#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:30:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179064 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/26/4302624.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_4302624
loop_
_publ_author_name
'Lei Zhang'
'Zhao-Ji Li'
'Qi-Pu Lin'
'Ye-Yan Qin'
'Jian Zhang'
'Pei-Xiu Yin'
'Jian-Kai Cheng'
'Yuan-Gen Yao'
_publ_contact_author_email       yyg@fjirsm.ac.cn
_publ_contact_author_fax         86-591-83714946
_publ_contact_author_name        'Yuan-Gen Yao'
_publ_contact_author_phone       86-591-83711523
_publ_section_title
;
Synthesis, Structure, and Luminescent Properties of Hybrid
Inorganic-Organic Framework Materials Formed by Lead Aromatic
Carboxylates: Inorganic Connectivity Variation from 0D to 3D
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6517
_journal_page_last               6525
_journal_paper_doi               10.1021/ic900425r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C160 H80 O90 Pb20'
_chemical_formula_weight         7586.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   27.2552(11)
_cell_length_b                   20.1771(7)
_cell_length_c                   15.3894(5)
_cell_measurement_reflns_used    16099
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4719
_cell_measurement_theta_min      2.0185
_cell_volume                     8463.1(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0923
_diffrn_reflns_av_sigmaI/netI    0.0618
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            64725
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.60
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    19.917
_exptl_absorpt_correction_T_max  0.136
_exptl_absorpt_correction_T_min  0.083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.977
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             6798
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1100
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         2.922
_refine_diff_density_min         -2.995
_refine_diff_density_rms         0.299
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         9965
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0690P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1358
_reflns_number_gt                7915
_reflns_number_total             9965
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900425r_si_001_1.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4302624
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.273677(17) 0.00734(2) 0.43722(3) 0.02542(11) Uani 1 1 d . . .
Pb2 Pb 0.299589(17) -0.00746(2) 0.69321(3) 0.02537(11) Uani 1 1 d . . .
Pb3 Pb 0.423243(17) 0.01209(2) 0.53936(3) 0.03071(12) Uani 1 1 d . . .
Pb4 Pb 0.375109(17) 0.14828(2) 0.33964(3) 0.02972(12) Uani 1 1 d . . .
Pb5 Pb 0.185897(19) -0.13087(2) 0.57409(3) 0.03401(13) Uani 1 1 d . . .
O8 O 0.3379(4) 0.0727(4) 0.5745(6) 0.042(2) Uani 1 1 d . . .
O18 O 0.3022(3) 0.1290(4) 0.2476(5) 0.0274(18) Uani 1 1 d . . .
O7 O 0.3065(3) 0.1284(4) 0.4638(6) 0.034(2) Uani 1 1 d . . .
O14 O 0.3650(3) 0.0237(4) 0.3755(5) 0.0335(19) Uani 1 1 d . . .
O12 O 0.2413(3) -0.1252(4) 0.4407(5) 0.037(2) Uani 1 1 d . . .
O19 O 0.3920(5) 0.2500 0.2396(8) 0.038(3) Uani 1 2 d S . .
O11 O 0.2482(4) -0.0731(4) 0.3161(6) 0.041(2) Uani 1 1 d . . .
O16 O 0.2871(3) 0.0167(4) 0.0824(6) 0.0330(19) Uani 1 1 d . . .
O20 O 0.3495(4) 0.2500 0.1161(9) 0.039(3) Uani 1 2 d S . .
O10 O 0.4320(3) 0.1248(4) 0.4687(6) 0.0331(19) Uani 1 1 d . . .
O6 O 0.2863(3) -0.1251(4) 0.6298(6) 0.0352(19) Uani 1 1 d U . .
O2W O 0.1305(4) -0.1069(7) 0.4420(7) 0.070(3) Uani 1 1 d . . .
O2 O 0.3539(4) 0.0068(5) 0.8237(6) 0.048(3) Uani 1 1 d . . .
O4 O 0.6027(4) -0.1050(5) 0.8537(8) 0.058(3) Uani 1 1 d . . .
O13 O 0.4301(3) -0.0391(5) 0.3948(6) 0.040(2) Uani 1 1 d . . .
O9 O 0.5036(4) 0.0744(4) 0.4579(6) 0.043(2) Uani 1 1 d . . .
O1 O 0.3868(4) -0.0436(5) 0.7104(6) 0.048(3) Uani 1 1 d . . .
O3 O 0.5629(4) -0.0964(5) 0.7299(6) 0.054(3) Uani 1 1 d . . .
O3W O 0.4730(5) 0.0838(7) 0.6613(8) 0.081(4) Uani 1 1 d . . .
O15 O 0.2983(4) -0.0705(6) 0.0003(6) 0.062(3) Uani 1 1 d . . .
O5 O 0.3358(3) -0.0721(4) 0.5409(5) 0.0319(18) Uani 1 1 d U . .
C10 C 0.3673(5) -0.1906(6) 0.4635(8) 0.034(2) Uani 1 1 d U . .
H10 H 0.3787 -0.1508 0.4408 0.040 Uiso 1 1 calc R . .
C48 C 0.3899(8) 0.2500 0.1561(12) 0.038(4) Uani 1 2 d S . .
C25 C 0.2621(5) -0.1917(6) 0.2257(8) 0.032(3) Uani 1 1 d . . .
H25 H 0.2657 -0.1520 0.1957 0.039 Uiso 1 1 calc R . .
C13 C 0.3179(4) -0.1244(5) 0.5708(7) 0.0252(19) Uani 1 1 d U . .
C46 C 0.5236(8) 0.2500 0.0988(13) 0.049(3) Uani 1 2 d SDU . .
H46 H 0.5537 0.2500 0.1271 0.059 Uiso 1 2 calc SR . .
C47 C 0.4812(7) 0.2500 0.1471(12) 0.043(3) Uani 1 2 d SDU . .
H47 H 0.4827 0.2500 0.2075 0.052 Uiso 1 2 calc SR . .
C41 C 0.2612(5) 0.1261(5) 0.2878(7) 0.027(2) Uani 1 1 d . . .
C17 C 0.3283(6) 0.2500 0.5400(11) 0.027(3) Uani 1 2 d S . .
H17 H 0.3138 0.2500 0.4853 0.033 Uiso 1 2 calc SR . .
