# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_20250624-g2-2
_database_code_depnum_ccdc_archive 'CCDC 2516730'
loop_
_audit_author_name
_audit_author_address
'Jian-Han Zhang'
;Sanming University
China
;
_audit_update_record             
;
2026-01-28 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2026-01-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl2 H2 O6 P2 Pb3, 0.5(H4 O2)'
_chemical_formula_sum            'Cl2 H4 O7 P2 Pb3'
_chemical_formula_weight         870.44
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   7.0370(3)
_cell_length_b                   5.4777(2)
_cell_length_c                   14.1283(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.808(3)
_cell_angle_gamma                90
_cell_volume                     542.68(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2275
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.1120
_cell_measurement_theta_min      2.8760
_shelx_estimated_absorpt_T_max   0.452
_shelx_estimated_absorpt_T_min   0.164
_exptl_absorpt_coefficient_mu    47.212
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.03427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (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    5.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3525
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        24.989
_diffrn_reflns_theta_max         24.989
_diffrn_reflns_theta_min         2.894
_diffrn_ambient_temperature      293.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -23.00   3.00   0.50    6.12    --   20.00  54.00 -90.00   52
  2  ω     12.00 110.00   0.50    6.12    --   20.00  54.00 -90.00  196
  3  ω    -71.00 110.00   0.50    6.12    --   20.00  54.00  30.00  362
  4  ω    -16.00   9.00   0.50    6.12    --   20.00  54.00-180.00   50
  5  ω     41.00  66.00   0.50    6.12    --   20.00  54.00-180.00   50
  6  ω     73.00 109.00   0.50    6.12    --   20.00  54.00-180.00   72
  7  ω    -35.00 -10.00   0.50    6.12    --   20.00  54.00 -30.00   50
  8  ω     43.00  68.00   0.50    6.12    --   20.00  54.00 -30.00   50
  9  ω    -17.00   8.00   0.50    6.12    --   20.00  54.00-120.00   50
 10  ω    -69.00 -40.00   0.50    6.12    --   20.00  54.00 -90.00   58
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                957
_reflns_number_total             1059
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.079
_refine_diff_density_min         -1.858
_refine_diff_density_rms         0.340
_refine_ls_extinction_coef       0.0034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1059
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0290
_refine_ls_restrained_S_all      1.052
_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)+(0.0247P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0646
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All H(H) groups, All O(H) groups
2. Restrained distances
 P1-H1 = P2-H2
 1.3 with sigma of 0.02
 O5-H5B = O5-H5A
 0.85 with sigma of 0.02
 H5B-H5A
 1.4 with sigma of 0.02
3. Others
 Fixed Sof: H5A(0.5)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb3 Pb 0.09996(7) 1.250000 0.87235(4) 0.01557(19) Uani 1 2 d S T P . .
Pb1 Pb 0.64326(7) 0.750000 0.38987(4) 0.01726(19) Uani 1 2 d S T P . .
Pb2 Pb 0.81113(7) 0.750000 0.67663(4) 0.01627(19) Uani 1 2 d S T P . .
P1 P 0.8338(5) 0.250000 0.5295(2) 0.0091(7) Uani 1 2 d DS T P . .
Cl2 Cl -0.2747(5) 1.250000 0.7713(2) 0.0204(8) Uani 1 2 d S T P . .
P2 P 0.3510(5) 0.750000 0.7570(2) 0.0135(8) Uani 1 2 d DS T P . .
Cl1 Cl -0.0591(7) 0.750000 0.9125(3) 0.0372(11) Uani 1 2 d S T P . .
O2 O 0.7166(9) 0.4814(11) 0.5422(4) 0.0150(15) Uani 1 1 d . . . . .
O4 O 0.2285(9) 0.9821(12) 0.7520(4) 0.0221(17) Uani 1 1 d . . . . .
O3 O 0.4807(13) 0.750000 0.6780(6) 0.017(2) Uani 1 2 d S T P . .
O1 O 1.0152(13) 0.250000 0.5934(7) 0.021(2) Uani 1 2 d S T P . .
H1 H 0.879(18) 0.250000 0.442(3) 0.032 Uiso 1 2 d DS U P . .
H2 H 0.451(15) 0.750000 0.839(4) 0.02(3) Uiso 1 2 d DS . P . .
O5 O 0.473(2) 1.250000 0.9514(9) 0.055(4) Uani 1 2 d DS T P . .
