# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_exp_4106
_database_code_depnum_ccdc_archive 'CCDC 1923081'
loop_
_audit_author_name
_audit_author_address
'Zhuang Li'
;Technical Institute of Physics and Chemistry, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-14 deposited with the CCDC.	2019-08-19 downloaded from the CCDC.
;
_audit_creation_date             2019-02-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.17(Ba16 Cl36 O48 Pb48 Sr2)'
_chemical_formula_sum            'Ba2.67 Cl6 O8 Pb8 Sr0.33'
_chemical_formula_weight         2393.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         SrPbOCl
_chemical_oxdiff_usercomment     'hemisphere 0.8 0.5 10s RT'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Sr Sr -1.5307 3.2498 '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      tetragonal
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_space_group_name_Hall           '-I 4'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   16.2418(4)
_cell_length_b                   16.2418(4)
_cell_length_c                   12.9864(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3425.8(2)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    8712
_cell_measurement_temperature    292.79(10)
_cell_measurement_theta_max      26.3340
_cell_measurement_theta_min      3.1210
_shelx_estimated_absorpt_T_max   0.060
_shelx_estimated_absorpt_T_min   0.060
_exptl_absorpt_coefficient_mu    64.744
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.03546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    6.962
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5904
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1205
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24002
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         3.137
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      292.79(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  64.00   0.50   10.00    --   -4.63  57.00   0.00  164
  2  ω    -17.00  69.00   0.50   10.00    --   -4.63  19.00 120.00  172
  3  ω    -24.00  24.00   0.50   10.00    --   -4.63 -99.00 150.00   96
  4  ω     -8.00  18.00   0.50   10.00    --    5.81 -99.00  90.00   52
  5  ω    -24.00   3.00   0.50   10.00    --   -4.63 -99.00  30.00   54
  6  ω    -25.00  27.00   0.50   10.00    --   -4.63 -99.00 -90.00  104
  7  ω    -19.00  11.00   0.50   10.00    --   -4.63 -99.00-120.00   60
  8  ω    -25.00   4.00   0.50   10.00    --    5.81 -99.00-150.00   58
  9  ω    -19.00  13.00   0.50   10.00    --   -4.63  77.00-180.00   64
 10  ω     21.00  55.00   0.50   10.00    --   -4.63  77.00-180.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0171199000
_diffrn_orient_matrix_UB_12      -0.0389950000
_diffrn_orient_matrix_UB_13      0.0120304000
_diffrn_orient_matrix_UB_21      -0.0401120000
_diffrn_orient_matrix_UB_22      -0.0160731000
_diffrn_orient_matrix_UB_23      0.0079347000
_diffrn_orient_matrix_UB_31      -0.0021307000
_diffrn_orient_matrix_UB_32      -0.0113265000
_diffrn_orient_matrix_UB_33      -0.0526905000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1641
_reflns_number_total             1837
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.729
_refine_diff_density_min         -5.330
_refine_diff_density_rms         0.651
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1837
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.053
_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)+(0.0374P)²+140.6403P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0894
_refine_special_details          ?
_olex2_refinement_description    
;
;
_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
Pb3 Pb 0.85229(2) 0.90217(3) 0.35138(3) 0.01462(15) Uani 1 1 d . . . . .
Pb1 Pb 1.02327(2) 0.62868(3) 0.35621(3) 0.01425(15) Uani 1 1 d . . . . .
Pb2 Pb 0.93734(2) 0.74625(3) 0.15431(3) 0.01645(15) Uani 1 1 d . . . . .
Ba1 Ba 0.79115(4) 0.66926(4) 0.34323(6) 0.0198(2) Uani 1 1 d . . . . .
Sr1 Sr 0.5000 0.5000 0.5000 0.0156(5) Uani 1 8 d S T P . .
Cl1 Cl 0.9278(3) 0.7578(3) 0.5000 0.0260(9) Uani 1 2 d S T P . .
Cl3 Cl 0.7247(3) 0.8248(3) 0.5000 0.0273(9) Uani 1 2 d S T P . .
Cl4 Cl 0.6521(3) 0.5942(3) 0.5000 0.0366(12) Uani 1 2 d S T P . .
Cl2 Cl 0.8718(3) 0.5406(3) 0.5000 0.0328(11) Uani 1 2 d S T P . .
Cl5 Cl 0.5000 0.5000 0.2793(5) 0.054(2) Uani 1 4 d S T P . .