C9 C 0.3343(4) -0.1905(5) 0.5323(7) 0.0241(19) Uani 1 1 d U . .
C14 C 0.3396(5) 0.1910(6) 0.5826(8) 0.031(3) Uani 1 1 d . . .
C24 C 0.2503(4) -0.1897(5) 0.3135(7) 0.023(2) Uani 1 1 d . . .
C37 C 0.2364(4) 0.1894(5) 0.3124(7) 0.022(2) Uani 1 1 d . . .
C26 C 0.2687(7) -0.2500 0.1817(12) 0.039(5) Uani 1 2 d S . .
H26 H 0.2775 -0.2500 0.1233 0.047 Uiso 1 2 calc SR . .
C12 C 0.3179(6) -0.2500 0.5669(9) 0.022(3) Uani 1 2 d SU . .
H12 H 0.2960 -0.2500 0.6132 0.026 Uiso 1 2 calc SR . .
C40 C 0.2580(5) 0.2500 0.2870(10) 0.022(3) Uani 1 2 d S . .
H40 H 0.2864 0.2500 0.2535 0.027 Uiso 1 2 calc SR . .
C35 C 0.3935(5) -0.0207(5) 0.3506(7) 0.027(2) Uani 1 1 d . . .
C34 C 0.4085(4) -0.1168(6) 0.2500(7) 0.030(3) Uani 1 1 d . . .
H34 H 0.4309 -0.1340 0.2895 0.036 Uiso 1 1 calc R . .
C15 C 0.3618(5) 0.1908(6) 0.6641(9) 0.044(3) Uani 1 1 d . . .
H15 H 0.3684 0.1508 0.6918 0.052 Uiso 1 1 calc R . .
C33 C 0.3994(5) -0.1503(6) 0.1727(8) 0.038(3) Uani 1 1 d . . .
H33 H 0.4155 -0.1899 0.1609 0.046 Uiso 1 1 calc R . .
C16 C 0.3740(8) 0.2500 0.7039(12) 0.047(5) Uani 1 2 d S . .
H16 H 0.3902 0.2500 0.7570 0.057 Uiso 1 2 calc SR . .
C38 C 0.1943(5) 0.1903(6) 0.3599(8) 0.036(3) Uani 1 1 d . . .
H38 H 0.1802 0.1506 0.3779 0.044 Uiso 1 1 calc R . .
C23 C 0.4779(5) 0.1256(6) 0.4504(7) 0.029(3) Uani 1 1 d . . .
C11 C 0.3831(8) -0.2500 0.4288(12) 0.039(4) Uani 1 2 d SU . .
H11 H 0.4045 -0.2500 0.3818 0.047 Uiso 1 2 calc SR . .
C18 C 0.3268(5) 0.1276(5) 0.5364(9) 0.032(3) Uani 1 1 d . . .
C19 C 0.4998(4) 0.1898(5) 0.4220(8) 0.029(3) Uani 1 1 d . . .
C28 C 0.2461(4) -0.1246(5) 0.3594(8) 0.027(2) Uani 1 1 d . . .
C8 C 0.5646(5) -0.0940(7) 0.8124(9) 0.041(3) Uani 1 1 d . . .
C32 C 0.3665(5) -0.1247(6) 0.1138(8) 0.038(3) Uani 1 1 d . . .
H32 H 0.3604 -0.1470 0.0620 0.046 Uiso 1 1 calc R . .
C4 C 0.5113(5) -0.0814(7) 0.9437(8) 0.040(3) Uani 1 1 d . . .
H4 H 0.5383 -0.0922 0.9779 0.049 Uiso 1 1 calc R . .
C45 C 0.5225(8) 0.2500 0.0095(13) 0.056(4) Uani 1 2 d SDU . .
H45 H 0.5518 0.2500 -0.0213 0.067 Uiso 1 2 calc SR . .
C5 C 0.5164(5) -0.0777(6) 0.8537(8) 0.032(3) Uani 1 1 d . . .
C7 C 0.3895(5) -0.0262(6) 0.7871(8) 0.035(3) Uani 1 1 d . . .
C6 C 0.4764(5) -0.0607(6) 0.8026(7) 0.033(3) Uani 1 1 d . . .
H6 H 0.4793 -0.0599 0.7424 0.040 Uiso 1 1 calc R . .
C29 C 0.3843(4) -0.0580(6) 0.2689(7) 0.028(2) Uani 1 1 d . . .
C36 C 0.3065(4) -0.0404(7) 0.0650(7) 0.032(3) Uani 1 1 d . . .
C31 C 0.3426(4) -0.0665(5) 0.1311(7) 0.025(2) Uani 1 1 d . . .
C39 C 0.1721(7) 0.2500 0.3816(13) 0.045(5) Uani 1 2 d S . .
H39 H 0.1423 0.2500 0.4110 0.054 Uiso 1 2 calc SR . .
C1 C 0.4319(5) -0.0450(6) 0.8420(8) 0.032(3) Uani 1 1 d . . .
C20 C 0.5425(5) 0.1909(6) 0.3733(8) 0.038(3) Uani 1 1 d . . .
H20 H 0.5578 0.1512 0.3587 0.045 Uiso 1 1 calc R . .
C30 C 0.3514(4) -0.0330(5) 0.2091(7) 0.023(2) Uani 1 1 d . . .
H30 H 0.3349 0.0064 0.2208 0.027 Uiso 1 1 calc R . .
C21 C 0.5624(7) 0.2500 0.3464(12) 0.036(4) Uani 1 2 d S . .
H21 H 0.5895 0.2500 0.3096 0.043 Uiso 1 2 calc SR . .
C44 C 0.4754(9) 0.2500 -0.0380(13) 0.065(4) Uani 1 2 d SDU . .
C2 C 0.4265(5) -0.0515(8) 0.9317(9) 0.047(4) Uani 1 1 d . . .
H2 H 0.3963 -0.0439 0.9578 0.056 Uiso 1 1 calc R . .
C3 C 0.4670(6) -0.0695(8) 0.9821(8) 0.049(4) Uani 1 1 d . . .
H3 H 0.4638 -0.0733 1.0420 0.058 Uiso 1 1 calc R . .
C27 C 0.2446(5) -0.2500 0.3573(9) 0.021(3) Uani 1 2 d S . .
H27 H 0.2370 -0.2500 0.4162 0.025 Uiso 1 2 calc SR . .