H5A H 0.568(14) 1.33(3) 0.978(8) 0.03(7) Uiso 0.5 1 d D . P . .
H5B H 0.48(2) 1.250000 0.8914(18) 0.040 Uiso 1 2 d DS U 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
Pb3 Cl2 2.891(4) . ?
Pb3 Cl2 2.891(4) 4_585 ?
Pb3 Cl1 3.0303(19) 1_565 ?
Pb3 Cl1 3.077(4) 3_577 ?
Pb3 Cl1 3.0303(19) . ?
Pb3 O4 2.474(6) . ?
Pb3 O4 2.474(6) 4_585 ?
Pb1 O2 2.622(6) . ?
Pb1 O2 2.622(6) 4_575 ?
Pb1 O4 2.700(6) 2_646 ?
Pb1 O4 2.700(6) 3_676 ?
Pb1 O1 2.395(9) 3_766 ?
Pb2 Cl2 3.1287(17) 4_675 ?
Pb2 O2 2.450(6) 4_575 ?
Pb2 O2 2.450(6) . ?
Pb2 O3 2.327(9) . ?
P1 O2 1.531(6) 4_565 ?
P1 O2 1.531(6) . ?
P1 O1 1.500(9) . ?
P1 H1 1.30(2) . ?
Cl2 Cl2 0.000(7) 4_585 ?
P2 O4 1.534(7) . ?
P2 O4 1.534(7) 4_575 ?
P2 O3 1.499(9) . ?
P2 H2 1.30(2) . ?
O5 H5A 0.85(2) . ?
O5 H5A 0.85(2) 4_585 ?
O5 H5B 0.85(2) . ?

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
Cl2 Pb3 Cl2 0.00(7) . 4_585 ?
Cl2 Pb3 Cl1 75.92(9) 4_585 . ?
Cl2 Pb3 Cl1 75.92(9) . . ?
Cl2 Pb3 Cl1 75.92(9) 4_585 1_565 ?
Cl2 Pb3 Cl1 109.34(11) . 3_577 ?
Cl2 Pb3 Cl1 75.92(9) . 1_565 ?
Cl2 Pb3 Cl1 109.34(11) 4_585 3_577 ?
Cl1 Pb3 Cl1 75.43(8) . 3_577 ?
Cl1 Pb3 Cl1 129.33(15) . 1_565 ?
Cl1 Pb3 Cl1 75.43(8) 1_565 3_577 ?
O4 Pb3 Cl2 91.79(17) . . ?
O4 Pb3 Cl2 91.79(17) 4_585 4_585 ?
O4 Pb3 Cl2 91.79(17) 4_585 . ?
O4 Pb3 Cl2 91.79(17) . 4_585 ?
O4 Pb3 Cl1 138.48(16) . 3_577 ?
O4 Pb3 Cl1 138.48(16) 4_585 3_577 ?
O4 Pb3 Cl1 145.78(17) 4_585 . ?
O4 Pb3 Cl1 145.78(17) . 1_565 ?
O4 Pb3 Cl1 75.80(16) 4_585 1_565 ?
O4 Pb3 Cl1 75.80(16) . . ?
O4 Pb3 O4 72.8(3) 4_585 . ?
O2 Pb1 O2 68.2(3) . 4_575 ?
O2 Pb1 O4 104.44(19) . 2_646 ?
O2 Pb1 O4 104.44(19) 4_575 3_676 ?
O2 Pb1 O4 149.2(2) . 3_676 ?
O2 Pb1 O4 149.2(2) 4_575 2_646 ?
O4 Pb1 O4 65.9(3) 2_646 3_676 ?
O1 Pb1 O2 78.0(2) 3_766 4_575 ?
O1 Pb1 O2 78.0(2) 3_766 . ?
O1 Pb1 O4 71.2(2) 3_766 2_646 ?
O1 Pb1 O4 71.2(2) 3_766 3_676 ?
O2 Pb2 Cl2 143.84(15) 4_575 4_675 ?
O2 Pb2 Cl2 75.88(15) . 4_675 ?
O2 Pb2 O2 73.8(3) 4_575 . ?
O3 Pb2 Cl2 76.56(12) . 4_675 ?
O3 Pb2 O2 78.5(2) . . ?
O3 Pb2 O2 78.5(2) . 4_575 ?
O2 P1 O2 111.8(5) 4_565 . ?
O2 P1 H1 107(3) . . ?
O2 P1 H1 107(3) 4_565 . ?
