#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:34:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179536 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/05/4500542.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_4500542
loop_
_publ_author_name
'Yang, Guo-Ping'
'Hou, Lei'
'Wang, Yao-Yu'
'Zhang, Ya-Nan'
'Shi, Qi-Zhen'
'Batten, Stuart R.'
_publ_section_title
;
 Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural
 Diversities Built on a Kinked Flexible Dicarboxylate Building Block
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              936
_journal_paper_doi               10.1021/cg101663a
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C20 H22 O11 Pb2'
_chemical_formula_sum            'C20 H22 O11 Pb2'
_chemical_formula_weight         852.76
_chemical_name_systematic
; 
 ? 
;
_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
_cell_angle_alpha                103.408(1)
_cell_angle_beta                 90.242(1)
_cell_angle_gamma                99.456(1)
_cell_formula_units_Z            2
_cell_length_a                   9.1296(8)
_cell_length_b                   10.2260(9)
_cell_length_c                   13.0963(11)
_cell_measurement_reflns_used    1735
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      23.988
_cell_measurement_theta_min      2.304
_cell_volume                     1172.03(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5934
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    14.403
_exptl_absorpt_correction_T_max  0.8576
_exptl_absorpt_correction_T_min  0.1814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.194
_refine_diff_density_min         -1.331
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4089
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0370P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0784
_reflns_number_gt                3035
_reflns_number_total             4089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101663a_si_002.cif
_cod_data_source_block           1b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4500542
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
O11 O 0.4983(9) 0.2065(8) 0.9872(5) 0.082(2) Uani 1 1 d .
H11C H 0.5501 0.2645 1.0327 0.099 Uiso 1 1 d R
Pb1 Pb 0.37734(3) 0.35716(3) 0.86606(2) 0.03460(12) Uani 1 1 d .
Pb2 Pb 0.63519(3) 0.11527(3) 0.63477(2) 0.03522(12) Uani 1 1 d .
O1 O 0.6212(6) 0.5007(6) 0.9309(4) 0.0375(14) Uani 1 1 d .
O2 O 0.6306(6) 0.3251(6) 0.8020(4) 0.0484(17) Uani 1 1 d .
O3 O 1.3847(6) 0.1345(6) 0.7156(4) 0.0462(16) Uani 1 1 d .
O4 O 1.3865(6) -0.0224(6) 0.5716(4) 0.0369(14) Uani 1 1 d .
O5 O 0.3342(8) 0.5920(7) 0.8596(5) 0.0596(19) Uani 1 1 d .
O6 O 0.3845(7) 0.4613(7) 0.7105(5) 0.0570(18) Uani 1 1 d .
O7 O -0.3522(8) 0.9589(8) 0.7544(5) 0.064(2) Uani 1 1 d .
O8 O -0.3096(8) 0.8654(7) 0.5905(6) 0.0620(19) Uani 1 1 d .
O9 O 0.5310(8) 0.3025(7) 0.5528(5) 0.064(2) Uani 1 1 d .
H9C H 0.4889 0.3494 0.5990 0.077 Uiso 1 1 d R
H9D H 0.4670 0.2535 0.5105 0.077 Uiso 1 1 d R
O10 O 0.7055(10) 0.0170(9) 0.9672(6) 0.113(3) Uani 1 1 d .
H10C H 0.6469 0.0708 0.9729 0.135 Uiso 1 1 d R
H10D H 0.6889 -0.0010 0.9035 0.135 Uiso 1 1 d R
H11D H 0.4439 0.1409 0.9997 0.135 Uiso 1 1 d R
C1 C 0.6943(9) 0.4180(8) 0.8728(6) 0.0308(18) Uani 1 1 d .
C2 C 0.8604(8) 0.4382(9) 0.8977(6) 0.041(2) Uani 1 1 d .
H2A H 0.9052 0.5282 0.8905 0.049 Uiso 1 1 calc R
H2B H 0.8759 0.4353 0.9704 0.049 Uiso 1 1 calc R
C3 C 0.9389(9) 0.3338(9) 0.8289(6) 0.036(2) Uani 1 1 d .
C4 C 0.9813(10) 0.3450(9) 0.7306(7) 0.046(2) Uani 1 1 d .
H4 H 0.9631 0.4202 0.7072 0.055 Uiso 1 1 calc R
C5 C 1.0498(10) 0.2492(10) 0.6648(6) 0.045(2) Uani 1 1 d .
H5 H 1.0783 0.2614 0.5991 0.054 Uiso 1 1 calc R
C6 C 1.0759(9) 0.1361(9) 0.6966(7) 0.039(2) Uani 1 1 d .
