#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:30:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179064 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/26/4302628.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_4302628
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            'C36 H22 O20 Pb5'
_chemical_formula_weight         1810.54
_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                109.922(15)
_cell_angle_beta                 92.24(2)
_cell_angle_gamma                105.002(16)
_cell_formula_units_Z            1
_cell_length_a                   7.146(3)
_cell_length_b                   10.323(4)
_cell_length_c                   14.009(6)
_cell_measurement_reflns_used    1170
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4642
_cell_measurement_theta_min      2.9804
_cell_volume                     929.2(7)
_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 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0502
_diffrn_reflns_av_sigmaI/netI    0.1098
_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       -18
_diffrn_reflns_number            7231
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.18
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    22.662
_exptl_absorpt_correction_T_max  0.205
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.3100
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0700
_refine_diff_density_max         3.624
_refine_diff_density_min         -3.987
_refine_diff_density_rms         0.412
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         4297
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0453
_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)+(0.0001P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1007
_reflns_number_gt                3346
_reflns_number_total             4297
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900425r_si_001_5.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4302628
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.82071(6) 0.06380(4) 0.38035(3) 0.01995(12) Uani 1 1 d . . .
Pb2 Pb 1.0000 0.5000 0.5000 0.01833(14) Uani 1 2 d S . .
Pb3 Pb 0.55930(6) -0.30900(4) 0.45369(3) 0.01827(12) Uani 1 1 d . . .
O10 O 0.6890(12) -0.1166(9) 0.1981(6) 0.033(2) Uani 1 1 d . . .
O5 O 0.7948(10) 0.2767(7) 0.3260(5) 0.0210(16) Uani 1 1 d . . .
O2 O 1.0994(11) 0.3598(8) 0.6131(6) 0.0275(18) Uani 1 1 d . . .
O9 O 0.6186(12) -0.1945(8) 0.3222(6) 0.0295(19) Uani 1 1 d . . .
O8 O 0.2335(10) 0.4727(7) 0.3531(5) 0.0214(16) Uani 1 1 d . . .
O7 O 0.1852(10) 0.2696(7) 0.3842(5) 0.0197(15) Uani 1 1 d . . .
O3 O 0.5276(10) -0.0824(7) 0.6034(6) 0.0240(17) Uani 1 1 d . . .
O4 O 0.8058(10) -0.0318(7) 0.5425(5) 0.0219(16) Uani 1 1 d . . .
O1 O 0.7820(11) 0.2452(7) 0.5538(5) 0.0224(17) Uani 1 1 d . . .
O6 O 0.6087(9) 0.4058(7) 0.4115(5) 0.0186(15) Uani 1 1 d . . .
C4 C 0.8683(16) 0.1930(13) 0.8933(8) 0.027(3) Uani 1 1 d . . .
H4A H 0.8561 0.1733 0.9532 0.032 Uiso 1 1 calc R . .
C6 C 1.0087(15) 0.3531(11) 0.8068(8) 0.021(2) Uani 1 1 d . . .
H6A H 1.0883 0.4413 0.8090 0.026 Uiso 1 1 calc R . .
C5 C 0.9880(16) 0.3239(13) 0.8975(8) 0.028(3) Uani 1 1 d . . .
H5A H 1.0548 0.3925 0.9599 0.033 Uiso 1 1 calc R . .
C2 C 0.7893(14) 0.1162(10) 0.7106(8) 0.016(2) Uani 1 1 d . . .
C1 C 0.9103(13) 0.2502(10) 0.7147(7) 0.014(2) Uani 1 1 d . . .
C16 C 0.2446(14) 0.3479(11) 0.3315(7) 0.016(2) Uani 1 1 d . . .
C7 C 0.9342(15) 0.2880(11) 0.6197(7) 0.019(2) Uani 1 1 d . . .
C9 C 0.5092(14) 0.2736(10) 0.2314(7) 0.016(2) Uani 1 1 d . . .
C3 C 0.7670(15) 0.0918(11) 0.8018(8) 0.020(2) Uani 1 1 d . . .
H3A H 0.6825 0.0059 0.8008 0.024 Uiso 1 1 calc R . .
