#------------------------------------------------------------------------------
#$Date: 2025-08-22 18:52:37 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/07/7220732.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7220732
loop_
_publ_author_name
'Zhang, Li'
'Zheng, Jia-Dan'
'Chen, Yi-Ting'
'Zheng, Sheng-Run'
'Fan, Jun'
'Zhang, Wei-Guang'
_publ_section_title
;
 Syntheses, structures, and properties of nine d10or p-block coordination
 polymers based on a ligand containing both terpyridyl and sulfo groups
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5538
_journal_paper_doi               10.1039/C5CE00767D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C21 H17 N3 O8 Pb S2'
_chemical_formula_weight         710.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-28 deposited with the CCDC.
2015-06-09 downloaded from the CCDC.
;
_cell_angle_alpha                100.670(2)
_cell_angle_beta                 101.093(2)
_cell_angle_gamma                97.040(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3520(11)
_cell_length_b                   11.7428(16)
_cell_length_c                   12.3408(16)
_cell_measurement_reflns_used    3894
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.72
_cell_volume                     1151.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5825
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    7.562
_exptl_absorpt_correction_T_max  0.1772
_exptl_absorpt_correction_T_min  0.1519
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.733
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4010
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0322P)²+2.3113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                3731
_reflns_number_total             4010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00767d2.cif
_cod_data_source_block           Pb1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7220726--7220734.cif.
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7220732
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pb1 Pb 0.75895(2) 1.189096(17) 0.402349(16) 0.03106(8) Uani 1 1 d .
C1 C 0.0602(9) 0.3006(6) -0.3504(5) 0.0570(18) Uani 1 1 d .
H1A H 0.0919 0.2293 -0.3770 0.068 Uiso 1 1 calc R
C2 C 0.1341(8) 0.3603(5) -0.2421(5) 0.0416(14) Uani 1 1 d .
H2A H 0.2141 0.3297 -0.1978 0.050 Uiso 1 1 calc R
C3 C 0.0893(6) 0.4652(4) -0.1996(4) 0.0281(11) Uani 1 1 d .
C4 C -0.0255(7) 0.5077(5) -0.2717(5) 0.0386(13) Uani 1 1 d .
H4A H -0.0565 0.5800 -0.2480 0.046 Uiso 1 1 calc R
C5 C -0.0929(8) 0.4426(6) -0.3777(5) 0.0495(16) Uani 1 1 d .
H5A H -0.1712 0.4722 -0.4242 0.059 Uiso 1 1 calc R
C6 C 0.1634(6) 0.5304(4) -0.0812(4) 0.0268(11) Uani 1 1 d .
C7 C 0.1438(6) 0.6461(4) -0.0422(4) 0.0300(11) Uani 1 1 d .
H7A H 0.0830 0.6855 -0.0901 0.036 Uiso 1 1 calc R
C8 C 0.2160(6) 0.7015(4) 0.0691(4) 0.0263(11) Uani 1 1 d .
C9 C 0.3018(7) 0.6379(4) 0.1365(4) 0.0315(12) Uani 1 1 d .
H9A H 0.3486 0.6715 0.2121 0.038 Uiso 1 1 calc R
C10 C 0.3188(6) 0.5233(4) 0.0916(4) 0.0259(10) Uani 1 1 d .
C11 C 0.4163(6) 0.4539(4) 0.1617(4) 0.0291(11) Uani 1 1 d .
C12 C 0.4459(7) 0.3457(5) 0.1121(5) 0.0383(13) Uani 1 1 d .
H12A H 0.4027 0.3147 0.0355 0.046 Uiso 1 1 calc R
C13 C 0.5407(8) 0.2833(5) 0.1771(5) 0.0430(14) Uani 1 1 d .
H13A H 0.5605 0.2107 0.1423 0.052 Uiso 1 1 calc R
C14 C 0.5739(8) 0.4264(6) 0.3336(5) 0.0492(16) Uani 1 1 d .
