#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:37:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180346 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/15/7201548.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_7201548
loop_
_publ_author_name
'Yang, En-Cui'
'Li, Jian'
'Ding, Bin'
'Liang, Qing-Qing'
'Wang, Xiu-Guang'
'Zhao, Xiao-Jun'
_publ_section_title
;
 An eight-connected 3D lead(ii) metal--organic framework with
 octanuclear lead(ii) as a secondary building unit: synthesis,
 characterization and luminescent property
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              158
_journal_paper_doi               10.1039/b709810c
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C24 H14 O14 Pb4'
_chemical_formula_weight         1355.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 112.611(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.282(2)
_cell_length_b                   13.589(1)
_cell_length_c                   14.027(1)
_cell_measurement_reflns_used    5058
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      2.17
_cell_volume                     2689.0(4)
_computing_cell_refinement       'Bruker SMART APEX II'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_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      294(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13526
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    25.041
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    3.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         4.257
_refine_diff_density_min         -3.276
_refine_diff_density_rms         0.402
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0477
_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)+(0.0920P)²+6.2614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1296
_refine_ls_wR_factor_ref         0.1321
_reflns_number_gt                4331
_reflns_number_total             4690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709810c.txt
_cod_data_source_block           70117e
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2689.0(5)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7201548
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.82956(3) 0.40653(3) 0.85607(3) 0.02689(16) Uani 1 1 d . . .
Pb2 Pb 0.57331(3) 0.52166(3) 0.67161(3) 0.02430(16) Uani 1 1 d . . .
Pb3 Pb 0.59301(3) 0.27359(3) 0.76099(3) 0.02106(16) Uani 1 1 d . . .
Pb4 Pb 0.70887(3) 0.32542(3) 0.57701(3) 0.02213(16) Uani 1 1 d . . .
O1 O 0.6892(6) 0.3682(6) 0.9337(7) 0.0321(19) Uani 1 1 d . . .
O2 O 0.5588(6) 0.4375(6) 0.8268(6) 0.0288(18) Uani 1 1 d . . .
O3 O 0.4118(5) 0.7149(5) 0.9186(6) 0.0225(16) Uani 1 1 d . . .
O4 O 0.4764(6) 0.7879(6) 1.0701(7) 0.033(2) Uani 1 1 d . . .
O5 O 0.4542(6) 0.3901(6) 0.6184(7) 0.038(2) Uani 1 1 d . . .
O6 O 0.3833(7) 0.4886(6) 0.4855(7) 0.038(2) Uani 1 1 d . . .
O7 O 0.2788(10) 0.0983(9) 0.6740(10) 0.072(4) Uani 1 1 d . . .
O8 O 0.1477(9) 0.0534(7) 0.5465(12) 0.072(4) Uani 1 1 d . . .
O9 O 0.7418(7) 0.1873(7) 0.8320(8) 0.041(2) Uani 1 1 d . . .
O10 O 0.7998(7) 0.2116(7) 0.7124(8) 0.045(2) Uani 1 1 d . . .
O11 O 1.0532(9) 0.0000(9) 0.6898(9) 0.063(3) Uani 1 1 d . . .
O12 O 1.1238(7) -0.0988(9) 0.8136(9) 0.064(3) Uani 1 1 d . . .
O13 O 0.6700(5) 0.3898(5) 0.7042(6) 0.0216(16) Uani 1 1 d . . .
O14 O 0.9713(10) 0.3630(10) 1.0326(11) 0.084(4) Uani 1 1 d . . .
C1 C 0.6324(8) 0.5125(7) 0.9904(8) 0.019(2) Uani 1 1 d . . .
C2 C 0.5578(7) 0.5806(7) 0.9661(8) 0.017(2) Uani 1 1 d . . .
H2 H 0.5071 0.5773 0.9026 0.021 Uiso 1 1 calc R . .
C3 C 0.5597(8) 0.6520(7) 1.0360(8) 0.020(2) Uani 1 1 d . . .
C4 C 0.6336(9) 0.6579(8) 1.1288(10) 0.031(3) Uani 1 1 d . . .
H4 H 0.6357 0.7082 1.1745 0.037 Uiso 1 1 calc R . .