O1 P1 O2 111.6(3) . . ?
O1 P1 O2 111.6(3) . 4_565 ?
O1 P1 H1 108(6) . . ?
Cl2 Cl2 Pb3 0(10) 4_585 . ?
O4 P2 O4 111.9(5) . 4_575 ?
O4 P2 H2 107(3) 4_575 . ?
O4 P2 H2 107(3) . . ?
O3 P2 O4 109.9(3) . 4_575 ?
O3 P2 O4 109.9(3) . . ?
O3 P2 H2 110(5) . . ?
Pb3 Cl1 Pb3 104.57(8) 1_545 3_577 ?
Pb3 Cl1 Pb3 104.57(8) . 3_577 ?
Pb3 Cl1 Pb3 129.33(15) 1_545 . ?
Pb2 O2 Pb1 108.7(2) . . ?
P1 O2 Pb1 116.0(3) . . ?
P1 O2 Pb2 118.3(3) . . ?
Pb3 O4 Pb1 110.6(2) . 3_676 ?
P2 O4 Pb3 134.1(4) . . ?
P2 O4 Pb1 105.3(3) . 3_676 ?
P2 O3 Pb2 132.6(6) . . ?
P1 O1 Pb1 148.8(6) . 3_766 ?
H5A O5 H5A 59(10) . 4_585 ?
H5A O5 H5B 111(4) . . ?
H5B O5 H5A 111(4) . 4_585 ?

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
O2 P1 O2 Pb1 -113.1(4) 4_565 . . . ?
O2 P1 O2 Pb2 114.9(4) 4_565 . . . ?
O2 P1 O1 Pb1 -117.0(3) . . . 3_766 ?
O2 P1 O1 Pb1 117.0(3) 4_565 . . 3_766 ?
O4 P2 O4 Pb3 92.3(6) 4_575 . . . ?
O4 P2 O4 Pb1 -127.1(3) 4_575 . . 3_676 ?
O4 P2 O3 Pb2 -118.2(3) 4_575 . . . ?
O4 P2 O3 Pb2 118.2(3) . . . . ?
O3 P2 O4 Pb3 -145.3(5) . . . . ?
O3 P2 O4 Pb1 -4.7(5) . . . 3_676 ?
O1 P1 O2 Pb1 121.1(4) . . . . ?
O1 P1 O2 Pb2 -11.0(5) . . . . ?

_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
;
####################################################################### 
# 
# 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_20250625-g5-1
_database_code_depnum_ccdc_archive 'CCDC 2516731'
loop_
_audit_author_name
_audit_author_address
'Jian-Han Zhang'
;Sanming University
China
;
_audit_update_record             
;
2026-01-28 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
_audit_creation_date             2026-01-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl4 H3 O4 P Pb3'
_chemical_formula_sum            'Cl4 H3 O4 P Pb3'
_chemical_formula_weight         861.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.7896(3)
_cell_length_b                   8.4224(2)
_cell_length_c                   16.4621(4)
_cell_angle_alpha                90
_cell_angle_beta                 102.742(2)
_cell_angle_gamma                90
_cell_volume                     2135.32(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8684
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.3660
_cell_measurement_theta_min      2.5150
_shelx_estimated_absorpt_T_max   0.248
_shelx_estimated_absorpt_T_min   0.133
_exptl_absorpt_coefficient_mu    48.313
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.11861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (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    5.359
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15996
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.618
_diffrn_ambient_temperature      293.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -35.00  15.00   0.50   38.35    --   20.00  54.00 -90.00  100
  2  ω     39.00 105.00   0.50   38.35    --   20.00  54.00 -90.00  132
  3  ω    -70.00  63.00   0.50   38.35    --   20.00  54.00-180.00  266
  4  ω     71.00 107.00   0.50   38.35    --   20.00  54.00-180.00   72
  5  ω    -74.00 -17.00   0.50   38.35    --   20.00  54.00  30.00  114
  6  ω     41.00  66.00   0.50   38.35    --   20.00  54.00  30.00   50
  7  ω    -72.00  40.00   0.50   38.35    --   20.00  54.00 150.00  224
  8  ω     83.00 108.00   0.50   38.35    --   20.00  54.00 150.00   50
  9  ω    -45.00   5.00   0.50   38.35    --   20.00  54.00 -30.00  100
 10  ω     55.00  80.00   0.50   38.35    --   20.00  54.00-120.00   50
 11  ω    -61.00 -36.00   0.50   38.35    --   20.00  54.00 -90.00   50
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3068
_reflns_number_total             3674
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.141
_refine_diff_density_min         -1.865
_refine_diff_density_rms         0.376
_refine_ls_extinction_coef       0.00082(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3674
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.019
_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)+(0.0443P)²+2.0635P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0787
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.3 times of:
  All O(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 P2-H2 = P1-H1
 1.3 with sigma of 0.02
3.a Free rotating group:
 O7(H7A,H7B), O8(H8A,H8B)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb2 Pb 0.21903(2) 0.34237(5) 0.38262(2) 0.01340(13) Uani 1 1 d . . . . .