C8 C 0.7013(14) -0.0031(10) 0.6108(7) 0.015(2) Uani 1 1 d . . .
C15 C 0.6445(13) 0.3199(10) 0.3284(7) 0.014(2) Uani 1 1 d . . .
C10 C 0.3164(14) 0.2840(10) 0.2349(7) 0.014(2) Uani 1 1 d . . .
C17 C 0.6132(15) -0.2155(12) 0.2273(8) 0.022(2) Uani 1 1 d . . .
C13 C 0.4475(19) 0.1686(14) 0.0477(8) 0.036(3) Uani 1 1 d . . .
H13A H 0.4907 0.1308 -0.0148 0.044 Uiso 1 1 calc R . .
C12 C 0.2610(19) 0.1765(14) 0.0493(9) 0.037(3) Uani 1 1 d . . .
H12A H 0.1768 0.1411 -0.0120 0.044 Uiso 1 1 calc R . .
C14 C 0.5740(16) 0.2162(12) 0.1378(8) 0.027(3) Uani 1 1 d . . .
H14A H 0.7014 0.2100 0.1360 0.032 Uiso 1 1 calc R . .
C11 C 0.1935(16) 0.2374(13) 0.1420(8) 0.032(3) Uani 1 1 d . . .
H11A H 0.0675 0.2469 0.1418 0.039 Uiso 1 1 calc R . .
C18 C 0.5065(18) -0.3633(14) 0.1524(10) 0.041(3) Uani 1 1 d . . .
H18A H 0.5135 -0.3649 0.0837 0.061 Uiso 1 1 calc R . .
H18B H 0.3720 -0.3875 0.1631 0.061 Uiso 1 1 calc R . .
H18C H 0.5659 -0.4320 0.1623 0.061 Uiso 1 1 calc R . .
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
O9 Pb1 O10 50.8(2) . . ?
O9 Pb1 O3 77.0(2) . 2_656 ?
O10 Pb1 O3 87.2(3) . 2_656 ?
O9 Pb1 O1 119.6(2) . . ?
O10 Pb1 O1 152.5(3) . . ?
O3 Pb1 O1 65.4(2) 2_656 . ?
O9 Pb1 O5 132.4(2) . . ?
O10 Pb1 O5 91.3(2) . . ?
O3 Pb1 O5 73.1(2) 2_656 . ?
O1 Pb1 O5 79.4(2) . . ?
O9 Pb1 O4 69.7(2) . . ?
O10 Pb1 O4 119.7(2) . . ?
O3 Pb1 O4 89.1(2) 2_656 . ?
O1 Pb1 O4 64.5(2) . . ?
O5 Pb1 O4 143.8(2) . . ?
O9 Pb1 O7 148.1(2) . 1_655 ?
O10 Pb1 O7 110.8(2) . 1_655 ?
O3 Pb1 O7 132.7(2) 2_656 1_655 ?
O1 Pb1 O7 88.2(2) . 1_655 ?
O5 Pb1 O7 63.5(2) . 1_655 ?
O4 Pb1 O7 115.1(2) . 1_655 ?
O9 Pb1 C17 25.8(3) . . ?
O10 Pb1 C17 25.1(3) . . ?
O3 Pb1 C17 82.0(3) 2_656 . ?
O1 Pb1 C17 140.6(3) . . ?
O5 Pb1 C17 112.7(3) . . ?
O4 Pb1 C17 95.0(3) . . ?
O7 Pb1 C17 131.1(2) 1_655 . ?
O9 Pb1 O4 98.5(2) . 2_756 ?
O10 Pb1 O4 111.1(2) . 2_756 ?
O3 Pb1 O4 152.6(2) 2_656 2_756 ?
O1 Pb1 O4 95.3(2) . 2_756 ?
O5 Pb1 O4 124.4(2) . 2_756 ?
O4 Pb1 O4 64.4(2) . 2_756 ?
O7 Pb1 O4 61.0(2) 1_655 2_756 ?
C17 Pb1 O4 105.8(3) . 2_756 ?