H14A H 0.6173 0.4549 0.4106 0.059 Uiso 1 1 calc R
C15 C 0.4822(8) 0.4943(5) 0.2755(5) 0.0434(14) Uani 1 1 d .
H15A H 0.4649 0.5667 0.3126 0.052 Uiso 1 1 calc R
C16 C 0.1926(6) 0.8231(4) 0.1166(4) 0.0282(11) Uani 1 1 d .
C17 C 0.3217(6) 0.9111(4) 0.1831(4) 0.0293(11) Uani 1 1 d .
C18 C 0.2856(7) 1.0174(5) 0.2320(5) 0.0334(12) Uani 1 1 d .
H18A H 0.3713 1.0760 0.2750 0.040 Uiso 1 1 calc R
C19 C 0.1258(7) 1.0386(5) 0.2185(4) 0.0331(12) Uani 1 1 d .
C20 C -0.0013(7) 0.9562(5) 0.1496(5) 0.0391(13) Uani 1 1 d .
H20A H -0.1091 0.9719 0.1370 0.047 Uiso 1 1 calc R
C21 C 0.0338(7) 0.8488(5) 0.0987(5) 0.0364(13) Uani 1 1 d .
H21A H -0.0518 0.7929 0.0514 0.044 Uiso 1 1 calc R
N1 N -0.0535(7) 0.3384(5) -0.4193(4) 0.0521(14) Uani 1 1 d .
N2 N 0.2489(5) 0.4699(4) -0.0157(3) 0.0279(9) Uani 1 1 d .
N3 N 0.6039(6) 0.3224(4) 0.2861(4) 0.0419(12) Uani 1 1 d .
S1 S 0.53670(17) 0.89760(12) 0.21413(12) 0.0346(3) Uani 1 1 d .
S2 S 0.08954(18) 1.16601(12) 0.30675(13) 0.0391(3) Uani 1 1 d .
O1 O 0.5613(6) 0.8476(4) 0.3150(4) 0.0557(12) Uani 1 1 d .
O1W O 0.7304(9) 1.0222(5) 0.5085(6) 0.0868(18) Uani 1 1 d D
H1WA H 0.826(6) 1.004(8) 0.530(9) 0.130 Uiso 1 1 d D
H1WB H 0.674(10) 0.963(6) 0.459(7) 0.130 Uiso 1 1 d D
O2W O 0.5219(6) 1.2485(5) 0.5036(4) 0.0616(13) Uani 1 1 d .
H2WA H 0.4364 1.2664 0.4652 0.092 Uiso 1 1 d R
H2WB H 0.5015 1.2406 0.5670 0.092 Uiso 1 1 d R
O2 O 0.5712(5) 0.8252(4) 0.1186(4) 0.0580(13) Uani 1 1 d .
O3 O 0.6235(5) 1.0181(3) 0.2388(3) 0.0424(10) Uani 1 1 d .
O4 O 0.2380(6) 1.2515(4) 0.3347(5) 0.0643(14) Uani 1 1 d .
O5 O 0.0540(6) 1.1244(4) 0.4058(3) 0.0520(11) Uani 1 1 d .
O6 O -0.0561(5) 1.2038(3) 0.2481(3) 0.0432(10) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O3 Pb1 O1W 79.60(19) . .
O3 Pb1 N3 86.93(15) . 1_565
O1W Pb1 N3 146.04(19) . 1_565
O3 Pb1 N1 168.01(15) . 1_666
O1W Pb1 N1 93.5(2) . 1_666
N3 Pb1 N1 103.95(17) 1_565 1_666
O3 Pb1 O2W 106.02(14) . .
O1W Pb1 O2W 80.38(19) . .
N3 Pb1 O2W 73.59(15) 1_565 .
N1 Pb1 O2W 82.24(17) 1_666 .