Pb5 Pb 0.28840(2) 0.40861(5) 0.62255(2) 0.01323(13) Uani 1 1 d . . . . .
Pb3 Pb 0.06925(3) 0.13873(4) 0.14854(3) 0.01479(12) Uani 1 1 d . . . . .
Pb1 Pb 0.45369(3) 0.11362(5) 0.36443(3) 0.01662(13) Uani 1 1 d . . . . .
Pb4 Pb 0.05683(3) 0.63638(5) 0.63482(3) 0.01872(13) Uani 1 1 d . . . . .
Pb6 Pb 0.43974(3) 0.62554(4) 0.85585(3) 0.01671(13) Uani 1 1 d . . . . .
P2 P 0.24684(16) 0.7986(3) 0.70560(16) 0.0108(6) Uani 1 1 d D . . . .
Cl4 Cl -0.06751(16) 0.8769(3) 0.67013(16) 0.0144(6) Uani 1 1 d . . . . .
Cl7 Cl 0.44000(16) 0.6144(3) 0.67195(16) 0.0151(6) Uani 1 1 d . . . . .
Cl3 Cl 0.40323(17) 0.3692(3) 0.47364(16) 0.0161(6) Uani 1 1 d . . . . .
P1 P 0.25737(15) -0.0400(3) 0.29403(16) 0.0101(5) Uani 1 1 d D . . . .
Cl1 Cl 0.57155(17) -0.1341(3) 0.32658(17) 0.0170(6) Uani 1 1 d . . . . .
Cl5 Cl 0.09723(16) 0.3806(3) 0.52409(16) 0.0150(6) Uani 1 1 d . . . . .
Cl2 Cl 0.59721(17) 0.1201(3) 0.51618(17) 0.0180(6) Uani 1 1 d . . . . .
Cl6 Cl 0.09378(17) 0.8720(3) 0.51638(17) 0.0189(6) Uani 1 1 d . . . . .
Cl8 Cl 0.56246(18) 0.8728(3) 0.82474(17) 0.0196(6) Uani 1 1 d . . . . .
O2 O 0.3377(4) -0.1351(7) 0.2823(4) 0.0163(17) Uani 1 1 d . . . . .
O7 O 0.2469(4) 0.1281(7) 0.5136(5) 0.022(2) Uani 1 1 d G . . . .
H7A H 0.286838 0.070035 0.502245 0.032 Uiso 1 1 d G U . . .
H7B H 0.204798 0.064801 0.512477 0.032 Uiso 1 1 d G U . . .
O5 O 0.1656(4) 0.8888(7) 0.7186(4) 0.0163(17) Uani 1 1 d . . . . .
O8 O 0.2513(4) 0.6230(7) 0.4844(5) 0.025(2) Uani 1 1 d G . . . .
H8A H 0.207318 0.682302 0.482680 0.038 Uiso 1 1 d G U . . .
H8B H 0.294200 0.686442 0.493153 0.038 Uiso 1 1 d G U . . .
O6 O 0.3098(4) 0.7865(8) 0.7899(4) 0.0194(17) Uani 1 1 d . . . . .
O3 O 0.1954(4) -0.0224(8) 0.2090(4) 0.0161(16) Uani 1 1 d . . . . .
O1 O 0.2866(4) 0.1192(7) 0.3347(4) 0.0167(17) Uani 1 1 d . . . . .
O4 O 0.2203(4) 0.6385(7) 0.6661(4) 0.0174(17) Uani 1 1 d . . . . .
H2 H 0.285(6) 0.885(9) 0.659(5) 0.023 Uiso 1 1 d D U . . .
H1 H 0.220(8) -0.128(11) 0.341(7) 0.06(4) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb2 Cl4 2.995(2) 3_566 ?
Pb2 Cl3 2.972(3) . ?