O9 Pb1 Pb2 163.45(19) . . ?
O10 Pb1 Pb2 132.39(19) . . ?
O3 Pb1 Pb2 86.75(15) 2_656 . ?
O1 Pb1 Pb2 48.53(16) . . ?
O5 Pb1 Pb2 42.11(15) . . ?
O4 Pb1 Pb2 107.40(14) . . ?
O7 Pb1 Pb2 48.33(15) 1_655 . ?
C17 Pb1 Pb2 154.8(2) . . ?
O4 Pb1 Pb2 94.55(13) 2_756 . ?
O9 Pb1 Pb3 30.86(17) . . ?
O10 Pb1 Pb3 81.53(18) . . ?
O3 Pb1 Pb3 78.96(17) 2_656 . ?
O1 Pb1 Pb3 94.36(16) . . ?
O5 Pb1 Pb3 151.42(15) . . ?
O4 Pb1 Pb3 38.93(14) . . ?
O7 Pb1 Pb3 144.72(15) 1_655 . ?
C17 Pb1 Pb3 56.5(2) . . ?
O4 Pb1 Pb3 83.72(14) 2_756 . ?
Pb2 Pb1 Pb3 142.67(2) . . ?
O9 Pb1 Pb3 104.70(19) . 2_656 ?
O10 Pb1 Pb3 118.2(2) . 2_656 ?
O3 Pb1 Pb3 32.68(15) 2_656 2_656 ?
O1 Pb1 Pb3 34.65(16) . 2_656 ?
O5 Pb1 Pb3 65.08(16) . 2_656 ?
O4 Pb1 Pb3 82.78(15) . 2_656 ?
O7 Pb1 Pb3 107.18(15) 1_655 2_656 ?
C17 Pb1 Pb3 114.4(2) . 2_656 ?
O4 Pb1 Pb3 129.73(13) 2_756 2_656 ?
Pb2 Pb1 Pb3 58.86(2) . 2_656 ?
Pb3 Pb1 Pb3 94.02(3) . 2_656 ?
O2 Pb2 O2 180.000(1) . 2_766 ?
O2 Pb2 O8 74.6(2) . 2_666 ?
O2 Pb2 O8 105.4(2) 2_766 2_666 ?
O2 Pb2 O8 105.4(2) . 1_655 ?
O2 Pb2 O8 74.6(2) 2_766 1_655 ?
O8 Pb2 O8 180.000(1) 2_666 1_655 ?
O2 Pb2 O5 101.7(2) . . ?
O2 Pb2 O5 78.3(2) 2_766 . ?
O8 Pb2 O5 108.1(2) 2_666 . ?
O8 Pb2 O5 71.9(2) 1_655 . ?
O2 Pb2 O5 78.3(2) . 2_766 ?
O2 Pb2 O5 101.7(2) 2_766 2_766 ?
O8 Pb2 O5 71.9(2) 2_666 2_766 ?
O8 Pb2 O5 108.1(2) 1_655 2_766 ?
O5 Pb2 O5 180.000(1) . 2_766 ?
O2 Pb2 O6 116.2(2) . . ?
O2 Pb2 O6 63.8(2) 2_766 . ?
O8 Pb2 O6 70.0(2) 2_666 . ?
O8 Pb2 O6 110.0(2) 1_655 . ?
O5 Pb2 O6 47.3(2) . . ?
O5 Pb2 O6 132.7(2) 2_766 . ?
O2 Pb2 O6 63.8(2) . 2_766 ?
O2 Pb2 O6 116.2(2) 2_766 2_766 ?
O8 Pb2 O6 110.0(2) 2_666 2_766 ?
O8 Pb2 O6 70.0(2) 1_655 2_766 ?
O5 Pb2 O6 132.7(2) . 2_766 ?
O5 Pb2 O6 47.3(2) 2_766 2_766 ?
O6 Pb2 O6 180.000(1) . 2_766 ?
O2 Pb2 O7 113.2(2) . 2_666 ?
O2 Pb2 O7 66.8(2) 2_766 2_666 ?
O8 Pb2 O7 45.34(19) 2_666 2_666 ?