O00B O 0.9155(4) 0.6287(4) 0.2464(5) 0.0136(15) Uani 1 1 d . . . . .
O00C O 0.8343(4) 0.7953(4) 0.2570(5) 0.0156(16) Uani 1 1 d . . . . .
O00D O 0.7485(4) 0.9534(4) 0.2659(5) 0.0134(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb3 Ba1 3.6278(10) 13_665 ?
Pb3 Ba1 3.9125(7) . ?
Pb3 O00C 2.145(7) . ?
Pb3 O00D 2.184(7) . ?
Pb1 Pb2 3.5312(7) . ?
Pb1 Ba1 3.7450(9) 15_565 ?
Pb1 Ba1 3.8311(7) . ?
Pb1 O00B 2.286(7) 15_565 ?
Pb1 O00B 2.257(7) . ?
Pb1 O00D 2.303(7) 3_755 ?
Pb2 Ba1 3.6360(9) . ?
Pb2 Ba1 3.9568(7) 13_665 ?
Pb2 Ba1 3.8156(8) 15_565 ?
Pb2 O00B 2.281(7) . ?
Pb2 O00C 2.283(7) . ?
Pb2 O00D 2.291(7) 3_755 ?
Ba1 Pb3 3.6277(10) 13_665 ?
Ba1 Pb1 3.7450(9) 16_645 ?
Ba1 Ba1 3.8115(14) 13_665 ?
Ba1 Cl1 3.338(4) . ?
Ba1 Cl3 3.419(4) . ?
Ba1 Cl4 3.276(4) . ?
Ba1 Cl2 3.198(4) . ?
Ba1 O00B 2.468(7) . ?
Ba1 O00C 2.486(7) 13_665 ?
Ba1 O00C 2.436(7) . ?
Ba1 O00D 2.529(7) 13_665 ?
Sr1 Cl4 2.906(5) 3_655 ?
Sr1 Cl4 2.906(5) 11_566 ?
Sr1 Cl4 2.906(5) 9_666 ?
Sr1 Cl4 2.906(5) . ?
Sr1 Cl5 2.866(6) . ?
Sr1 Cl5 2.866(6) 9_666 ?
Cl1 Ba1 3.337(4) 10_556 ?
Cl3 Ba1 3.420(4) 10_556 ?
Cl4 Ba1 3.276(4) 10_556 ?
Cl2 Ba1 3.198(4) 10_556 ?
O00B Pb1 2.286(7) 16_645 ?
O00C Ba1 2.486(7) 13_665 ?
O00D Pb1 2.303(7) 4_575 ?
O00D Pb2 2.291(7) 4_575 ?
O00D Ba1 2.529(7) 13_665 ?

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
Ba1 Pb3 Ba1 60.59(2) 13_665 . ?
O00C Pb3 Ba1 41.91(19) . 13_665 ?
O00C Pb3 Ba1 33.63(18) . . ?
O00C Pb3 O00D 85.0(3) . . ?
O00D Pb3 Ba1 99.14(18) . . ?
O00D Pb3 Ba1 43.28(18) . 13_665 ?
Pb2 Pb1 Ba1 63.175(15) . 15_565 ?
Pb2 Pb1 Ba1 59.023(15) . . ?
Ba1 Pb1 Ba1 122.196(12) 15_565 . ?
O00B Pb1 Pb2 39.15(17) . . ?
O00B Pb1 Pb2 91.88(17) 15_565 . ?
O00B Pb1 Ba1 37.73(17) . . ?
O00B Pb1 Ba1 39.78(17) 15_565 15_565 ?
O00B Pb1 Ba1 93.10(17) . 15_565 ?
O00B Pb1 Ba1 139.96(17) 15_565 . ?
O00B Pb1 O00B 102.3(2) . 15_565 ?
O00B Pb1 O00D 81.1(3) 15_565 3_755 ?
O00B Pb1 O00D 78.8(2) . 3_755 ?
O00D Pb1 Pb2 39.64(17) 3_755 . ?
O00D Pb1 Ba1 89.65(17) 3_755 . ?
O00D Pb1 Ba1 41.42(18) 3_755 15_565 ?
Pb1 Pb2 Ba1 64.604(16) . . ?
Pb1 Pb2 Ba1 123.521(15) . 13_665 ?
Pb1 Pb2 Ba1 61.148(15) . 15_565 ?