Pb2 P1 3.171(3) 2 ?
Pb2 O2 2.671(7) 2 ?
Pb2 O7 2.771(7) . ?
Pb2 O8 2.877(7) . ?
Pb2 O3 2.509(6) 2 ?
Pb2 O1 2.380(6) . ?
Pb5 P2 3.141(2) 2_546 ?
Pb5 Cl7 2.922(2) . ?
Pb5 O7 2.951(7) . ?
Pb5 O5 2.560(7) 2_546 ?
Pb5 O8 2.862(8) . ?
Pb5 O6 2.553(6) 2_546 ?
Pb5 O4 2.400(6) . ?
Pb3 Cl4 2.994(3) 3_566 ?
Pb3 Cl7 3.034(2) 4_565 ?
Pb3 Cl1 3.029(3) 2 ?
Pb3 Cl2 3.081(3) 4_565 ?
Pb3 O2 2.520(7) 2 ?
Pb3 O3 2.434(6) . ?
Pb1 Cl7 2.978(2) 3_666 ?
Pb1 Cl3 3.022(2) . ?
Pb1 Cl1 2.952(2) . ?
Pb1 Cl2 2.980(3) . ?
Pb1 Cl2 3.014(3) 3_656 ?
Pb1 Cl8 3.070(3) 3_666 ?
Pb1 O1 2.575(6) . ?
Pb4 Cl4 2.966(2) . ?
Pb4 Cl5 2.980(2) . ?
Pb4 Cl6 2.930(3) . ?
Pb4 Cl8 3.078(3) 2_546 ?
Pb4 O5 2.885(7) . ?
Pb4 O4 2.519(7) . ?
Pb6 Cl4 3.004(2) 2_546 ?
Pb6 Cl7 3.030(3) . ?
Pb6 Cl5 3.061(2) 2_556 ?
Pb6 Cl8 2.965(3) . ?
Pb6 O5 2.710(7) 2_546 ?
Pb6 O6 2.499(7) . ?
P2 O5 1.546(7) . ?
P2 O6 1.522(7) . ?
P2 O4 1.515(6) . ?
P2 H2 1.30(2) . ?
P1 O2 1.547(7) . ?
P1 O3 1.529(7) . ?
P1 O1 1.525(6) . ?
P1 H1 1.30(2) . ?
O7 H7A 0.8509 . ?
O7 H7B 0.8491 . ?
O8 H8A 0.8504 . ?
O8 H8B 0.8500 . ?

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
Cl4 Pb2 P1 100.05(7) 3_566 2 ?
Cl3 Pb2 Cl4 145.41(7) . 3_566 ?
Cl3 Pb2 P1 97.98(7) . 2 ?
O2 Pb2 Cl4 71.45(14) 2 3_566 ?
O2 Pb2 Cl3 125.34(15) 2 . ?
O2 Pb2 P1 29.14(14) 2 2 ?
O2 Pb2 O7 142.85(19) 2 . ?
O2 Pb2 O8 120.7(2) 2 . ?
O7 Pb2 Cl4 78.67(14) . 3_566 ?
O7 Pb2 Cl3 71.79(14) . . ?
O7 Pb2 P1 152.41(14) . 2 ?
O7 Pb2 O8 96.0(2) . . ?
O8 Pb2 Cl4 134.65(14) . 3_566 ?
O8 Pb2 Cl3 67.44(14) . . ?
O8 Pb2 P1 103.64(17) . 2 ?
O3 Pb2 Cl4 127.39(16) 2 3_566 ?
O3 Pb2 Cl3 70.83(16) 2 . ?
O3 Pb2 P1 28.27(15) 2 2 ?
O3 Pb2 O2 57.4(2) 2 2 ?
O3 Pb2 O7 138.5(2) 2 . ?
O3 Pb2 O8 85.8(2) 2 . ?
O1 Pb2 Cl4 78.76(16) . 3_566 ?
O1 Pb2 Cl3 76.49(17) . . ?
O1 Pb2 P1 77.93(17) . 2 ?
O1 Pb2 O2 78.1(2) . 2 ?
O1 Pb2 O7 74.8(2) . . ?
O1 Pb2 O8 143.8(2) . . ?
O1 Pb2 O3 79.6(2) . 2 ?
Cl7 Pb5 P2 102.78(7) . 2_546 ?
Cl7 Pb5 O7 134.63(13) . . ?
O7 Pb5 P2 104.58(15) . 2_546 ?