O8 Pb2 O7 134.7(2) 1_655 2_666 ?
O5 Pb2 O7 120.0(2) . 2_666 ?
O5 Pb2 O7 60.0(2) 2_766 2_666 ?
O6 Pb2 O7 73.41(19) . 2_666 ?
O6 Pb2 O7 106.59(19) 2_766 2_666 ?
O2 Pb2 O7 66.8(2) . 1_655 ?
O2 Pb2 O7 113.2(2) 2_766 1_655 ?
O8 Pb2 O7 134.7(2) 2_666 1_655 ?
O8 Pb2 O7 45.34(19) 1_655 1_655 ?
O5 Pb2 O7 60.0(2) . 1_655 ?
O5 Pb2 O7 120.0(2) 2_766 1_655 ?
O6 Pb2 O7 106.59(19) . 1_655 ?
O6 Pb2 O7 73.41(19) 2_766 1_655 ?
O7 Pb2 O7 180.000(1) 2_666 1_655 ?
O2 Pb2 O1 134.3(2) . 2_766 ?
O2 Pb2 O1 45.7(2) 2_766 2_766 ?
O8 Pb2 O1 122.1(2) 2_666 2_766 ?
O8 Pb2 O1 57.9(2) 1_655 2_766 ?
O5 Pb2 O1 110.2(2) . 2_766 ?
O5 Pb2 O1 69.8(2) 2_766 2_766 ?
O6 Pb2 O1 109.5(2) . 2_766 ?
O6 Pb2 O1 70.5(2) 2_766 2_766 ?
O7 Pb2 O1 77.90(19) 2_666 2_766 ?
O7 Pb2 O1 102.10(19) 1_655 2_766 ?
O2 Pb2 O1 45.7(2) . . ?
O2 Pb2 O1 134.3(2) 2_766 . ?
O8 Pb2 O1 57.9(2) 2_666 . ?
O8 Pb2 O1 122.1(2) 1_655 . ?
O5 Pb2 O1 69.8(2) . . ?
O5 Pb2 O1 110.2(2) 2_766 . ?
O6 Pb2 O1 70.5(2) . . ?
O6 Pb2 O1 109.5(2) 2_766 . ?
O7 Pb2 O1 102.10(19) 2_666 . ?
O7 Pb2 O1 77.90(19) 1_655 . ?
O1 Pb2 O1 180.000(1) 2_766 . ?
O9 Pb3 O6 161.2(3) . 2_656 ?
O9 Pb3 O3 97.1(2) . . ?
O6 Pb3 O3 74.0(2) 2_656 . ?
O9 Pb3 O1 82.4(3) . 2_656 ?
O6 Pb3 O1 78.8(2) 2_656 2_656 ?
O3 Pb3 O1 63.1(2) . 2_656 ?
O9 Pb3 O7 127.3(2) . 2_656 ?
O6 Pb3 O7 67.0(2) 2_656 2_656 ?
O3 Pb3 O7 73.7(2) . 2_656 ?
O1 Pb3 O7 130.7(2) 2_656 2_656 ?
O9 Pb3 O8 99.2(2) . 1_545 ?
O6 Pb3 O8 72.3(2) 2_656 1_545 ?
O3 Pb3 O8 119.6(2) . 1_545 ?
O1 Pb3 O8 62.2(2) 2_656 1_545 ?
O7 Pb3 O8 131.0(2) 2_656 1_545 ?
O9 Pb3 O2 75.8(3) . 2_756 ?
O6 Pb3 O2 122.8(2) 2_656 2_756 ?
O3 Pb3 O2 126.8(2) . 2_756 ?
O1 Pb3 O2 156.9(2) 2_656 2_756 ?
O7 Pb3 O2 70.5(2) 2_656 2_756 ?
O8 Pb3 O2 113.6(2) 1_545 2_756 ?
O9 Pb3 O4 69.8(2) . . ?
O6 Pb3 O4 112.5(2) 2_656 . ?
O3 Pb3 O4 48.2(2) . . ?
O1 Pb3 O4 98.4(2) 2_656 . ?
O7 Pb3 O4 66.0(2) 2_656 . ?