O3 Pb1 O5 91.28(13) . 1_655
O1W Pb1 O5 80.66(19) . 1_655
N3 Pb1 O5 131.06(15) 1_565 1_655
N1 Pb1 O5 77.83(15) 1_666 1_655
O2W Pb1 O5 151.45(14) . 1_655
O3 Pb1 O6 75.63(13) . 1_655
O1W Pb1 O6 125.84(18) . 1_655
N3 Pb1 O6 79.46(13) 1_565 1_655
N1 Pb1 O6 101.11(16) 1_666 1_655
O2W Pb1 O6 152.80(14) . 1_655
O5 Pb1 O6 52.99(12) 1_655 1_655
N1 C1 C2 124.0(6) . .
N1 C1 H1A 118.0 . .
C2 C1 H1A 118.0 . .
C3 C2 C1 119.6(5) . .
C3 C2 H2A 120.2 . .
C1 C2 H2A 120.2 . .
C2 C3 C4 117.0(5) . .
C2 C3 C6 121.0(5) . .
C4 C3 C6 122.0(5) . .
C5 C4 C3 119.4(5) . .
C5 C4 H4A 120.3 . .
C3 C4 H4A 120.3 . .
N1 C5 C4 124.2(6) . .
N1 C5 H5A 117.9 . .
C4 C5 H5A 117.9 . .
N2 C6 C7 122.7(4) . .
N2 C6 C3 115.1(4) . .
C7 C6 C3 122.1(4) . .
C8 C7 C6 119.2(5) . .
C8 C7 H7A 120.4 . .
C6 C7 H7A 120.4 . .
C9 C8 C7 117.7(4) . .
C9 C8 C16 120.8(4) . .
C7 C8 C16 121.4(4) . .
C8 C9 C10 120.1(5) . .
C8 C9 H9A 119.9 . .
C10 C9 H9A 119.9 . .
N2 C10 C9 122.0(5) . .
N2 C10 C11 116.8(4) . .
C9 C10 C11 121.2(4) . .
C15 C11 C12 117.4(5) . .
C15 C11 C10 122.7(5) . .
C12 C11 C10 119.9(5) . .
C11 C12 C13 119.5(5) . .
C11 C12 H12A 120.2 . .
C13 C12 H12A 120.2 . .
N3 C13 C12 122.8(5) . .
N3 C13 H13A 118.6 . .
C12 C13 H13A 118.6 . .
N3 C14 C15 123.6(6) . .
N3 C14 H14A 118.2 . .
C15 C14 H14A 118.2 . .
C14 C15 C11 119.2(5) . .
C14 C15 H15A 120.4 . .
C11 C15 H15A 120.4 . .
C21 C16 C17 118.3(5) . .
C21 C16 C8 118.0(5) . .
C17 C16 C8 123.7(5) . .
C18 C17 C16 119.4(5) . .
C18 C17 S1 115.0(4) . .
C16 C17 S1 125.6(4) . .
C19 C18 C17 121.3(5) . .
C19 C18 H18A 119.4 . .
C17 C18 H18A 119.4 . .
C18 C19 C20 120.3(5) . .
C18 C19 S2 117.2(4) . .
C20 C19 S2 122.0(4) . .
C19 C20 C21 118.8(5) . .
C19 C20 H20A 120.6 . .
C21 C20 H20A 120.6 . .
C16 C21 C20 121.7(5) . .
C16 C21 H21A 119.1 . .
C20 C21 H21A 119.2 . .
C1 N1 C5 115.7(5) . .
C1 N1 Pb1 119.3(4) . 1_444
C5 N1 Pb1 122.8(4) . 1_444
C6 N2 C10 118.2(4) . .
C13 N3 C14 117.3(5) . .
C13 N3 Pb1 119.8(4) . 1_545
C14 N3 Pb1 122.6(4) . 1_545
O2 S1 O3 113.4(3) . .
O2 S1 O1 113.3(3) . .
O3 S1 O1 111.0(3) . .
O2 S1 C17 108.4(3) . .
