B5 138.7(7) . . ?
B5 O10 Pb1 104.5(5) . 5_676 ?
B5 O10 Ba1A 70.2(5) . 1_565 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pb1 B3 O4 B1 51.2(12) . . . 3 ?
Pb1 B3 O4 B3 -176.9(11) . . . 7_666 ?
Pb1 B3 O5 B2 -141.4(10) . . . . ?
Pb1 B3 O9 Pb1 109.1(4) . . . 7_676 ?
Pb1 B3 O9 Ba1A -121.7(7) . . . 5_666 ?
Ba1A B1 O1 Pb1 161.4(11) . . . 5_676 ?
Ba1A B1 O1 Ba1A -80.1(15) . . . 1_565 ?
Ba1A B1 O1 B5 51.4(17) . . . . ?
Ba1A B1 O3 Ba1A 97.8(5) . . . 4_556 ?
Ba1A B1 O3 B2 -147.0(8) . . . 3_445 ?
Ba1A B1 O8 B4 -170.3(9) . . . . ?
Ba1A B2 O5 Pb1 -53(2) 2_666 . . . ?
Ba1A B2 O5 B3 75(3) 2_666 . . . ?
Ba1A B2 O10 Pb1 173.1(3) 2_666 . . 5_676 ?
Ba1A B2 O10 Ba1A 69.5(5) 2_666 . . 1_565 ?
Ba1A B2 O10 B5 -32.3(12) 2_666 . . . ?
Ba1A B4 O6 B5 177.8(9) 3 . . . ?
Ba1A B4 O7 Ba1A 95.8(4) 3 . . 2_656 ?
Ba1A B4 O7 B2 -145.5(10) 3 . . 1_545 ?
Ba1A B5 O1 Pb1 93.3(2) 1_565 . . 5_676 ?
Ba1A B5 O1 B1 -147.9(8) 1_565 . . . ?
Ba1A B5 O2 Ba1A -123.9(5) 1_565 . . 2_666 ?
Ba1A B5 O2 B5 123.5(2) 1_565 . . 2_656 ?
Ba1A B5 O6 Ba1A -145(2) 1_565 . . 3 ?
Ba1A B5 O6 B4 38(3) 1_565 . . . ?
Ba1A B5 O10 Pb1 -80.7(3) 1_565 . . 5_676 ?
Ba1A B5 O10 B2 123.3(11) 1_565 . . . ?
O1 B1 O3 Ba1A -48.7(10) . . . 4_556 ?
O1 B1 O3 Ba1A -146.6(7) . . . . ?
O1 B1 O3 B2 66.5(11) . . . 3_445 ?
O1 B1 O8 Ba1A 149.7(6) . . . . ?
O1 B1 O8 B4 -20.6(12) . . . . ?
O1 B5 O2 Ba1A -163.2(6) . . . 2_666 ?
O1 B5 O2 Ba1A -39.4(8) . . . 1_565 ?
O1 B5 O2 B5 84.1(8) . . . 2_656 ?
O1 B5 O6 Ba1A 157.9(5) . . . 3 ?
O1 B5 O6 B4 -19.1(11) . . . . ?
O1 B5 O10 Pb1 -21.6(8) . . . 5_676 ?
O1 B5 O10 Ba1A 59.1(6) . . . 1_565 ?
O1 B5 O10 B2 -177.5(10) . . . . ?
O2 B5 O1 Pb1 133.8(8) . . . 5_676 ?
O2 B5 O1 Ba1A 40.5(8) . . . 1_565 ?
O2 B5 O1 B1 -107.4(10) . . . . ?
O2 B5 O6 Ba1A -73.8(10) . . . 3 ?
O2 B5 O6 B4 109.3(9) . . . . ?
O2 B5 O10 Pb1 -142.0(5) . . . 5_676 ?
O2 B5 O10 Ba1A -61.3(5) . . . 1_565 ?
O2 B5 O10 B2 62.1(14) . . . . ?
O3 B1 O1 Pb1 -126.6(7) . . . 5_676 ?
O3 B1 O1 Ba1A -8.1(12) . . . 1_565 ?
O3 B1 O1 B5 123.4(9) . . . . ?
O3 B1 O8 Ba1A 21.3(8) . . . . ?
O3 B1 O8 B4 -149.0(8) . . . . ?
O3 B2 O5 Pb1 -123.5(7) 3 . . . ?
O3 B2 O5 B3 4.7(14) 3 . . . ?
O3 B2 O10 Pb1 -125.3(6) 3 . . 5_676 ?
O3 B2 O10 Ba1A 131.2(7) 3 . . 1_565 ?
O3 B2 O10 B5 29.3(15) 3 . . . ?
O4 B1 O1 Pb1 -7.0(8) 3_445 . . 5_676 ?
O4 B1 O1 Ba1A 111.5(7) 3_445 . . 1_565 ?
O4 B1 O1 B5 -117.0(9) 3_445 . . . ?
O4 B1 O3 Ba1A 96.0(7) 3_445 . . . ?
O4 B1 O3 Ba1A -166.2(5) 3_445 . . 4_556 ?
O4 B1 O3 B2 -51.0(11) 3_445 . . 3_445 ?