C5 C 0.7056(10) 0.5893(9) 1.1552(10) 0.035(3) Uani 1 1 d . . .
H5 H 0.7547 0.5919 1.2199 0.042 Uiso 1 1 calc R . .
C6 C 0.7048(10) 0.5182(8) 1.0872(9) 0.032(3) Uani 1 1 d . . .
H6 H 0.7538 0.4724 1.1059 0.039 Uiso 1 1 calc R . .
C7 C 0.6273(9) 0.4348(8) 0.9130(9) 0.025(2) Uani 1 1 d . . .
C8 C 0.4790(8) 0.7251(7) 1.0078(9) 0.021(2) Uani 1 1 d . . .
C9 C 0.2998(8) 0.3468(7) 0.5004(8) 0.020(2) Uani 1 1 d . . .
C10 C 0.2940(8) 0.2664(8) 0.5616(9) 0.026(2) Uani 1 1 d . . .
H10 H 0.3417 0.2569 0.6264 0.032 Uiso 1 1 calc R . .
C11 C 0.2187(9) 0.2020(8) 0.5266(9) 0.026(3) Uani 1 1 d . . .
C12 C 0.1490(10) 0.2161(8) 0.4312(12) 0.043(4) Uani 1 1 d . . .
H12 H 0.0984 0.1724 0.4070 0.051 Uiso 1 1 calc R . .
C13 C 0.1528(9) 0.2954(10) 0.3697(11) 0.039(3) Uani 1 1 d . . .
H13 H 0.1048 0.3045 0.3050 0.047 Uiso 1 1 calc R . .
C14 C 0.2272(8) 0.3598(8) 0.4049(9) 0.028(3) Uani 1 1 d . . .
H14 H 0.2290 0.4130 0.3641 0.033 Uiso 1 1 calc R . .
C15 C 0.3853(9) 0.4136(8) 0.5386(10) 0.030(3) Uani 1 1 d . . .
C16 C 0.2187(12) 0.1118(10) 0.5909(14) 0.051(4) Uani 1 1 d . . .
C17 C 0.8609(8) 0.0780(7) 0.8250(9) 0.023(2) Uani 1 1 d . . .
C18 C 0.9271(8) 0.0572(8) 0.7834(10) 0.027(2) Uani 1 1 d . . .
H18 H 0.9345 0.0998 0.7352 0.032 Uiso 1 1 calc R . .
C19 C 0.9825(8) -0.0260(8) 0.8126(9) 0.026(2) Uani 1 1 d . . .
C20 C 0.9724(9) -0.0900(8) 0.8847(10) 0.032(3) Uani 1 1 d . . .
H20 H 1.0112 -0.1451 0.9057 0.039 Uiso 1 1 calc R . .
C21 C 0.9066(9) -0.0727(9) 0.9245(9) 0.035(3) Uani 1 1 d . . .
H21 H 0.8977 -0.1177 0.9699 0.042 Uiso 1 1 calc R . .
C22 C 0.8513(9) 0.0131(8) 0.8977(9) 0.027(2) Uani 1 1 d . . .
H22 H 0.8083 0.0267 0.9282 0.032 Uiso 1 1 calc R . .
C23 C 0.7958(8) 0.1655(7) 0.7872(8) 0.022(2) Uani 1 1 d . . .
C24 C 1.0565(8) -0.0419(9) 0.7670(9) 0.030(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
_geom_angle_publ_flag
O8 Pb1 O11 75.9(4) 2_656 2_756 ?
O8 Pb1 O13 115.9(4) 2_656 . ?
O11 Pb1 O13 112.5(4) 2_756 . ?
O8 Pb1 O14 76.3(4) 2_656 . ?
O11 Pb1 O14 86.8(5) 2_756 . ?
O13 Pb1 O14 158.7(4) . . ?
O8 Pb1 O12 119.7(4) 2_656 2_756 ?
O11 Pb1 O12 48.0(3) 2_756 2_756 ?
O13 Pb1 O12 75.9(3) . 2_756 ?
O14 Pb1 O12 114.5(4) . 2_756 ?
O13 Pb2 O5 80.5(3) . . ?