C22 C 0.4780(7) 0.2500 0.4444(9) 0.031(4) Uani 1 2 d S . .
H22 H 0.4484 0.2500 0.4746 0.037 Uiso 1 2 calc SR . .
O1W O 0.0057(9) 0.7168(12) 0.1568(14) 0.078(8) Uani 0.50 1 d P . .
O17 O 0.2404(3) 0.0734(4) 0.3102(5) 0.0297(19) Uani 1 1 d . . .
O22 O 0.5000(5) 0.2500 -0.1764(8) 0.049(4) Uani 1 2 d SD . .
C42 C 0.4371(7) 0.2500 0.1062(12) 0.042(3) Uani 1 2 d SDU . .
C49 C 0.4735(10) 0.2112(11) -0.1300(12) 0.060(5) Uani 0.50 1 d PDU . .
C43 C 0.4353(8) 0.2500 0.0179(13) 0.059(4) Uani 1 2 d SDU . .
H43 H 0.4043 0.2500 -0.0075 0.070 Uiso 1 2 calc SR . .
O21 O 0.4510(8) 0.1578(11) -0.1517(10) 0.071(6) Uani 0.50 1 d PDU . .
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
_geom_angle_publ_flag
O15 Pb1 O17 75.8(3) 2 . ?
O15 Pb1 O11 112.8(4) 2 . ?
O17 Pb1 O11 71.1(3) . . ?
O15 Pb1 O7 74.7(4) 2 . ?
O17 Pb1 O7 75.7(3) . . ?
O11 Pb1 O7 142.3(3) . . ?
O15 Pb1 O14 142.4(3) 2 . ?
O17 Pb1 O14 89.7(3) . . ?
O11 Pb1 O14 94.1(3) . . ?
O7 Pb1 O14 68.0(3) . . ?
O15 Pb1 O12 103.2(3) 2 . ?
O17 Pb1 O12 113.7(2) . . ?
O11 Pb1 O12 47.8(2) . . ?
O7 Pb1 O12 169.8(3) . . ?
O14 Pb1 O12 114.5(3) . . ?
O15 Pb1 O16 47.8(3) 2 2 ?
O17 Pb1 O16 119.4(3) . 2 ?
O11 Pb1 O16 107.9(3) . 2 ?
O7 Pb1 O16 103.6(3) . 2 ?
O14 Pb1 O16 147.7(3) . 2 ?
O12 Pb1 O16 68.8(2) . 2 ?
O15 Pb1 O5 122.2(3) 2 . ?
O17 Pb1 O5 161.5(3) . . ?
O11 Pb1 O5 102.3(2) . . ?
O7 Pb1 O5 103.6(2) . . ?
O14 Pb1 O5 73.4(2) . . ?
O12 Pb1 O5 68.8(2) . . ?
O16 Pb1 O5 78.9(2) 2 . ?
O15 Pb1 C36 22.6(3) 2 2 ?
O17 Pb1 C36 97.3(3) . 2 ?
O11 Pb1 C36 114.7(3) . 2 ?
O7 Pb1 C36 86.5(3) . 2 ?
O14 Pb1 C36 151.1(3) . 2 ?
O12 Pb1 C36 88.3(3) . 2 ?
O16 Pb1 C36 25.4(3) 2 2 ?
O5 Pb1 C36 101.1(3) . 2 ?
O15 Pb1 C28 113.8(4) 2 . ?
O17 Pb1 C28 94.0(3) . . ?
O11 Pb1 C28 23.9(3) . . ?
O7 Pb1 C28 165.0(3) . . ?
O14 Pb1 C28 101.5(3) . . ?
O12 Pb1 C28 24.6(3) . . ?
O16 Pb1 C28 90.9(3) 2 . ?
O5 Pb1 C28 82.7(3) . . ?
C36 Pb1 C28 105.9(3) 2 . ?
O15 Pb1 O8 87.8(3) 2 . ?
O17 Pb1 O8 120.9(2) . . ?
O11 Pb1 O8 159.0(3) . . ?
O7 Pb1 O8 45.2(2) . . ?
O14 Pb1 O8 70.1(2) . . ?
O12 Pb1 O8 125.3(2) . . ?
O16 Pb1 O8 82.1(2) 2 . ?
O5 Pb1 O8 60.6(2) . . ?
C36 Pb1 O8 82.4(3) 2 . ?
C28 Pb1 O8 143.3(3) . . ?
O15 Pb1 Pb2 78.3(2) 2 . ?
O17 Pb1 Pb2 149.24(18) . . ?
O11 Pb1 Pb2 135.50(18) . . ?
O7 Pb1 Pb2 81.77(19) . . ?
O14 Pb1 Pb2 101.16(18) . . ?
O12 Pb1 Pb2 88.05(17) . . ?
O16 Pb1 Pb2 46.66(19) 2 . ?
O5 Pb1 Pb2 45.42(16) . . ?
C36 Pb1 Pb2 60.2(2) 2 . ?
C28 Pb1 Pb2 111.6(2) . . ?
O8 Pb1 Pb2 41.39(15) . . ?
O17 Pb2 O1 100.6(3) 2 . ?
O17 Pb2 O2 75.0(3) 2 . ?
O1 Pb2 O2 52.3(3) . . ?
O17 Pb2 O6 73.8(2) 2 . ?
O1 Pb2 O6 84.5(3) . . ?
O2 Pb2 O6 119.2(3) . . ?
O17 Pb2 O8 174.6(3) 2 . ?
O1 Pb2 O8 82.9(3) . . ?
O2 Pb2 O8 104.4(3) . . ?
O6 Pb2 O8 110.7(3) . . ?
O17 Pb2 O11 67.7(3) 2 2 ?
O1 Pb2 O11 122.5(3) . 2 ?
O2 Pb2 O11 70.7(3) . 2 ?
O6 Pb2 O11 135.9(3) . 2 ?
O8 Pb2 O11 107.0(2) . 2 ?
O17 Pb2 O5 120.0(2) 2 . ?
O1 Pb2 O5 68.0(3) . . ?
O2 Pb2 O5 120.3(3) . . ?
O6 Pb2 O5 47.3(2) . . ?
O8 Pb2 O5 65.0(2) . . ?
O11 Pb2 O5 167.1(2) 2 . ?