O8 Pb3 O4 159.4(2) 1_545 . ?
O2 Pb3 O4 81.4(2) 2_756 . ?
O9 Pb3 O6 119.6(2) . 1_545 ?
O6 Pb3 O6 73.1(2) 2_656 1_545 ?
O3 Pb3 O6 142.2(2) . 1_545 ?
O1 Pb3 O6 126.61(19) 2_656 1_545 ?
O7 Pb3 O6 76.6(2) 2_656 1_545 ?
O8 Pb3 O6 66.3(2) 1_545 1_545 ?
O2 Pb3 O6 61.1(2) 2_756 1_545 ?
O4 Pb3 O6 134.1(2) . 1_545 ?
O9 Pb3 C8 85.6(3) . . ?
O6 Pb3 C8 91.6(2) 2_656 . ?
O3 Pb3 C8 24.6(2) . . ?
O1 Pb3 C8 82.8(2) 2_656 . ?
O7 Pb3 C8 64.6(2) 2_656 . ?
O8 Pb3 C8 143.3(2) 1_545 . ?
O2 Pb3 C8 102.9(2) 2_756 . ?
O4 Pb3 C8 24.0(2) . . ?
O6 Pb3 C8 141.1(2) 1_545 . ?
O9 Pb3 Pb2 122.44(19) . 1_445 ?
O6 Pb3 Pb2 41.37(15) 2_656 1_445 ?
O3 Pb3 Pb2 83.77(14) . 1_445 ?
O1 Pb3 Pb2 46.90(15) 2_656 1_445 ?
O7 Pb3 Pb2 108.30(15) 2_656 1_445 ?
O8 Pb3 Pb2 39.41(15) 1_545 1_445 ?
O2 Pb3 Pb2 144.58(15) 2_756 1_445 ?
O4 Pb3 Pb2 131.86(14) . 1_445 ?
O6 Pb3 Pb2 83.86(13) 1_545 1_445 ?
C8 Pb3 Pb2 108.28(18) . 1_445 ?
O9 Pb3 Pb2 113.3(2) . 1_545 ?
O6 Pb3 Pb2 85.36(16) 2_656 1_545 ?
O3 Pb3 Pb2 118.57(18) . 1_545 ?
O1 Pb3 Pb2 162.96(15) 2_656 1_545 ?
O7 Pb3 Pb2 45.12(16) 2_656 1_545 ?
O8 Pb3 Pb2 106.97(16) 1_545 1_545 ?
O2 Pb3 Pb2 37.52(17) 2_756 1_545 ?
O4 Pb3 Pb2 93.50(16) . 1_545 ?
O6 Pb3 Pb2 40.64(13) 1_545 1_545 ?
C8 Pb3 Pb2 104.16(18) . 1_545 ?
Pb2 Pb3 Pb2 116.20(3) 1_445 1_545 ?
C17 O10 Pb1 93.4(6) . . ?
C15 O5 Pb1 124.1(6) . . ?
C15 O5 Pb2 94.8(5) . . ?
Pb1 O5 Pb2 98.4(2) . . ?
C7 O2 Pb2 100.2(7) . . ?
C7 O2 Pb3 137.7(7) . 2_756 ?
Pb2 O2 Pb3 103.5(2) . 2_756 ?
C17 O9 Pb3 146.0(7) . . ?
C17 O9 Pb1 94.8(6) . . ?
Pb3 O9 Pb1 118.2(3) . . ?
C16 O8 Pb2 103.4(6) . 1_455 ?
C16 O8 Pb3 117.2(6) . 1_565 ?
Pb2 O8 Pb3 100.7(2) 1_455 1_565 ?
C16 O7 Pb3 115.9(6) . 2_656 ?
C16 O7 Pb1 134.7(6) . 1_455 ?
Pb3 O7 Pb1 109.3(2) 2_656 1_455 ?
C16 O7 Pb2 86.1(6) . 1_455 ?
Pb3 O7 Pb2 95.7(2) 2_656 1_455 ?
Pb1 O7 Pb2 86.33(19) 1_455 1_455 ?