C7 C 1.0327(10) 0.1242(9) 0.7968(7) 0.047(2) Uani 1 1 d .
H7 H 1.0507 0.0496 0.8212 0.057 Uiso 1 1 calc R
C8 C 0.9645(9) 0.2208(10) 0.8591(7) 0.045(2) Uani 1 1 d .
H8 H 0.9345 0.2089 0.9246 0.054 Uiso 1 1 calc R
C9 C 1.1483(9) 0.0271(10) 0.6250(7) 0.046(2) Uani 1 1 d .
H9A H 1.1070 -0.0611 0.6378 0.055 Uiso 1 1 calc R
H9B H 1.1228 0.0248 0.5526 0.055 Uiso 1 1 calc R
C10 C 1.3151(9) 0.0483(8) 0.6394(6) 0.035(2) Uani 1 1 d .
C11 C 0.3521(9) 0.5714(10) 0.7613(8) 0.047(2) Uani 1 1 d .
C12 C 0.3266(9) 0.6803(10) 0.7068(8) 0.052(3) Uani 1 1 d .
H12A H 0.3562 0.6563 0.6347 0.063 Uiso 1 1 calc R
H12B H 0.3878 0.7660 0.7416 0.063 Uiso 1 1 calc R
C13 C 0.1655(9) 0.6976(9) 0.7076(7) 0.040(2) Uani 1 1 d .
C14 C 0.0739(10) 0.6513(9) 0.6176(7) 0.047(2) Uani 1 1 d .
H14 H 0.1134 0.6129 0.5545 0.056 Uiso 1 1 calc R
C15 C -0.0755(11) 0.6611(9) 0.6199(7) 0.050(2) Uani 1 1 d .
H15 H -0.1342 0.6304 0.5581 0.060 Uiso 1 1 calc R
C16 C -0.1386(10) 0.7151(10) 0.7115(8) 0.047(2) Uani 1 1 d .
C17 C -0.0465(10) 0.7637(10) 0.8031(8) 0.050(2) Uani 1 1 d .
H17 H -0.0872 0.8026 0.8656 0.060 Uiso 1 1 calc R
C18 C 0.1038(10) 0.7552(10) 0.8028(7) 0.047(2) Uani 1 1 d .
H18 H 0.1630 0.7870 0.8644 0.056 Uiso 1 1 calc R
C19 C -0.3018(10) 0.7294(11) 0.7168(9) 0.065(3) Uani 1 1 d .
H19A H -0.3613 0.6508 0.6700 0.078 Uiso 1 1 calc R
H19B H -0.3340 0.7327 0.7877 0.078 Uiso 1 1 calc R
C20 C -0.3249(9) 0.8588(12) 0.6851(10) 0.056(3) 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'
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'
Pb Pb -3.3944 10.1111 '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
Pb1 O11 H11C 104.0 . .
Pb1 O11 H11D 117.4 . .
H11C O11 H11D 122.9 . .
O1 Pb1 O6 89.3(2) . .
O1 Pb1 O2 51.63(17) . .
O6 Pb1 O2 79.2(2) . .
O1 Pb1 O5 77.5(2) . .
O6 Pb1 O5 51.8(2) . .
O2 Pb1 O5 109.4(2) . .
O1 Pb1 O3 116.24(16) . 1_455
O6 Pb1 O3 81.19(19) . 1_455
O2 Pb1 O3 64.67(18) . 1_455
O5 Pb1 O3 131.8(2) . 1_455
O1 Pb1 O1 66.70(19) . 2_667
O6 Pb1 O1 124.55(18) . 2_667
O2 Pb1 O1 113.95(16) . 2_667
O5 Pb1 O1 73.9(2) . 2_667
O3 Pb1 O1 154.16(19) 1_455 2_667
O1 Pb1 O11 76.8(2) . .
O6 Pb1 O11 150.6(2) . .
O2 Pb1 O11 71.8(2) . .
O5 Pb1 O11 144.5(2) . .
O3 Pb1 O11 82.0(2) 1_455 .
O1 Pb1 O11 73.63(19) 2_667 .
O4 Pb2 O7 86.8(2) 1_455 1_645
O4 Pb2 O3 51.21(16) 1_455 1_455
O7 Pb2 O3 82.6(2) 1_645 1_455
O4 Pb2 O8 77.52(19) 1_455 1_645
O7 Pb2 O8 50.9(2) 1_645 1_645
O3 Pb2 O8 113.0(2) 1_455 1_645
O4 Pb2 O4 67.4(2) 1_455 2_756
O7 Pb2 O4 121.2(2) 1_645 2_756
O3 Pb2 O4 112.91(16) 1_455 2_756
O8 Pb2 O4 71.7(2) 1_645 2_756
O4 Pb2 O2 114.65(16) 1_455 .