O5 Pb5 P2 29.27(15) 2_546 2_546 ?
O5 Pb5 Cl7 73.96(15) 2_546 . ?
O5 Pb5 O7 122.9(2) 2_546 . ?
O5 Pb5 O8 144.6(2) 2_546 . ?
O8 Pb5 P2 148.88(15) . 2_546 ?
O8 Pb5 Cl7 81.87(14) . . ?
O8 Pb5 O7 92.4(2) . . ?
O6 Pb5 P2 28.71(16) 2_546 2_546 ?
O6 Pb5 Cl7 130.07(16) 2_546 . ?
O6 Pb5 O7 86.5(2) 2_546 . ?
O6 Pb5 O5 57.9(2) 2_546 2_546 ?
O6 Pb5 O8 131.2(2) 2_546 . ?
O4 Pb5 P2 77.82(17) . 2_546 ?
O4 Pb5 Cl7 80.30(16) . . ?
O4 Pb5 O7 140.7(2) . . ?
O4 Pb5 O5 78.0(2) . 2_546 ?
O4 Pb5 O8 72.6(2) . . ?
O4 Pb5 O6 77.8(2) . 2_546 ?
Cl4 Pb3 Cl7 71.83(7) 3_566 4_565 ?
Cl4 Pb3 Cl1 74.01(7) 3_566 2 ?
Cl4 Pb3 Cl2 140.19(6) 3_566 4_565 ?
Cl7 Pb3 Cl2 139.33(7) 4_565 4_565 ?
Cl1 Pb3 Cl7 83.82(7) 2 4_565 ?
Cl1 Pb3 Cl2 84.44(7) 2 4_565 ?
O2 Pb3 Cl4 73.45(16) 2 3_566 ?
O2 Pb3 Cl7 144.64(16) 2 4_565 ?
O2 Pb3 Cl1 80.42(16) 2 2 ?
O2 Pb3 Cl2 70.18(16) 2 4_565 ?
O3 Pb3 Cl4 75.80(16) . 3_566 ?
O3 Pb3 Cl7 93.96(16) . 4_565 ?
O3 Pb3 Cl1 148.86(16) . 2 ?
O3 Pb3 Cl2 115.12(16) . 4_565 ?
O3 Pb3 O2 83.9(2) . 2 ?
Cl7 Pb1 Cl3 78.82(7) 3_666 . ?
Cl7 Pb1 Cl2 78.25(7) 3_666 . ?
Cl7 Pb1 Cl2 151.28(7) 3_666 3_656 ?
Cl7 Pb1 Cl8 72.05(7) 3_666 3_666 ?
Cl3 Pb1 Cl8 127.10(7) . 3_666 ?
Cl1 Pb1 Cl7 95.26(7) . 3_666 ?
Cl1 Pb1 Cl3 152.89(7) . . ?
Cl1 Pb1 Cl2 77.98(7) . . ?
Cl1 Pb1 Cl2 86.97(7) . 3_656 ?
Cl1 Pb1 Cl8 74.18(7) . 3_666 ?
Cl2 Pb1 Cl3 86.22(7) 3_656 . ?
Cl2 Pb1 Cl3 74.92(7) . . ?
Cl2 Pb1 Cl2 74.23(8) . 3_656 ?
Cl2 Pb1 Cl8 135.35(7) 3_656 3_666 ?
Cl2 Pb1 Cl8 136.65(7) . 3_666 ?
O1 Pb1 Cl7 123.16(15) . 3_666 ?
O1 Pb1 Cl3 72.92(15) . . ?
O1 Pb1 Cl1 129.79(14) . . ?
O1 Pb1 Cl2 74.12(15) . 3_656 ?
O1 Pb1 Cl2 135.77(16) . . ?
O1 Pb1 Cl8 87.38(16) . 3_666 ?
Cl4 Pb4 Cl5 148.61(7) . . ?
Cl4 Pb4 Cl8 89.25(7) . 2_546 ?
Cl5 Pb4 Cl8 80.49(7) . 2_546 ?
Cl6 Pb4 Cl4 84.57(7) . . ?
Cl6 Pb4 Cl5 88.96(7) . . ?
Cl6 Pb4 Cl8 148.63(8) . 2_546 ?
O5 Pb4 Cl4 75.70(14) . . ?
O5 Pb4 Cl5 129.78(14) . . ?
O5 Pb4 Cl6 68.54(14) . . ?