Ba1 Pb2 Ba1 125.750(19) . 15_565 ?
Ba1 Pb2 Ba1 60.09(2) . 13_665 ?
Ba1 Pb2 Ba1 168.83(2) 15_565 13_665 ?
O00B Pb2 Pb1 38.67(17) . . ?
O00B Pb2 Ba1 90.90(17) . 15_565 ?
O00B Pb2 Ba1 98.06(17) . 13_665 ?
O00B Pb2 Ba1 41.98(17) . . ?
O00B Pb2 O00C 82.6(2) . . ?
O00B Pb2 O00D 78.6(2) . 3_755 ?
O00C Pb2 Pb1 92.55(17) . . ?
O00C Pb2 Ba1 35.61(18) . 13_665 ?
O00C Pb2 Ba1 140.72(18) . 15_565 ?
O00C Pb2 Ba1 41.17(17) . . ?
O00C Pb2 O00D 101.1(3) . 3_755 ?
O00D Pb2 Pb1 39.89(17) 3_755 . ?
O00D Pb2 Ba1 39.89(18) 3_755 15_565 ?
O00D Pb2 Ba1 94.83(17) 3_755 . ?
O00D Pb2 Ba1 135.70(18) 3_755 13_665 ?
Pb3 Ba1 Pb1 62.550(16) 13_665 16_645 ?
Pb3 Ba1 Pb2 93.40(2) 13_665 . ?
Pb3 Ba1 Ba1 63.40(2) 13_665 13_665 ?
Pb1 Ba1 Ba1 96.79(3) 16_645 13_665 ?
Pb2 Ba1 Pb1 61.580(15) . 16_645 ?
Pb2 Ba1 Ba1 64.13(2) . 13_665 ?
Cl1 Ba1 Pb3 171.82(6) . 13_665 ?
Cl1 Ba1 Pb1 117.60(6) . 16_645 ?
Cl1 Ba1 Pb2 80.16(5) . . ?
Cl1 Ba1 Ba1 108.93(7) . 13_665 ?
Cl1 Ba1 Cl3 61.87(10) . . ?
Cl3 Ba1 Pb3 116.63(7) . 13_665 ?
Cl3 Ba1 Pb1 171.61(6) . 16_645 ?
Cl3 Ba1 Pb2 110.72(7) . . ?
Cl3 Ba1 Ba1 76.06(5) . 13_665 ?
Cl4 Ba1 Pb3 82.61(5) . 13_665 ?
Cl4 Ba1 Pb1 115.71(8) . 16_645 ?
Cl4 Ba1 Pb2 175.97(6) . . ?
Cl4 Ba1 Ba1 114.16(8) . 13_665 ?
Cl4 Ba1 Cl1 103.86(8) . . ?
Cl4 Ba1 Cl3 71.78(10) . . ?
Cl2 Ba1 Pb3 119.82(7) . 13_665 ?
Cl2 Ba1 Pb1 83.34(6) . 16_645 ?
Cl2 Ba1 Pb2 112.77(8) . . ?
Cl2 Ba1 Ba1 176.10(8) . 13_665 ?
Cl2 Ba1 Cl1 67.72(9) . . ?
Cl2 Ba1 Cl3 103.48(8) . . ?
Cl2 Ba1 Cl4 69.09(10) . . ?
O00B Ba1 Pb3 94.90(16) . 13_665 ?
O00B Ba1 Pb1 36.34(15) . 16_645 ?
O00B Ba1 Pb2 38.18(15) . . ?
O00B Ba1 Ba1 98.46(16) . 13_665 ?
O00B Ba1 Cl1 83.18(17) . . ?
O00B Ba1 Cl3 139.35(17) . . ?
O00B Ba1 Cl4 141.36(17) . . ?
O00B Ba1 Cl2 79.32(17) . . ?
O00B Ba1 O00C 117.8(2) . 13_665 ?
O00B Ba1 O00D 73.3(2) . 13_665 ?
O00C Ba1 Pb3 97.67(17) . 13_665 ?
O00C Ba1 Pb3 35.19(15) 13_665 13_665 ?
O00C Ba1 Pb1 93.98(15) 13_665 16_645 ?
O00C Ba1 Pb1 96.55(16) . 16_645 ?
O00C Ba1 Pb2 95.87(16) 13_665 . ?
O00C Ba1 Pb2 38.10(16) . . ?