O7 Pb2 O2 90.2(2) 1_645 .
O3 Pb2 O2 63.66(18) 1_455 .
O8 Pb2 O2 139.8(2) 1_645 .
O4 Pb2 O2 148.30(19) 2_756 .
O4 Pb2 O9 82.7(2) 1_455 .
O7 Pb2 O9 157.5(2) 1_645 .
O3 Pb2 O9 75.3(2) 1_455 .
O8 Pb2 O9 143.7(2) 1_645 .
O4 Pb2 O9 72.57(17) 2_756 .
O2 Pb2 O9 76.32(18) . .
C1 O1 Pb1 93.2(5) . .
C1 O1 Pb1 139.3(5) . 2_667
Pb1 O1 Pb1 113.30(18) . 2_667
C1 O2 Pb1 93.3(4) . .
C1 O2 Pb2 151.2(5) . .
Pb1 O2 Pb2 115.3(2) . .
C10 O3 Pb2 93.0(4) . 1_655
C10 O3 Pb1 146.1(5) . 1_655
Pb2 O3 Pb1 115.6(2) 1_655 1_655
C10 O4 Pb2 95.1(5) . 1_655
C10 O4 Pb2 135.8(5) . 2_756
Pb2 O4 Pb2 112.60(19) 1_655 2_756
C11 O5 Pb1 93.1(5) . .
C11 O6 Pb1 94.2(6) . .
C20 O7 Pb2 96.6(6) . 1_465
C20 O8 Pb2 90.9(6) . 1_465
Pb2 O9 H9C 108.0 . .
Pb2 O9 H9D 100.8 . .
H9C O9 H9D 107.7 . .
H10C O10 H10D 88.1 . .
O2 C1 O1 120.5(7) . .
O2 C1 C2 122.5(6) . .
O1 C1 C2 117.0(7) . .
C3 C2 C1 114.2(7) . .
C3 C2 H2A 108.7 . .
C1 C2 H2A 108.7 . .
C3 C2 H2B 108.7 . .
C1 C2 H2B 108.7 . .
H2A C2 H2B 107.6 . .
C8 C3 C4 116.8(7) . .
C8 C3 C2 121.7(8) . .
C4 C3 C2 121.5(8) . .
C3 C4 C5 122.8(8) . .
C3 C4 H4 118.6 . .
C5 C4 H4 118.6 . .
C6 C5 C4 119.8(8) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 117.5(7) . .
C5 C6 C9 121.2(8) . .
C7 C6 C9 121.3(8) . .
C8 C7 C6 120.8(8) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C3 C8 C7 122.3(8) . .
C3 C8 H8 118.9 . .
C7 C8 H8 118.9 . .
C10 C9 C6 114.3(7) . .
C10 C9 H9A 108.7 . .
C6 C9 H9A 108.7 . .
C10 C9 H9B 108.7 . .
C6 C9 H9B 108.7 . .
H9A C9 H9B 107.6 . .
O3 C10 O4 119.4(7) . .
O3 C10 C9 122.2(7) . .
O4 C10 C9 118.4(7) . .
O6 C11 O5 120.8(9) . .
O6 C11 C12 120.8(9) . .
O5 C11 C12 118.3(9) . .
C11 C12 C13 111.5(8) . .
C11 C12 H12A 109.3 . .
C13 C12 H12A 109.3 . .
C11 C12 H12B 109.3 . .
C13 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
C14 C13 C18 118.8(8) . .
C14 C13 C12 121.3(8) . .
C18 C13 C12 119.8(8) . .
C15 C14 C13 121.1(8) . .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
C16 C15 C14 121.3(9) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C15 C16 C17 118.1(8) . .
C15 C16 C19 122.8(9) . .
C17 C16 C19 119.0(9) . .
C18 C17 C16 121.6(9) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C13 119.0(8) . .
C17 C18 H18 120.5 . .
C13 C18 H18 120.5 . .
C20 C19 C16 110.1(8) . .
C20 C19 H19A 109.6 . .
C16 C19 H19A 109.6 . .
C20 C19 H19B 109.6 . .
C16 C19 H19B 109.6 . .
H19A C19 H19B 108.1 . .
O7 C20 O8 121.6(10) . .
O7 C20 C19 119.4(11) . .
O8 C20 C19 119.0(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O11 Pb1 2.790(7) .
O11 H11C 0.8200 .
O11 H11D 0.8161 .
Pb1 O1 2.483(5) .