O5 Pb4 Cl8 139.12(14) . 2_546 ?
O4 Pb4 Cl4 130.38(15) . . ?
O4 Pb4 Cl5 77.42(15) . . ?
O4 Pb4 Cl6 77.62(16) . . ?
O4 Pb4 Cl8 127.56(15) . 2_546 ?
O4 Pb4 O5 54.69(19) . . ?
Cl4 Pb6 Cl7 71.77(7) 2_546 . ?
Cl4 Pb6 Cl5 144.20(7) 2_546 2_556 ?
Cl7 Pb6 Cl5 135.18(7) . 2_556 ?
Cl8 Pb6 Cl4 88.86(7) . 2_546 ?
Cl8 Pb6 Cl7 72.79(7) . . ?
Cl8 Pb6 Cl5 81.00(7) . 2_556 ?
O5 Pb6 Cl4 77.69(15) 2_546 2_546 ?
O5 Pb6 Cl7 70.20(15) 2_546 . ?
O5 Pb6 Cl5 128.54(15) 2_546 2_556 ?
O5 Pb6 Cl8 142.92(15) 2_546 . ?
O6 Pb6 Cl4 146.06(16) . 2_546 ?
O6 Pb6 Cl7 76.40(15) . . ?
O6 Pb6 Cl5 69.16(16) . 2_556 ?
O6 Pb6 Cl8 92.82(16) . . ?
O6 Pb6 O5 80.8(2) . 2_546 ?
Pb5 P2 H2 125(4) 2_556 . ?
O5 P2 Pb5 54.1(3) . 2_556 ?
O5 P2 H2 109(4) . . ?
O6 P2 Pb5 53.7(2) . 2_556 ?
O6 P2 O5 107.5(4) . . ?
O6 P2 H2 106(5) . . ?
O4 P2 Pb5 124.2(3) . 2_556 ?
O4 P2 O5 109.7(4) . . ?
O4 P2 O6 113.3(4) . . ?
O4 P2 H2 111(4) . . ?
Pb2 Cl4 Pb6 155.13(10) 3_566 2_556 ?
Pb3 Cl4 Pb2 94.57(7) 3_566 3_566 ?
Pb3 Cl4 Pb6 109.07(8) 3_566 2_556 ?
Pb4 Cl4 Pb2 92.47(6) . 3_566 ?
Pb4 Cl4 Pb3 108.51(8) . 3_566 ?
Pb4 Cl4 Pb6 87.36(7) . 2_556 ?
Pb5 Cl7 Pb3 94.61(7) . 4_666 ?
Pb5 Cl7 Pb1 149.76(10) . 3_666 ?
Pb5 Cl7 Pb6 96.60(7) . . ?
Pb1 Cl7 Pb3 95.17(7) 3_666 4_666 ?
Pb1 Cl7 Pb6 107.59(8) 3_666 . ?
Pb6 Cl7 Pb3 107.33(8) . 4_666 ?
Pb2 Cl3 Pb1 90.18(7) . . ?
Pb2 P1 H1 122(5) 2_545 . ?
O2 P1 Pb2 57.2(3) . 2_545 ?
O2 P1 H1 106(5) . . ?
O3 P1 Pb2 51.0(2) . 2_545 ?
O3 P1 O2 108.2(4) . . ?
O3 P1 H1 108(6) . . ?
O1 P1 Pb2 126.3(3) . 2_545 ?
O1 P1 O2 109.4(4) . . ?
O1 P1 O3 112.8(4) . . ?
O1 P1 H1 112(5) . . ?
Pb1 Cl1 Pb3 84.39(7) . 2_545 ?
Pb4 Cl5 Pb6 90.88(7) . 2_546 ?
Pb1 Cl2 Pb3 82.47(7) 3_656 4_666 ?
Pb1 Cl2 Pb3 113.82(8) . 4_666 ?
Pb1 Cl2 Pb1 105.77(8) . 3_656 ?
Pb1 Cl8 Pb4 105.95(8) 3_666 2_556 ?
Pb6 Cl8 Pb1 106.86(8) . 3_666 ?
Pb6 Cl8 Pb4 90.85(7) . 2_556 ?
Pb3 O2 Pb2 115.9(2) 2_545 2_545 ?
P1 O2 Pb2 93.6(3) . 2_545 ?
P1 O2 Pb3 138.3(4) . 2_545 ?
Pb2 O7 Pb5 85.84(17) . . ?