O4 B1 O8 Ba1A -95.8(7) 3_445 . . . ?
O4 B1 O8 B4 93.9(10) 3_445 . . . ?
O4 B3 O4 B1 -131.8(8) 7_666 . . 3 ?
O4 B3 O4 B3 0.001(1) 7_666 . . 7_666 ?
O4 B3 O5 Pb1 132.4(7) . . . . ?
O4 B3 O5 Pb1 -129.3(7) 7_666 . . . ?
O4 B3 O5 B2 -9.1(14) . . . . ?
O4 B3 O5 B2 89.3(11) 7_666 . . . ?
O4 B3 O9 Pb1 127.1(7) 7_666 . . . ?
O4 B3 O9 Pb1 -130.8(7) . . . . ?
O4 B3 O9 Pb1 -21.7(9) . . . 7_676 ?
O4 B3 O9 Pb1 -123.8(7) 7_666 . . 7_676 ?
O4 B3 O9 Ba1A 107.5(8) . . . 5_666 ?
O4 B3 O9 Ba1A 5.4(12) 7_666 . . 5_666 ?
O5 B2 O10 Pb1 -2.6(9) . . . 5_676 ?
O5 B2 O10 Ba1A -106.1(7) . . . 1_565 ?
O5 B2 O10 B5 152.0(10) . . . . ?
O5 B3 O4 B1 -17.0(12) . . . 3 ?
O5 B3 O4 B3 114.9(10) . . . 7_666 ?
O5 B3 O9 Pb1 -4.0(8) . . . . ?
O5 B3 O9 Pb1 105.1(7) . . . 7_676 ?
O5 B3 O9 Ba1A -125.7(7) . . . 5_666 ?
O6 B4 O7 Ba1A -1.0(8) . . . 3 ?
O6 B4 O7 Ba1A 94.8(8) . . . 2_656 ?
O6 B4 O7 B2 -146.5(9) . . . 1_545 ?
O6 B4 O8 Ba1A -144.3(7) . . . . ?
O6 B4 O8 B1 22.2(13) . . . . ?
O6 B5 O1 Pb1 -99.3(7) . . . 5_676 ?
O6 B5 O1 Ba1A 167.5(7) . . . 1_565 ?
O6 B5 O1 B1 19.5(12) . . . . ?
O6 B5 O2 Ba1A 69.9(9) . . . 2_666 ?
O6 B5 O2 Ba1A -166.2(7) . . . 1_565 ?
O6 B5 O2 B5 -42.7(6) . . . 2_656 ?
O6 B5 O10 Pb1 97.3(7) . . . 5_676 ?
O6 B5 O10 Ba1A 178.0(8) . . . 1_565 ?
O6 B5 O10 B2 -58.7(14) . . . . ?
O7 B2 O5 Pb1 -7.6(10) 1_565 . . . ?
O7 B2 O5 B3 120.5(9) 1_565 . . . ?
O7 B2 O10 Pb1 114.1(7) 1_565 . . 5_676 ?
O7 B2 O10 Ba1A 10.6(10) 1_565 . . 1_565 ?
O7 B2 O10 B5 -91.3(13) 1_565 . . . ?
O7 B4 O6 Ba1A 1.2(9) . . . 3 ?
O7 B4 O6 B5 178.9(7) . . . . ?
O7 B4 O8 Ba1A 36.5(14) . . . . ?
O7 B4 O8 B1 -157.0(9) . . . . ?
O8 B1 O1 Pb1 108.3(7) . . . 5_676 ?
O8 B1 O1 Ba1A -133.2(7) . . . 1_565 ?
O8 B1 O1 B5 -1.7(12) . . . . ?
O8 B1 O3 Ba1A -19.5(7) . . . . ?
O8 B1 O3 Ba1A 78.3(9) . . . 4_556 ?
O8 B1 O3 B2 -166.5(8) . . . 3_445 ?
O8 B4 O6 Ba1A -178.1(7) . . . 3 ?
O8 B4 O6 B5 -0.4(13) . . . . ?
O8 B4 O7 Ba1A 178.2(9) . . . 3 ?
O8 B4 O7 Ba1A -86.0(10) . . . 2_656 ?
O8 B4 O7 B2 32.7(16) . . . 1_545 ?
O9 B3 O4 B1 108.9(9) . . . 3 ?
O9 B3 O4 B3 -119.2(10) . . . 7_666 ?
O9 B3 O5 Pb1 3.5(7) . . . . ?
O9 B3 O5 B2 -137.9(9) . . . . ?
O10 B2 O5 Pb1 112.9(7) . . . . ?
O10 B2 O5 B3 -118.9(10) . . . . ?
O10 B5 O1 Pb1 18.7(7) . . . 5_676 ?
O10 B5 O1 Ba1A -74.6(6) . . . 1_565 ?
O10 B5 O1 B1 137.5(8) . . . . ?
O10 B5 O2 Ba1A 74.0(6) . . . 1_565 ?
O10 B5 O2 Ba1A -49.9(9) . . . 2_666 ?
O10 B5 O2 B5 -162.5(8) . . . 2_656 ?
O10 B5 O6 Ba1A 43.9(10) . . . 3 ?
O10 B5 O6 B4 -133.0(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