O17 Pb2 C7 86.5(3) 2 . ?
O1 Pb2 C7 25.4(3) . . ?
O2 Pb2 C7 27.0(3) . . ?
O6 Pb2 C7 100.8(3) . . ?
O8 Pb2 C7 95.2(3) . . ?
O11 Pb2 C7 97.6(3) 2 . ?
O5 Pb2 C7 93.3(3) . . ?
O17 Pb2 O16 91.9(3) 2 2 ?
O1 Pb2 O16 144.3(3) . 2 ?
O2 Pb2 O16 162.1(3) . 2 ?
O6 Pb2 O16 66.9(3) . 2 ?
O8 Pb2 O16 87.4(3) . 2 ?
O11 Pb2 O16 93.2(3) 2 2 ?
O5 Pb2 O16 76.8(2) . 2 ?
C7 Pb2 O16 167.6(3) . 2 ?
O17 Pb2 C13 96.0(3) 2 . ?
O1 Pb2 C13 71.6(3) . . ?
O2 Pb2 C13 119.0(3) . . ?
O6 Pb2 C13 23.8(3) . . ?
O8 Pb2 C13 89.0(3) . . ?
O11 Pb2 C13 159.2(3) 2 . ?
O5 Pb2 C13 24.1(2) . . ?
C7 Pb2 C13 94.0(3) . . ?
O16 Pb2 C13 73.9(3) 2 . ?
O17 Pb2 Pb1 132.25(18) 2 . ?
O1 Pb2 Pb1 107.0(2) . . ?
O2 Pb2 Pb1 151.6(2) . . ?
O6 Pb2 Pb1 70.98(19) . . ?
O8 Pb2 Pb1 49.3(2) . . ?
O11 Pb2 Pb1 122.37(19) 2 . ?
O5 Pb2 Pb1 44.76(17) . . ?
C7 Pb2 Pb1 130.9(3) . . ?
O16 Pb2 Pb1 44.68(17) 2 . ?
C13 Pb2 Pb1 58.78(19) . . ?
O17 Pb2 Pb3 145.2(2) 2 . ?
O1 Pb2 Pb3 46.7(2) . . ?
O2 Pb2 Pb3 88.1(2) . . ?
O6 Pb2 Pb3 89.17(19) . . ?
O8 Pb2 Pb3 39.4(2) . . ?
O11 Pb2 Pb3 134.95(19) 2 . ?
O5 Pb2 Pb3 44.99(16) . . ?
C7 Pb2 Pb3 66.8(3) . . ?
O16 Pb2 Pb3 109.32(17) 2 . ?
C13 Pb2 Pb3 65.7(2) . . ?
Pb1 Pb2 Pb3 64.821(11) . . ?
O13 Pb3 O10 88.9(3) . . ?
O13 Pb3 O9 71.4(3) . 5_656 ?
O10 Pb3 O9 121.8(3) . 5_656 ?
O13 Pb3 O8 116.1(3) . . ?
O10 Pb3 O8 76.0(3) . . ?
O9 Pb3 O8 161.7(3) 5_656 . ?
O13 Pb3 O3W 143.7(3) . . ?
O10 Pb3 O3W 76.8(3) . . ?
O9 Pb3 O3W 88.0(4) 5_656 . ?
O8 Pb3 O3W 92.9(4) . . ?
O13 Pb3 O9 74.1(3) . . ?
O10 Pb3 O9 48.4(3) . . ?
O9 Pb3 O9 73.5(3) 5_656 . ?
O8 Pb3 O9 124.1(2) . . ?
O3W Pb3 O9 71.5(3) . . ?
O13 Pb3 O5 79.9(3) . . ?
O10 Pb3 O5 127.0(3) . . ?
O9 Pb3 O5 103.3(3) 5_656 . ?
O8 Pb3 O5 63.7(2) . . ?
O3W Pb3 O5 135.0(3) . . ?
O9 Pb3 O5 153.5(3) . . ?
O13 Pb3 O14 46.4(3) . . ?
O10 Pb3 O14 67.5(2) . . ?
O9 Pb3 O14 117.7(3) 5_656 . ?
O8 Pb3 O14 71.0(3) . . ?
O3W Pb3 O14 143.3(3) . . ?
O9 Pb3 O14 90.1(2) . . ?
O5 Pb3 O14 67.7(2) . . ?
O13 Pb3 O1 130.9(3) . . ?
O10 Pb3 O1 137.5(3) . . ?
O9 Pb3 O1 89.4(3) 5_656 . ?
O8 Pb3 O1 73.1(3) . . ?
O3W Pb3 O1 76.3(3) . . ?
O9 Pb3 O1 143.8(3) . . ?
O5 Pb3 O1 60.7(2) . . ?
O14 Pb3 O1 126.0(2) . . ?
O13 Pb3 C23 82.7(3) . . ?
O10 Pb3 C23 24.3(3) . . ?
O9 Pb3 C23 97.7(3) 5_656 . ?
O8 Pb3 C23 99.9(3) . . ?
O3W Pb3 C23 70.6(3) . . ?
O9 Pb3 C23 24.2(3) . . ?
O5 Pb3 C23 146.7(3) . . ?
O14 Pb3 C23 79.8(3) . . ?
O1 Pb3 C23 145.8(3) . . ?
O13 Pb3 C35 22.9(3) . . ?
O10 Pb3 C35 79.2(3) . . ?
O9 Pb3 C35 94.1(3) 5_656 . ?
O8 Pb3 C35 93.4(3) . . ?
O3W Pb3 C35 152.9(3) . . ?
O9 Pb3 C35 83.2(3) . . ?
O5 Pb3 C35 70.7(3) . . ?
O14 Pb3 C35 23.6(3) . . ?
O1 Pb3 C35 130.7(3) . . ?
C23 Pb3 C35 82.4(3) . . ?
O13 Pb3 Pb2 122.6(2) . . ?
O10 Pb3 Pb2 114.1(2) . . ?
O9 Pb3 Pb2 122.8(2) 5_656 . ?
O8 Pb3 Pb2 38.91(17) . . ?
O3W Pb3 Pb2 93.6(3) . . ?
O9 Pb3 Pb2 158.39(18) . . ?
O5 Pb3 Pb2 43.69(16) . . ?
O14 Pb3 Pb2 93.31(16) . . ?