Pb2 O7 H7A 101.7 . . ?
Pb2 O7 H7B 113.8 . . ?
Pb5 O7 H7A 121.1 . . ?
Pb5 O7 H7B 125.7 . . ?
H7A O7 H7B 104.4 . . ?
Pb5 O5 Pb4 122.8(2) 2_556 . ?
Pb5 O5 Pb6 114.9(2) 2_556 2_556 ?
Pb6 O5 Pb4 94.9(2) 2_556 . ?
P2 O5 Pb5 96.7(3) . 2_556 ?
P2 O5 Pb4 89.8(3) . . ?
P2 O5 Pb6 138.1(4) . 2_556 ?
Pb2 O8 H8A 115.2 . . ?
Pb2 O8 H8B 130.4 . . ?
Pb5 O8 Pb2 85.60(17) . . ?
Pb5 O8 H8A 114.8 . . ?
Pb5 O8 H8B 104.2 . . ?
H8A O8 H8B 104.5 . . ?
Pb6 O6 Pb5 121.1(3) . 2_556 ?
P2 O6 Pb5 97.6(3) . 2_556 ?
P2 O6 Pb6 137.8(4) . . ?
Pb3 O3 Pb2 120.5(3) . 2_545 ?
P1 O3 Pb2 100.7(3) . 2_545 ?
P1 O3 Pb3 136.8(4) . . ?
Pb2 O1 Pb1 117.9(3) . . ?
P1 O1 Pb2 136.5(4) . . ?
P1 O1 Pb1 105.4(3) . . ?
Pb5 O4 Pb4 116.1(3) . . ?
P2 O4 Pb5 138.3(4) . . ?
P2 O4 Pb4 105.5(3) . . ?

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
Pb2 P1 O2 Pb3 -136.9(6) 2_545 . . 2_545 ?
Pb2 P1 O3 Pb3 -163.2(7) 2_545 . . . ?
Pb2 P1 O1 Pb2 119.5(4) 2_545 . . . ?
Pb2 P1 O1 Pb1 -66.3(4) 2_545 . . . ?
Pb5 P2 O5 Pb4 -123.0(3) 2_556 . . . ?
Pb5 P2 O5 Pb6 139.9(6) 2_556 . . 2_556 ?
Pb5 P2 O6 Pb6 157.2(7) 2_556 . . . ?
Pb5 P2 O4 Pb5 -119.1(5) 2_556 . . . ?
Pb5 P2 O4 Pb4 64.6(4) 2_556 . . . ?
O2 P1 O3 Pb2 -2.1(4) . . . 2_545 ?
O2 P1 O3 Pb3 -165.4(5) . . . . ?
O2 P1 O1 Pb2 -177.5(5) . . . . ?
O2 P1 O1 Pb1 -3.3(5) . . . . ?
O5 P2 O6 Pb5 5.1(4) . . . 2_556 ?
O5 P2 O6 Pb6 162.3(5) . . . . ?
O5 P2 O4 Pb5 -178.4(5) . . . . ?
O5 P2 O4 Pb4 5.3(5) . . . . ?
O6 P2 O5 Pb5 -5.1(4) . . . 2_556 ?
O6 P2 O5 Pb4 -128.1(3) . . . . ?
O6 P2 O5 Pb6 134.9(5) . . . 2_556 ?
O6 P2 O4 Pb5 -58.2(7) . . . . ?
O6 P2 O4 Pb4 125.5(3) . . . . ?
O3 P1 O2 Pb2 2.0(4) . . . 2_545 ?
O3 P1 O2 Pb3 -134.9(5) . . . 2_545 ?
O3 P1 O1 Pb2 62.0(7) . . . . ?
O3 P1 O1 Pb1 -123.8(3) . . . . ?
O1 P1 O2 Pb2 -121.3(3) . . . 2_545 ?
O1 P1 O2 Pb3 101.8(6) . . . 2_545 ?
O1 P1 O3 Pb2 119.1(3) . . . 2_545 ?
O1 P1 O3 Pb3 -44.2(7) . . . . ?
O4 P2 O5 Pb5 118.5(3) . . . 2_556 ?
O4 P2 O5 Pb4 -4.5(4) . . . . ?
O4 P2 O5 Pb6 -101.5(6) . . . 2_556 ?
O4 P2 O6 Pb5 -116.3(3) . . . 2_556 ?
O4 P2 O6 Pb6 40.9(7) . . . . ?

_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
;