Pb1 O6 2.505(6) .
Pb1 O2 2.509(5) .
Pb1 O5 2.516(6) .
Pb1 O3 2.654(5) 1_455
Pb1 O1 2.718(5) 2_667
Pb2 O4 2.493(5) 1_455
Pb2 O7 2.500(7) 1_645
Pb2 O3 2.542(5) 1_455
Pb2 O8 2.619(6) 1_645
Pb2 O4 2.643(5) 2_756
Pb2 O2 2.693(5) .
Pb2 O9 2.695(6) .
O1 C1 1.278(8) .
O1 Pb1 2.718(5) 2_667
O2 C1 1.227(9) .
O3 C10 1.257(9) .
O3 Pb2 2.542(5) 1_655
O3 Pb1 2.654(5) 1_655
O4 C10 1.265(8) .
O4 Pb2 2.493(5) 1_655
O4 Pb2 2.643(5) 2_756
O5 C11 1.272(10) .
O6 C11 1.250(10) .
O7 C20 1.261(12) .
O7 Pb2 2.500(7) 1_465
O8 C20 1.264(11) .
O8 Pb2 2.619(6) 1_465
O9 H9C 0.8200 .
O9 H9D 0.8200 .
O10 H10C 0.8200 .
O10 H10D 0.8200 .
C1 C2 1.519(10) .
C2 C3 1.510(10) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C8 1.359(12) .
C3 C4 1.369(11) .
C4 C5 1.381(11) .
C4 H4 0.9300 .
C5 C6 1.372(12) .
C5 H5 0.9300 .
C6 C7 1.398(11) .
C6 C9 1.523(10) .
C7 C8 1.365(11) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.507(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C11 C12 1.501(13) .
C12 C13 1.510(11) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.384(11) .
C13 C18 1.412(11) .
C14 C15 1.384(12) .
C14 H14 0.9300 .
C15 C16 1.371(12) .
C15 H15 0.9300 .
C16 C17 1.404(12) .
C16 C19 1.522(11) .
C17 C18 1.389(12) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.521(14) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
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
O11 H11D O10 0.82 2.06 2.879(12) 176.0 2_657
O10 H10D O7 0.82 1.92 2.741(10) 179.0 1_645
O10 H10C O11 0.82 2.07 2.894(12) 179.9 .
O9 H9D O8 0.82 1.99 2.809(10) 179.1 2_566
O9 H9C O6 0.82 1.99 2.806(8) 179.2 .
O11 H11C O5 0.82 1.94 2.763(10) 177.1 2_667
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
O6 Pb1 O1 C1 -83.2(5) . .
O2 Pb1 O1 C1 -6.5(4) . .
O5 Pb1 O1 C1 -134.1(5) . .
O3 Pb1 O1 C1 -3.4(5) 1_455 .
O1 Pb1 O1 C1 148.3(6) 2_667 .
O11 Pb1 O1 C1 70.6(5) . .
O6 Pb1 O1 Pb1 128.5(2) . 2_667
O2 Pb1 O1 Pb1 -154.8(3) . 2_667
O5 Pb1 O1 Pb1 77.6(2) . 2_667
O3 Pb1 O1 Pb1 -151.7(2) 1_455 2_667
O1 Pb1 O1 Pb1 0.0 2_667 2_667
O11 Pb1 O1 Pb1 -77.6(2) . 2_667
O1 Pb1 O2 C1 6.8(5) . .
O6 Pb1 O2 C1 104.6(5) . .
O5 Pb1 O2 C1 61.9(5) . .
O3 Pb1 O2 C1 -170.1(6) 1_455 .
O1 Pb1 O2 C1 -18.5(6) 2_667 .
O11 Pb1 O2 C1 -80.5(5) . .
O1 Pb1 O2 Pb2 -176.4(4) . .
O6 Pb1 O2 Pb2 -78.6(3) . .
O5 Pb1 O2 Pb2 -121.3(3) . .
O3 Pb1 O2 Pb2 6.7(2) 1_455 .
O1 Pb1 O2 Pb2 158.2(2) 2_667 .
O11 Pb1 O2 Pb2 96.3(3) . .
O4 Pb2 O2 C1 171.2(12) 1_455 .
O7 Pb2 O2 C1 84.6(12) 1_645 .
O3 Pb2 O2 C1 166.2(13) 1_455 .
O8 Pb2 O2 C1 71.1(13) 1_645 .
O4 Pb2 O2 C1 -102.3(12) 2_756 .
O9 Pb2 O2 C1 -113.6(12) . .
O4 Pb2 O2 Pb1 -2.1(3) 1_455 .