O1 Pb3 Pb2 36.89(19) . . ?
C23 Pb3 Pb2 136.5(2) . . ?
C35 Pb3 Pb2 107.7(2) . . ?
O3 Pb4 O18 104.9(3) 5_656 . ?
O3 Pb4 O10 80.2(3) 5_656 . ?
O18 Pb4 O10 154.3(3) . . ?
O3 Pb4 O14 74.4(3) 5_656 . ?
O18 Pb4 O14 83.3(3) . . ?
O10 Pb4 O14 73.7(3) . . ?
O3 Pb4 O19 87.3(4) 5_656 . ?
O18 Pb4 O19 85.8(3) . . ?
O10 Pb4 O19 119.7(3) . . ?
O14 Pb4 O19 155.4(3) . . ?
O3 Pb4 O7 141.7(3) 5_656 . ?
O18 Pb4 O7 79.9(3) . . ?
O10 Pb4 O7 81.0(3) . . ?
O14 Pb4 O7 68.4(2) . . ?
O19 Pb4 O7 131.0(3) . . ?
O3 Pb4 C8 21.6(4) 5_656 5_656 ?
O18 Pb4 C8 86.4(3) . 5_656 ?
O10 Pb4 C8 101.6(3) . 5_656 ?
O14 Pb4 C8 82.7(3) . 5_656 ?
O19 Pb4 C8 74.7(3) . 5_656 ?
O7 Pb4 C8 149.1(3) . 5_656 ?
O3 Pb4 Pb4 117.6(3) 5_656 8_565 ?
O18 Pb4 Pb4 99.06(16) . 8_565 ?
O10 Pb4 Pb4 100.64(18) . 8_565 ?
O14 Pb4 Pb4 166.22(17) . 8_565 ?
O19 Pb4 Pb4 38.1(2) . 8_565 ?
O7 Pb4 Pb4 98.51(17) . 8_565 ?
C8 Pb4 Pb4 111.0(2) 5_656 8_565 ?
O3 Pb4 Pb1 110.2(3) 5_656 . ?
O18 Pb4 Pb1 64.73(18) . . ?
O10 Pb4 Pb1 89.77(18) . . ?
O14 Pb4 Pb1 37.24(19) . . ?
O19 Pb4 Pb1 148.5(3) . . ?
O7 Pb4 Pb1 36.82(17) . . ?
C8 Pb4 Pb1 112.4(2) 5_656 . ?
Pb4 Pb4 Pb1 132.109(9) 8_565 . ?
O3 Pb4 Pb3 79.4(3) 5_656 . ?
O18 Pb4 Pb3 123.43(18) . . ?
O10 Pb4 Pb3 31.68(18) . . ?
O14 Pb4 Pb3 42.62(19) . . ?
O19 Pb4 Pb3 150.0(3) . . ?
O7 Pb4 Pb3 67.27(18) . . ?
C8 Pb4 Pb3 98.8(3) 5_656 . ?
Pb4 Pb4 Pb3 129.430(9) 8_565 . ?
Pb1 Pb4 Pb3 61.330(11) . . ?
O3 Pb4 Pb5 78.9(3) 5_656 2_554 ?
O18 Pb4 Pb5 32.46(19) . 2_554 ?
O10 Pb4 Pb5 158.1(2) . 2_554 ?
O14 Pb4 Pb5 94.57(18) . 2_554 ?
O19 Pb4 Pb5 65.4(3) . 2_554 ?
O7 Pb4 Pb5 112.39(18) . 2_554 ?
C8 Pb4 Pb5 57.9(3) 5_656 2_554 ?
Pb4 Pb4 Pb5 94.552(8) 8_565 2_554 ?
Pb1 Pb4 Pb5 91.653(12) . 2_554 ?
Pb3 Pb4 Pb5 136.009(14) . 2_554 ?
O16 Pb5 O12 79.6(3) 2 . ?
O16 Pb5 O2W 92.4(4) 2 . ?
O12 Pb5 O2W 72.8(3) . . ?
O16 Pb5 O4 93.0(3) 2 6_557 ?
O12 Pb5 O4 149.1(3) . 6_557 ?
O2W Pb5 O4 77.7(4) . 6_557 ?
O16 Pb5 O20 162.5(3) 2 2 ?
O12 Pb5 O20 116.7(3) . 2 ?
O2W Pb5 O20 98.5(4) . 2 ?
O4 Pb5 O20 76.1(3) 6_557 2 ?
O16 Pb5 O18 84.1(3) 2 2 ?
O12 Pb5 O18 136.6(3) . 2 ?
O2W Pb5 O18 148.3(3) . 2 ?
O4 Pb5 O18 71.1(3) 6_557 2 ?
O20 Pb5 O18 79.4(3) 2 2 ?
O16 Pb5 O6 69.9(3) 2 . ?
O12 Pb5 O6 71.0(3) . . ?
O2W Pb5 O6 141.9(3) . . ?
O4 Pb5 O6 134.5(3) 6_557 . ?
O20 Pb5 O6 108.0(3) 2 . ?
O18 Pb5 O6 65.7(2) 2 . ?
O16 Pb5 Pb1 39.5(2) 2 . ?
O12 Pb5 Pb1 40.16(19) . . ?
O2W Pb5 Pb1 79.4(3) . . ?
O4 Pb5 Pb1 125.3(2) 6_557 . ?
O20 Pb5 Pb1 156.6(3) 2 . ?
O18 Pb5 Pb1 114.60(17) 2 . ?
O6 Pb5 Pb1 65.38(16) . . ?
O16 Pb5 Pb2 38.9(2) 2 . ?
O12 Pb5 Pb2 83.83(19) . . ?
O2W Pb5 Pb2 129.7(3) . . ?
O4 Pb5 Pb2 109.1(2) 6_557 . ?
O20 Pb5 Pb2 131.8(3) 2 . ?
O18 Pb5 Pb2 59.40(17) 2 . ?
O6 Pb5 Pb2 34.61(15) . . ?
Pb1 Pb5 Pb2 55.518(10) . . ?
O16 Pb5 Pb4 98.1(2) 2 2 ?
O12 Pb5 Pb4 165.7(2) . 2 ?
O2W Pb5 Pb4 121.5(3) . 2 ?
O4 Pb5 Pb4 44.6(3) 6_557 2 ?