O00C Ba1 Ba1 38.78(16) 13_665 13_665 ?
O00C Ba1 Ba1 39.72(17) . 13_665 ?
O00C Ba1 Cl1 139.90(17) 13_665 . ?
O00C Ba1 Cl1 74.15(18) . . ?
O00C Ba1 Cl3 75.15(17) . . ?
O00C Ba1 Cl3 83.22(16) 13_665 . ?
O00C Ba1 Cl4 142.82(18) . . ?
O00C Ba1 Cl4 81.18(17) 13_665 . ?
O00C Ba1 Cl2 145.12(18) 13_665 . ?
O00C Ba1 Cl2 136.38(19) . . ?
O00C Ba1 O00B 75.8(2) . . ?
O00C Ba1 O00C 78.5(3) . 13_665 ?
O00C Ba1 O00D 71.4(2) 13_665 13_665 ?
O00C Ba1 O00D 118.6(2) . 13_665 ?
O00D Ba1 Pb3 36.31(15) 13_665 13_665 ?
O00D Ba1 Pb1 37.05(15) 13_665 16_645 ?
O00D Ba1 Pb2 93.39(15) 13_665 . ?
O00D Ba1 Ba1 95.57(16) 13_665 13_665 ?
O00D Ba1 Cl1 148.27(17) 13_665 . ?
O00D Ba1 Cl3 146.68(17) 13_665 . ?
O00D Ba1 Cl4 83.08(17) 13_665 . ?
O00D Ba1 Cl2 86.89(17) 13_665 . ?
Cl4 Sr1 Cl4 90.0 9_666 3_655 ?
Cl4 Sr1 Cl4 180.0 9_666 . ?
Cl4 Sr1 Cl4 180.0 11_566 3_655 ?
Cl4 Sr1 Cl4 90.0 3_655 . ?
Cl4 Sr1 Cl4 90.0 11_566 . ?
Cl4 Sr1 Cl4 90.0 9_666 11_566 ?
Cl5 Sr1 Cl4 90.000(1) 9_666 9_666 ?
Cl5 Sr1 Cl4 90.0 9_666 11_566 ?
Cl5 Sr1 Cl4 90.000(1) . . ?
Cl5 Sr1 Cl4 90.000(1) . 9_666 ?
Cl5 Sr1 Cl4 90.0 . 3_655 ?
Cl5 Sr1 Cl4 90.000(1) 9_666 . ?
Cl5 Sr1 Cl4 90.0 9_666 3_655 ?
Cl5 Sr1 Cl4 90.0 . 11_566 ?
Cl5 Sr1 Cl5 180.0 9_666 . ?
Ba1 Cl1 Ba1 75.18(10) 10_556 . ?
Ba1 Cl3 Ba1 73.08(9) . 10_556 ?
Ba1 Cl4 Ba1 76.86(10) . 10_556 ?
Sr1 Cl4 Ba1 141.44(5) . . ?
Sr1 Cl4 Ba1 141.44(5) . 10_556 ?
Ba1 Cl2 Ba1 79.08(12) 10_556 . ?
Pb1 O00B Pb1 127.7(3) . 16_645 ?
Pb1 O00B Pb2 102.2(3) . . ?
Pb1 O00B Ba1 103.9(3) 16_645 . ?
Pb1 O00B Ba1 108.2(3) . . ?
Pb2 O00B Pb1 111.7(3) . 16_645 ?
Pb2 O00B Ba1 99.8(2) . . ?
Pb3 O00C Pb2 121.1(3) . . ?
Pb3 O00C Ba1 117.2(3) . . ?
Pb3 O00C Ba1 102.9(3) . 13_665 ?
Pb2 O00C Ba1 100.7(2) . . ?
Pb2 O00C Ba1 112.1(3) . 13_665 ?
Ba1 O00C Ba1 101.5(3) . 13_665 ?
Pb3 O00D Pb1 117.1(3) . 4_575 ?
Pb3 O00D Pb2 129.0(3) . 4_575 ?
Pb3 O00D Ba1 100.4(3) . 13_665 ?
Pb1 O00D Ba1 101.5(3) 4_575 13_665 ?
Pb2 O00D Pb1 100.5(3) 4_575 4_575 ?
Pb2 O00D Ba1 104.6(3) 4_575 13_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 9.421
_oxdiff_exptl_absorpt_empirical_full_min 0.278