C8 O3 Pb1 140.4(6) . 2_656 ?
C8 O3 Pb3 96.5(5) . . ?
Pb1 O3 Pb3 115.6(2) 2_656 . ?
C8 O4 Pb1 124.5(7) . . ?
C8 O4 Pb3 90.9(5) . . ?
Pb1 O4 Pb3 102.1(2) . . ?
C8 O4 Pb1 112.1(6) . 2_756 ?
Pb1 O4 Pb1 115.6(2) . 2_756 ?
Pb3 O4 Pb1 105.2(2) . 2_756 ?
C7 O1 Pb1 111.8(6) . . ?
C7 O1 Pb3 135.8(6) . 2_656 ?
Pb1 O1 Pb3 112.2(2) . 2_656 ?
C7 O1 Pb2 82.5(5) . . ?
Pb1 O1 Pb2 91.8(2) . . ?
Pb3 O1 Pb2 92.8(2) 2_656 . ?
C15 O6 Pb3 121.0(6) . 2_656 ?
C15 O6 Pb2 92.2(5) . . ?
Pb3 O6 Pb2 100.4(2) 2_656 . ?
C15 O6 Pb3 128.7(6) . 1_565 ?
Pb3 O6 Pb3 106.9(2) 2_656 1_565 ?
Pb2 O6 Pb3 96.48(18) . 1_565 ?
C3 C4 C5 120.7(10) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C1 C6 C5 119.6(10) . . ?
C1 C6 H6A 120.2 . . ?
C5 C6 H6A 120.2 . . ?
C4 C5 C6 119.7(9) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C3 C2 C1 118.6(9) . . ?
C3 C2 C8 119.8(9) . . ?
C1 C2 C8 121.3(9) . . ?
C6 C1 C2 120.6(9) . . ?
C6 C1 C7 117.5(9) . . ?
C2 C1 C7 121.9(9) . . ?
O8 C16 O7 124.2(9) . . ?
O8 C16 C10 117.2(9) . . ?
O7 C16 C10 118.4(9) . . ?
O2 C7 O1 125.6(9) . . ?
O2 C7 C1 117.6(9) . . ?
O1 C7 C1 116.9(9) . . ?
O2 C7 Pb2 56.8(6) . . ?
O1 C7 Pb2 73.7(5) . . ?
C1 C7 Pb2 154.1(7) . . ?
C14 C9 C10 120.7(9) . . ?
C14 C9 C15 119.2(9) . . ?
C10 C9 C15 120.1(8) . . ?
C4 C3 C2 120.8(10) . . ?
C4 C3 H3A 119.6 . . ?
C2 C3 H3A 119.6 . . ?
O4 C8 O3 122.2(8) . . ?
O4 C8 C2 119.1(8) . . ?
O3 C8 C2 118.3(8) . . ?
O4 C8 Pb3 65.1(5) . . ?
O3 C8 Pb3 58.9(5) . . ?
C2 C8 Pb3 158.6(7) . . ?
O5 C15 O6 121.6(9) . . ?
O5 C15 C9 119.0(8) . . ?
O6 C15 C9 119.4(9) . . ?
O5 C15 Pb2 61.4(5) . . ?
O6 C15 Pb2 63.5(5) . . ?
C9 C15 Pb2 159.4(6) . . ?
C11 C10 C9 118.2(9) . . ?
C11 C10 C16 119.3(9) . . ?
C9 C10 C16 122.4(8) . . ?
O10 C17 O9 120.9(10) . . ?
O10 C17 C18 121.4(11) . . ?
O9 C17 C18 117.8(11) . . ?
O10 C17 Pb1 61.5(6) . . ?
O9 C17 Pb1 59.4(5) . . ?
C18 C17 Pb1 177.0(10) . . ?
C12 C13 C14 120.8(11) . . ?
C12 C13 H13A 119.6 . . ?
C14 C13 H13A 119.6 . . ?
C13 C12 C11 121.0(11) . . ?
C13 C12 H12A 119.5 . . ?
C11 C12 H12A 119.5 . . ?
C13 C14 C9 119.5(11) . . ?