O20 Pb5 Pb4 64.5(3) 2 2 ?
O18 Pb5 Pb4 29.53(18) 2 2 ?
O6 Pb5 Pb4 94.91(16) . 2 ?
Pb1 Pb5 Pb4 136.360(14) . 2 ?
Pb2 Pb5 Pb4 85.665(12) . 2 ?
C18 O8 Pb2 138.1(8) . . ?
C18 O8 Pb3 120.2(8) . . ?
Pb2 O8 Pb3 101.6(3) . . ?
C18 O8 Pb1 85.5(8) . . ?
Pb2 O8 Pb1 89.3(3) . . ?
Pb3 O8 Pb1 99.3(3) . . ?
C41 O18 Pb4 115.7(7) . . ?
C41 O18 Pb5 125.9(7) . 2_554 ?
Pb4 O18 Pb5 118.0(3) . 2_554 ?
C18 O7 Pb1 106.1(7) . . ?
C18 O7 Pb4 109.2(8) . . ?
Pb1 O7 Pb4 105.2(3) . . ?
C35 O14 Pb4 124.5(7) . . ?
C35 O14 Pb1 126.7(8) . . ?
Pb4 O14 Pb1 107.1(3) . . ?
C35 O14 Pb3 82.6(7) . . ?
Pb4 O14 Pb3 101.5(3) . . ?
Pb1 O14 Pb3 100.6(2) . . ?
C28 O12 Pb5 149.6(8) . . ?
C28 O12 Pb1 86.6(7) . . ?
Pb5 O12 Pb1 104.1(3) . . ?
C48 O19 Pb4 125.6(4) . 8_565 ?
C48 O19 Pb4 125.6(4) . . ?
Pb4 O19 Pb4 103.9(4) 8_565 . ?
C28 O11 Pb1 98.7(7) . . ?
C28 O11 Pb2 145.8(8) . 2_554 ?
Pb1 O11 Pb2 104.4(3) . 2_554 ?
C36 O16 Pb5 135.3(8) . 2_554 ?
C36 O16 Pb1 85.6(6) . 2_554 ?
Pb5 O16 Pb1 107.5(3) 2_554 2_554 ?
C36 O16 Pb2 113.2(7) . 2_554 ?
Pb5 O16 Pb2 109.8(3) 2_554 2_554 ?
Pb1 O16 Pb2 88.7(2) 2_554 2_554 ?
C48 O20 Pb5 115.7(2) . 2_554 ?
C48 O20 Pb5 115.7(2) . 7_665 ?
Pb5 O20 Pb5 128.4(5) 2_554 7_665 ?
C23 O10 Pb3 101.4(7) . . ?
C23 O10 Pb4 114.7(7) . . ?
Pb3 O10 Pb4 116.2(3) . . ?
C13 O6 Pb2 99.6(7) . . ?
C13 O6 Pb5 116.1(8) . . ?
Pb2 O6 Pb5 106.4(3) . . ?
C7 O2 Pb2 92.0(8) . . ?
C8 O4 Pb5 174.6(10) . 6_657 ?
C35 O13 Pb3 107.7(8) . . ?
C23 O9 Pb3 164.7(9) . 5_656 ?
C23 O9 Pb3 88.6(8) . . ?
Pb3 O9 Pb3 106.5(3) 5_656 . ?
C7 O1 Pb2 94.3(8) . . ?
C7 O1 Pb3 134.8(9) . . ?
Pb2 O1 Pb3 96.4(3) . . ?
C8 O3 Pb4 117.7(9) . 5_656 ?
C36 O15 Pb1 102.2(9) . 2_554 ?
C13 O5 Pb1 116.8(7) . . ?
C13 O5 Pb2 87.0(7) . . ?
Pb1 O5 Pb2 89.8(2) . . ?
C13 O5 Pb3 144.2(8) . . ?
Pb1 O5 Pb3 98.9(2) . . ?
Pb2 O5 Pb3 91.3(2) . . ?
C11 C10 C9 119.9(11) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
O20 C48 O19 121.8(18) . . ?
O20 C48 C42 120.0(16) . . ?
O19 C48 C42 118.3(18) . . ?
C26 C25 C24 122.4(11) . . ?
C26 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
O6 C13 O5 123.1(10) . . ?
O6 C13 C9 118.2(9) . . ?
O5 C13 C9 118.7(10) . . ?
O6 C13 Pb2 56.7(6) . . ?
O5 C13 Pb2 68.9(6) . . ?
C9 C13 Pb2 163.8(7) . . ?
C47 C46 C45 122(2) . . ?
C47 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C42 C47 C46 119.6(18) . . ?
C42 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
O17 C41 O18 124.5(10) . . ?
O17 C41 C37 116.8(11) . . ?
O18 C41 C37 118.6(10) . . ?
C14 C17 C14 117.3(16) 8_565 . ?
C14 C17 H17 121.3 8_565 . ?
C14 C17 H17 121.3 . . ?
C12 C9 C10 120.0(10) . . ?
C12 C9 C13 120.9(10) . . ?
C10 C9 C13 119.1(10) . . ?
C15 C14 C17 121.5(12) . . ?
C15 C14 C18 121.6(11) . . ?
C17 C14 C18 116.9(11) . . ?
C25 C24 C27 118.0(10) . . ?
C25 C24 C28 120.2(10) . . ?
C27 C24 C28 121.8(10) . . ?
C38 C37 C40 119.3(11) . . ?
C38 C37 C41 121.9(10) . . ?
C40 C37 C41 118.8(10) . . ?
C25 C26 C25 118.5(16) . 8 ?
C25 C26 H26 120.8 . . ?
C25 C26 H26 120.8 8 . ?
C9 C12 C9 119.9(14) . 8 ?
C9 C12 H12 120.1 . . ?
C9 C12 H12 120.1 8 . ?
C37 C40 C37 119.9(14) 8_565 . ?
C37 C40 H40 120.1 8_565 . ?
C37 C40 H40 120.1 . . ?
O14 C35 O13 122.5(11) . . ?
O14 C35 C29 121.3(11) . . ?
O13 C35 C29 116.1(10) . . ?
O14 C35 Pb3 73.8(6) . . ?
O13 C35 Pb3 49.4(6) . . ?
C29 C35 Pb3 161.5(7) . . ?