O3 S1 C17 104.3(2) . .
O1 S1 C17 105.5(3) . .
O4 S2 O6 114.6(3) . .
O4 S2 O5 112.1(3) . .
O6 S2 O5 109.7(3) . .
O4 S2 C19 107.7(3) . .
O6 S2 C19 108.2(3) . .
O5 S2 C19 103.8(3) . .
Pb1 O1W H1WA 109(8) . .
Pb1 O1W H1WB 105(8) . .
H1WA O1W H1WB 106(3) . .
Pb1 O2W H2WA 118.9 . .
Pb1 O2W H2WB 132.0 . .
H2WA O2W H2WB 107.7 . .
S1 O3 Pb1 141.8(3) . .
S2 O5 Pb1 98.7(2) . 1_455
S2 O6 Pb1 97.8(2) . 1_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O3 2.539(4) .
Pb1 O1W 2.564(6) .
Pb1 N3 2.608(5) 1_565
Pb1 N1 2.635(5) 1_666
Pb1 O2W 2.634(5) .
Pb1 O5 2.661(4) 1_655
Pb1 O6 2.689(4) 1_655
C1 N1 1.324(8) .
C1 C2 1.375(8) .
C1 H1A 0.9300 .
C2 C3 1.372(7) .
C2 H2A 0.9300 .
C3 C4 1.383(7) .
C3 C6 1.493(7) .
C4 C5 1.361(8) .
C4 H4A 0.9300 .
C5 N1 1.341(8) .
C5 H5A 0.9300 .
C6 N2 1.335(6) .
C6 C7 1.395(7) .
C7 C8 1.388(7) .
C7 H7A 0.9300 .
C8 C9 1.377(7) .
C8 C16 1.491(7) .
C9 C10 1.392(7) .
C9 H9A 0.9300 .
C10 N2 1.339(6) .
C10 C11 1.493(7) .
C11 C15 1.375(7) .
C11 C12 1.378(7) .
C12 C13 1.387(8) .
C12 H12A 0.9300 .
C13 N3 1.318(7) .
C13 H13A 0.9300 .
C14 N3 1.329(8) .
C14 C15 1.373(8) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 C21 1.381(8) .
C16 C17 1.406(7) .
C17 C18 1.377(7) .
C17 S1 1.796(5) .
C18 C19 1.373(7) .
C18 H18A 0.9300 .
C19 C20 1.372(8) .
C19 S2 1.775(5) .
C20 C21 1.393(8) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
N1 Pb1 2.635(5) 1_444
N3 Pb1 2.608(5) 1_545
S1 O2 1.420(4) .
S1 O3 1.458(4) .
S1 O1 1.462(5) .
S2 O4 1.438(5) .
S2 O6 1.454(4) .
S2 O5 1.465(5) .
O1W H1WA 0.85(2) .
O1W H1WB 0.86(2) .
O2W H2WA 0.8501 .
O2W H2WB 0.8499 .
O5 Pb1 2.661(4) 1_455
O6 Pb1 2.689(4) 1_455
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_4
N1 C1 C2 C3 0.6(11) . .
C1 C2 C3 C4 -2.5(9) . .
C1 C2 C3 C6 178.1(6) . .
C2 C3 C4 C5 2.7(9) . .
C6 C3 C4 C5 -177.9(5) . .
C3 C4 C5 N1 -1.1(10) . .
C2 C3 C6 N2 -12.1(7) . .
C4 C3 C6 N2 168.6(5) . .
C2 C3 C6 C7 168.1(5) . .
C4 C3 C6 C7 -11.2(8) . .
N2 C6 C7 C8 0.2(8) . .
C3 C6 C7 C8 180.0(5) . .
C6 C7 C8 C9 -1.2(7) . .
C6 C7 C8 C16 -177.2(5) . .
C7 C8 C9 C10 2.2(8) . .
C16 C8 C9 C10 178.2(5) . .