C13 C14 H14A 120.2 . . ?
C9 C14 H14A 120.2 . . ?
C10 C11 C12 119.7(11) . . ?
C10 C11 H11A 120.1 . . ?
C12 C11 H11A 120.1 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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 O9 2.509(7) . ?
Pb1 O10 2.557(8) . ?
Pb1 O3 2.559(7) 2_656 ?
Pb1 O1 2.590(7) . ?
Pb1 O5 2.604(7) . ?
Pb1 O4 2.763(8) . ?
Pb1 O7 2.889(7) 1_655 ?
Pb1 C17 2.904(10) . ?
Pb1 O4 2.979(8) 2_756 ?
Pb1 Pb2 4.0533(17) . ?
Pb1 Pb3 4.2986(15) . ?
Pb1 Pb3 4.3850(14) 2_656 ?
Pb2 O2 2.668(8) . ?
Pb2 O2 2.668(8) 2_766 ?
Pb2 O8 2.686(7) 2_666 ?
Pb2 O8 2.686(7) 1_655 ?
Pb2 O5 2.748(7) . ?
Pb2 O5 2.748(7) 2_766 ?
Pb2 O6 2.793(7) . ?
Pb2 O6 2.793(7) 2_766 ?
Pb2 O7 3.034(7) 2_666 ?
Pb2 O7 3.034(7) 1_655 ?
Pb2 O1 3.039(7) 2_766 ?
Pb2 O1 3.039(7) . ?
Pb3 O9 2.502(8) . ?
Pb3 O6 2.617(7) 2_656 ?
Pb3 O3 2.625(7) . ?
Pb3 O1 2.693(8) 2_656 ?
Pb3 O7 2.705(7) 2_656 ?
Pb3 O8 2.711(7) 1_545 ?
Pb3 O2 2.758(8) 2_756 ?
Pb3 O4 2.763(7) . ?
Pb3 O6 2.918(7) 1_545 ?
Pb3 C8 3.046(9) . ?
Pb3 Pb2 4.1566(16) 1_445 ?
Pb3 Pb2 4.2606(14) 1_545 ?
O10 C17 1.232(13) . ?
O5 C15 1.263(12) . ?
O2 C7 1.246(12) . ?
O2 Pb3 2.758(8) 2_756 ?
O9 C17 1.269(13) . ?
O8 C16 1.243(12) . ?
O8 Pb2 2.686(7) 1_455 ?
O8 Pb3 2.711(7) 1_565 ?
O7 C16 1.278(12) . ?
O7 Pb3 2.705(7) 2_656 ?
O7 Pb1 2.889(7) 1_455 ?
O7 Pb2 3.034(7) 1_455 ?
O3 C8 1.276(11) . ?
O3 Pb1 2.559(7) 2_656 ?
O4 C8 1.240(12) . ?
O4 Pb1 2.979(8) 2_756 ?
O1 C7 1.276(12) . ?
O1 Pb3 2.693(8) 2_656 ?
O6 C15 1.282(11) . ?
O6 Pb3 2.617(7) 2_656 ?
O6 Pb3 2.918(7) 1_565 ?
C4 C3 1.371(14) . ?
C4 C5 1.380(16) . ?
C4 H4A 0.9300 . ?
C6 C1 1.377(13) . ?
C6 C5 1.407(15) . ?
C6 H6A 0.9300 . ?
C5 H5A 0.9300 . ?
C2 C3 1.391(14) . ?
C2 C1 1.410(13) . ?
C2 C8 1.491(13) . ?
C1 C7 1.513(14) . ?
C16 C10 1.467(13) . ?
C9 C14 1.395(14) . ?
C9 C10 1.411(14) . ?
C9 C15 1.492(13) . ?
C3 H3A 0.9300 . ?
C10 C11 1.401(14) . ?
C17 C18 1.502(15) . ?
C13 C12 1.357(18) . ?
C13 C14 1.382(16) . ?
C13 H13A 0.9300 . ?
C12 C11 1.401(16) . ?
C12 H12A 0.9300 . ?
C14 H14A 0.9300 . ?
C11 H11A 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