C29 C34 C33 120.6(11) . . ?
C29 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C16 C15 C14 120.0(13) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C32 C33 C34 119.9(11) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C15 C16 C15 119.5(17) . 8_565 ?
C15 C16 H16 120.3 . . ?
C15 C16 H16 120.3 8_565 . ?
C37 C38 C39 120.5(12) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
O9 C23 O10 120.9(11) . . ?
O9 C23 C19 121.3(12) . . ?
O10 C23 C19 117.7(10) . . ?
O9 C23 Pb3 67.2(7) . . ?
O10 C23 Pb3 54.3(6) . . ?
C19 C23 Pb3 167.7(9) . . ?
C10 C11 C10 120.4(16) . 8 ?
C10 C11 H11 119.8 . . ?
C10 C11 H11 119.8 8 . ?
O7 C18 O8 121.6(11) . . ?
O7 C18 C14 120.9(10) . . ?
O8 C18 C14 117.5(12) . . ?
C20 C19 C22 118.7(12) . . ?
C20 C19 C23 120.5(11) . . ?
C22 C19 C23 120.8(12) . . ?
O11 C28 O12 123.3(10) . . ?
O11 C28 C24 118.6(10) . . ?
O12 C28 C24 118.0(10) . . ?
O11 C28 Pb1 57.3(6) . . ?
O12 C28 Pb1 68.8(6) . . ?
C24 C28 Pb1 160.7(8) . . ?
O4 C8 O3 122.3(14) . . ?
O4 C8 C5 123.9(13) . . ?
O3 C8 C5 113.8(13) . . ?
O4 C8 Pb4 82.9(9) . 5_656 ?
O3 C8 Pb4 40.7(7) . 5_656 ?
C5 C8 Pb4 151.1(10) . 5_656 ?
C31 C32 C33 120.2(12) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C3 C4 C5 120.5(13) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C46 C45 C44 121(2) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C6 C5 C4 119.9(12) . . ?
C6 C5 C8 120.2(11) . . ?
C4 C5 C8 119.9(12) . . ?
O1 C7 O2 120.9(13) . . ?
O1 C7 C1 121.3(12) . . ?
O2 C7 C1 117.8(11) . . ?
O1 C7 Pb2 60.3(7) . . ?
O2 C7 Pb2 61.0(7) . . ?
C1 C7 Pb2 170.8(9) . . ?
C5 C6 C1 119.7(11) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C30 C29 C34 118.8(11) . . ?
C30 C29 C35 119.2(10) . . ?
C34 C29 C35 122.0(11) . . ?
O15 C36 O16 123.4(12) . . ?
O15 C36 C31 120.6(12) . . ?
O16 C36 C31 115.9(10) . . ?
O15 C36 Pb1 55.2(7) . 2_554 ?
O16 C36 Pb1 69.0(6) . 2_554 ?
C31 C36 Pb1 171.5(9) . 2_554 ?
C32 C31 C30 120.0(11) . . ?
C32 C31 C36 118.6(11) . . ?
C30 C31 C36 121.4(10) . . ?
C38 C39 C38 120.3(17) . 8_565 ?
C38 C39 H39 119.8 . . ?
C38 C39 H39 119.8 8_565 . ?
C6 C1 C2 120.0(12) . . ?
C6 C1 C7 119.4(11) . . ?
C2 C1 C7 120.5(12) . . ?
C21 C20 C19 120.5(13) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C29 C30 C31 120.4(10) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C20 C21 C20 120.5(17) 8_565 . ?
C20 C21 H21 119.8 8_565 . ?
C20 C21 H21 119.8 . . ?
C43 C44 C45 112.1(18) . . ?
C43 C44 C49 121.0(17) . . ?
C45 C44 C49 117.5(18) . . ?
C43 C44 C49 121.0(17) . 8_565 ?
C45 C44 C49 117.5(18) . 8_565 ?
C49 C44 C49 57.8(17) . 8_565 ?
C1 C2 C3 119.4(13) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 120.3(12) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C24 C27 C24 120.7(13) 8 . ?
C24 C27 H27 119.6 8 . ?
C24 C27 H27 119.6 . . ?
C19 C22 C19 120.9(17) 8_565 . ?
C19 C22 H22 119.6 8_565 . ?
C19 C22 H22 119.6 . . ?
C41 O17 Pb2 116.9(7) . 2_554 ?
C41 O17 Pb1 119.8(7) . . ?
Pb2 O17 Pb1 115.7(3) 2_554 . ?
C49 O22 C49 75(2) 8_565 . ?
C47 C42 C43 119.7(19) . . ?
C47 C42 C48 121.6(17) . . ?
C43 C42 C48 118.7(18) . . ?
O22 C49 O21 129.6(17) . . ?
O22 C49 C49 52.4(12) . 8_565 ?
O21 C49 C49 147.1(18) . 8_565 ?
O22 C49 C44 100.0(14) . . ?
O21 C49 C44 130.4(14) . . ?
C49 C49 C44 61.1(9) 8_565 . ?
C42 C43 C44 126(2) . . ?
C42 C43 H43 116.9 . . ?
C44 C43 H43 116.9 . . ?
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 O15 2.531(10) 2 ?
Pb1 O17 2.534(8) . ?
Pb1 O11 2.568(8) . ?
Pb1 O7 2.634(8) . ?
Pb1 O14 2.685(8) . ?
Pb1 O12 2.816(9) . ?
Pb1 O16 2.823(8) 2 ?
Pb1 O5 2.826(8) . ?
Pb1 C36 3.014(12) 2 ?
Pb1 C28 3.014(10) . ?
Pb1 O8 3.044(10) . ?
Pb1 Pb2 4.0134(6) . ?
Pb2 O17 2.490(7) 2 ?
Pb2 O1 2.500(10) . ?
Pb2 O2 2.511(10) . ?
Pb2 O6 2.592(8) . ?
Pb2 O8 2.654(8) . ?
Pb2 O11 2.813(8) 2 ?
Pb2 O5 2.859(8) . ?
Pb2 C7 2.870(13) . ?
Pb2 O16 2.920(9) 2 ?
Pb2 C13 3.060(11) . ?
Pb2 Pb3 4.1376(7) . ?
Pb3 O13 2.459(9) . ?
Pb3 O10 2.532(8) . ?
Pb3 O9 2.650(8) 5_656 ?