C8 C9 C10 N2 -2.3(8) . .
C8 C9 C10 C11 177.8(5) . .
N2 C10 C11 C15 -174.2(5) . .
C9 C10 C11 C15 5.7(8) . .
N2 C10 C11 C12 7.1(7) . .
C9 C10 C11 C12 -173.0(5) . .
C15 C11 C12 C13 -0.7(8) . .
C10 C11 C12 C13 178.1(5) . .
C11 C12 C13 N3 0.6(9) . .
N3 C14 C15 C11 0.2(10) . .
C12 C11 C15 C14 0.3(9) . .
C10 C11 C15 C14 -178.4(6) . .
C9 C8 C16 C21 -127.9(6) . .
C7 C8 C16 C21 48.0(7) . .
C9 C8 C16 C17 49.0(7) . .
C7 C8 C16 C17 -135.1(5) . .
C21 C16 C17 C18 2.8(8) . .
C8 C16 C17 C18 -174.0(5) . .
C21 C16 C17 S1 -178.4(4) . .
C8 C16 C17 S1 4.8(7) . .
C16 C17 C18 C19 1.0(8) . .
S1 C17 C18 C19 -177.9(4) . .
C17 C18 C19 C20 -4.2(9) . .
C17 C18 C19 S2 167.8(4) . .
C18 C19 C20 C21 3.4(9) . .
S2 C19 C20 C21 -168.3(4) . .
C17 C16 C21 C20 -3.6(8) . .
C8 C16 C21 C20 173.4(5) . .
C19 C20 C21 C16 0.5(9) . .
C2 C1 N1 C5 1.1(11) . .
C2 C1 N1 Pb1 -162.4(6) . 1_444
C4 C5 N1 C1 -0.9(11) . .
C4 C5 N1 Pb1 162.0(5) . 1_444
C7 C6 N2 C10 -0.3(7) . .
C3 C6 N2 C10 179.9(4) . .
C9 C10 N2 C6 1.3(7) . .
C11 C10 N2 C6 -178.8(4) . .
C12 C13 N3 C14 -0.1(9) . .
C12 C13 N3 Pb1 174.9(5) . 1_545
C15 C14 N3 C13 -0.3(10) . .
C15 C14 N3 Pb1 -175.1(5) . 1_545
C18 C17 S1 O2 -146.8(4) . .
C16 C17 S1 O2 34.3(5) . .
C18 C17 S1 O3 -25.7(5) . .
C16 C17 S1 O3 155.5(5) . .
C18 C17 S1 O1 91.4(5) . .
C16 C17 S1 O1 -87.4(5) . .
C18 C19 S2 O4 28.6(5) . .
C20 C19 S2 O4 -159.5(5) . .
C18 C19 S2 O6 153.0(4) . .
C20 C19 S2 O6 -35.1(6) . .
C18 C19 S2 O5 -90.4(5) . .
C20 C19 S2 O5 81.4(5) . .
O2 S1 O3 Pb1 -145.6(4) . .
O1 S1 O3 Pb1 -16.6(5) . .
C17 S1 O3 Pb1 96.7(4) . .
O1W Pb1 O3 S1 14.0(4) . .
N3 Pb1 O3 S1 -134.7(4) 1_565 .
N1 Pb1 O3 S1 69.8(9) 1_666 .
O2W Pb1 O3 S1 -62.7(4) . .
O5 Pb1 O3 S1 94.3(4) 1_655 .
O6 Pb1 O3 S1 145.4(4) 1_655 .
O4 S2 O5 Pb1 120.3(2) . 1_455
O6 S2 O5 Pb1 -8.2(3) . 1_455
C19 S2 O5 Pb1 -123.7(2) . 1_455
O4 S2 O6 Pb1 -119.1(3) . 1_455
O5 S2 O6 Pb1 8.1(3) . 1_455
C19 S2 O6 Pb1 120.8(2) . 1_455
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139200410