O7 Pb2 O2 Pb1 -88.7(3) 1_645 .
O3 Pb2 O2 Pb1 -7.0(2) 1_455 .
O8 Pb2 O2 Pb1 -102.1(3) 1_645 .
O4 Pb2 O2 Pb1 84.4(4) 2_756 .
O9 Pb2 O2 Pb1 73.1(3) . .
O1 Pb1 O5 C11 100.2(5) . .
O6 Pb1 O5 C11 1.1(5) . .
O2 Pb1 O5 C11 59.0(5) . .
O3 Pb1 O5 C11 -13.9(6) 1_455 .
O1 Pb1 O5 C11 169.3(6) 2_667 .
O11 Pb1 O5 C11 144.7(5) . .
O1 Pb1 O6 C11 -75.7(5) . .
O2 Pb1 O6 C11 -126.7(6) . .
O5 Pb1 O6 C11 -1.1(5) . .
O3 Pb1 O6 C11 167.6(6) 1_455 .
O1 Pb1 O6 C11 -15.0(6) 2_667 .
O11 Pb1 O6 C11 -136.6(6) . .
Pb1 O2 C1 O1 -12.1(8) . .
Pb2 O2 C1 O1 174.0(8) . .
Pb1 O2 C1 C2 166.2(7) . .
Pb2 O2 C1 C2 -7.8(18) . .
Pb1 O1 C1 O2 12.2(8) . .
Pb1 O1 C1 O2 144.5(6) 2_667 .
Pb1 O1 C1 C2 -166.1(7) . .
Pb1 O1 C1 C2 -33.9(12) 2_667 .
O2 C1 C2 C3 -0.6(13) . .
O1 C1 C2 C3 177.7(8) . .
C1 C2 C3 C8 -95.2(11) . .
C1 C2 C3 C4 81.5(11) . .
C8 C3 C4 C5 -1.4(14) . .
C2 C3 C4 C5 -178.3(9) . .
C3 C4 C5 C6 1.1(14) . .
C4 C5 C6 C7 -1.0(13) . .
C4 C5 C6 C9 178.7(8) . .
C5 C6 C7 C8 1.3(14) . .
C9 C6 C7 C8 -178.3(9) . .
C4 C3 C8 C7 1.8(14) . .
C2 C3 C8 C7 178.7(9) . .
C6 C7 C8 C3 -1.8(15) . .
C5 C6 C9 C10 92.0(10) . .
C7 C6 C9 C10 -88.4(10) . .
Pb2 O3 C10 O4 11.3(8) 1_655 .
Pb1 O3 C10 O4 159.9(6) 1_655 .
Pb2 O3 C10 C9 -168.0(8) 1_655 .
Pb1 O3 C10 C9 -19.4(16) 1_655 .
Pb2 O4 C10 O3 -11.5(8) 1_655 .
Pb2 O4 C10 O3 -141.7(6) 2_756 .
Pb2 O4 C10 C9 167.8(7) 1_655 .
Pb2 O4 C10 C9 37.6(12) 2_756 .
C6 C9 C10 O3 11.6(13) . .
C6 C9 C10 O4 -167.7(8) . .
Pb1 O6 C11 O5 2.0(9) . .
Pb1 O6 C11 C12 -175.2(7) . .
Pb1 O5 C11 O6 -2.0(9) . .
Pb1 O5 C11 C12 175.2(7) . .
O6 C11 C12 C13 111.1(10) . .
O5 C11 C12 C13 -66.2(11) . .
C11 C12 C13 C14 -106.5(10) . .
C11 C12 C13 C18 69.9(12) . .
C18 C13 C14 C15 0.2(14) . .
C12 C13 C14 C15 176.6(8) . .
C13 C14 C15 C16 -1.0(15) . .
C14 C15 C16 C17 1.5(14) . .
C14 C15 C16 C19 179.1(9) . .
C15 C16 C17 C18 -1.4(14) . .
C19 C16 C17 C18 -179.1(9) . .
C16 C17 C18 C13 0.7(14) . .
C14 C13 C18 C17 -0.1(14) . .
C12 C13 C18 C17 -176.6(9) . .
C15 C16 C19 C20 -82.9(13) . .
C17 C16 C19 C20 94.7(11) . .
Pb2 O7 C20 O8 1.8(10) 1_465 .
Pb2 O7 C20 C19 178.6(7) 1_465 .
Pb2 O8 C20 O7 -1.7(9) 1_465 .
Pb2 O8 C20 C19 -178.5(7) 1_465 .
C16 C19 C20 O7 -107.6(11) . .
C16 C19 C20 O8 69.2(12) . .