Pb3 O8 2.684(9) . ?
Pb3 O3W 2.731(12) . ?
Pb3 O9 2.819(10) . ?
Pb3 O5 2.926(8) . ?
Pb3 O14 2.990(8) . ?
Pb3 O1 3.030(10) . ?
Pb3 C23 3.057(12) . ?
Pb3 C35 3.088(11) . ?
Pb4 O3 2.256(9) 5_656 ?
Pb4 O18 2.471(8) . ?
Pb4 O10 2.564(8) . ?
Pb4 O14 2.588(8) . ?
Pb4 O19 2.607(8) . ?
Pb4 O7 2.704(9) . ?
Pb4 C8 3.063(14) 5_656 ?
Pb4 Pb4 4.1050(9) 8_565 ?
Pb4 Pb5 4.4259(7) 2_554 ?
Pb5 O16 2.421(8) 2 ?
Pb5 O12 2.551(9) . ?
Pb5 O2W 2.578(11) . ?
Pb5 O4 2.579(11) 6_557 ?
Pb5 O20 2.670(5) 2 ?
Pb5 O18 2.691(8) 2 ?
Pb5 O6 2.870(10) . ?
Pb5 Pb4 4.4259(7) 2 ?
O8 C18 1.288(13) . ?
O18 C41 1.279(14) . ?
O18 Pb5 2.691(8) 2_554 ?
O7 C18 1.248(15) . ?
O14 C35 1.247(14) . ?
O12 C28 1.257(14) . ?
O19 C48 1.29(2) . ?
O19 Pb4 2.607(8) 8_565 ?
O11 C28 1.236(13) . ?
O11 Pb2 2.813(8) 2_554 ?
O16 C36 1.296(15) . ?
O16 Pb5 2.421(8) 2_554 ?
O16 Pb1 2.823(8) 2_554 ?
O16 Pb2 2.920(9) 2_554 ?
O20 C48 1.26(2) . ?
O20 Pb5 2.670(5) 2_554 ?
O20 Pb5 2.670(5) 7_665 ?
O10 C23 1.284(15) . ?
O6 C13 1.251(14) . ?
O2 C7 1.303(16) . ?
O4 C8 1.238(17) . ?
O4 Pb5 2.579(11) 6_657 ?
O13 C35 1.263(14) . ?
O9 C23 1.253(13) . ?
O9 Pb3 2.650(8) 5_656 ?
O1 C7 1.235(15) . ?
O3 C8 1.272(17) . ?
O3 Pb4 2.256(9) 5_656 ?
O15 C36 1.187(14) . ?
O15 Pb1 2.531(10) 2_554 ?
O5 C13 1.250(13) . ?
C10 C11 1.380(14) . ?
C10 C9 1.389(15) . ?
C10 H10 0.9300 . ?
C48 C42 1.50(3) . ?
C25 C26 1.369(14) . ?
C25 C24 1.389(15) . ?
C25 H25 0.9300 . ?
C13 C9 1.528(14) . ?
C46 C47 1.37(3) . ?
C46 C45 1.37(3) . ?
C46 H46 0.9300 . ?
C47 C42 1.36(3) . ?
C47 H47 0.9300 . ?
C41 O17 1.253(13) . ?
C41 C37 1.494(15) . ?
C17 C14 1.394(14) 8_565 ?
C17 C14 1.394(14) . ?
C17 H17 0.9300 . ?
C9 C12 1.386(12) . ?
C14 C15 1.391(17) . ?
C14 C18 1.505(16) . ?
C24 C27 1.399(12) . ?
C24 C28 1.497(14) . ?
C37 C38 1.360(16) . ?
C37 C40 1.412(13) . ?
C26 C25 1.369(14) 8 ?
C26 H26 0.9300 . ?
C12 C9 1.386(12) 8 ?
C12 H12 0.9300 . ?
C40 C37 1.412(13) 8_565 ?
C40 H40 0.9300 . ?
C35 C29 1.487(16) . ?
C34 C29 1.386(16) . ?
C34 C33 1.390(17) . ?
C34 H34 0.9300 . ?
C15 C16 1.383(16) . ?
C15 H15 0.9300 . ?
C33 C32 1.375(18) . ?
C33 H33 0.9300 . ?
C16 C15 1.383(16) 8_565 ?
C16 H16 0.9300 . ?
C38 C39 1.388(15) . ?
C38 H38 0.9300 . ?
C23 C19 1.492(16) . ?
C11 C10 1.380(14) 8 ?
C11 H11 0.9300 . ?
C19 C20 1.383(17) . ?
C19 C22 1.395(14) . ?
C8 C5 1.494(18) . ?
C8 Pb4 3.063(14) 5_656 ?
C32 C31 1.368(16) . ?
C32 H32 0.9300 . ?
C4 C3 1.365(19) . ?
C4 C5 1.394(16) . ?
C4 H4 0.9300 . ?
C45 C44 1.48(3) . ?
C45 H45 0.9300 . ?
C5 C6 1.388(17) . ?
C7 C1 1.480(17) . ?
C6 C1 1.393(17) . ?
C6 H6 0.9300 . ?
C29 C30 1.381(15) . ?
C36 C31 1.512(16) . ?
C36 Pb1 3.014(12) 2_554 ?
C31 C30 1.398(15) . ?
C39 C38 1.388(15) 8_565 ?
C39 H39 0.9300 . ?
C1 C2 1.395(17) . ?
C20 C21 1.375(16) . ?
C20 H20 0.9300 . ?
C30 H30 0.9300 . ?
C21 C20 1.375(15) 8_565 ?
C21 H21 0.9300 . ?
C44 C43 1.39(3) . ?
C44 C49 1.618(17) . ?
C44 C49 1.618(17) 8_565 ?
C2 C3 1.397(19) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C27 C24 1.399(12) 8 ?
C27 H27 0.9300 . ?
C22 C19 1.395(14) 8_565 ?
C22 H22 0.9300 . ?
O1W O1W 1.34(5) 8_575 ?
O17 Pb2 2.490(7) 2_554 ?
O22 C49 1.282(10) 8_565 ?
O22 C49 1.282(10) . ?
C42 C43 1.36(3) . ?
C49 O21 1.284(10) . ?
C49 C49 1.56(4) 8_565 ?
C43 H43 0.9300 . ?