O13 Pb2 O6 76.3(3) . 3_666 ?
O5 Pb2 O6 96.1(3) . 3_666 ?
O13 Pb2 O2 74.6(2) . . ?
O5 Pb2 O2 68.5(3) . . ?
O6 Pb2 O2 148.9(3) 3_666 . ?
O13 Pb2 O7 82.0(3) . 2_656 ?
O5 Pb2 O7 146.0(4) . 2_656 ?
O6 Pb2 O7 107.7(3) 3_666 2_656 ?
O2 Pb2 O7 78.8(3) . 2_656 ?
O13 Pb2 Pb3 38.56(18) . . ?
O5 Pb2 Pb3 51.0(2) . . ?
O6 Pb2 Pb3 103.8(2) 3_666 . ?
O2 Pb2 Pb3 45.40(17) . . ?
O7 Pb2 Pb3 98.8(3) 2_656 . ?
O13 Pb3 O9 87.1(3) . . ?
O13 Pb3 O2 74.2(3) . . ?
O9 Pb3 O2 124.8(3) . . ?
O13 Pb3 O3 72.7(2) . 2_646 ?
O9 Pb3 O3 85.5(3) . 2_646 ?
O2 Pb3 O3 133.1(2) . 2_646 ?
O13 Pb3 O1 78.7(3) . . ?
O9 Pb3 O1 75.7(3) . . ?
O2 Pb3 O1 50.1(3) . . ?
O3 Pb3 O1 146.4(2) 2_646 . ?
O13 Pb3 Pb2 37.91(17) . . ?
O9 Pb3 Pb2 123.0(2) . . ?
O2 Pb3 Pb2 45.45(18) . . ?
O3 Pb3 Pb2 88.98(16) 2_646 . ?
O1 Pb3 Pb2 78.70(17) . . ?
O13 Pb4 O3 77.6(3) . 2_646 ?
O13 Pb4 O10 82.8(3) . . ?
O3 Pb4 O10 78.2(3) 2_646 . ?
O13 Pb4 O12 83.1(3) . 2_756 ?
O3 Pb4 O12 144.5(3) 2_646 2_756 ?
O10 Pb4 O12 70.0(4) . 2_756 ?
C7 O1 Pb3 92.0(7) . . ?
C7 O2 Pb3 96.4(6) . . ?
C7 O2 Pb2 121.4(7) . . ?
Pb3 O2 Pb2 89.2(2) . . ?
C8 O3 Pb4 104.0(6) . 2_656 ?
C8 O3 Pb3 128.4(6) . 2_656 ?
Pb4 O3 Pb3 95.5(2) 2_656 2_656 ?
C15 O5 Pb2 110.9(7) . . ?
C15 O6 Pb2 121.1(8) . 3_666 ?
C16 O7 Pb2 161.9(11) . 2_646 ?
C16 O8 Pb1 109.3(11) . 2_646 ?
C23 O9 Pb3 127.5(8) . . ?
C23 O10 Pb4 141.4(8) . . ?
C24 O11 Pb1 101.9(8) . 2_746 ?
C24 O12 Pb4 164.8(11) . 2_746 ?
C24 O12 Pb1 88.1(8) . 2_746 ?
Pb4 O12 Pb1 89.9(3) 2_746 2_746 ?
Pb2 O13 Pb4 119.8(3) . . ?
Pb2 O13 Pb3 103.5(3) . . ?
Pb4 O13 Pb3 109.5(3) . . ?
Pb2 O13 Pb1 116.0(3) . . ?
Pb4 O13 Pb1 103.7(3) . . ?
Pb3 O13 Pb1 103.0(3) . . ?
C6 C1 C2 118.0(10) . . ?
C6 C1 C7 123.4(10) . . ?
C2 C1 C7 118.6(10) . . ?
C3 C2 C1 120.0(10) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 120.5(10) . . ?
C4 C3 C8 120.4(10) . . ?
C2 C3 C8 119.1(10) . . ?
C3 C4 C5 120.1(11) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.2(12) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C1 121.1(11) . . ?
C5 C6 H6 119.4 . . ?
C1 C6 H6 119.4 . . ?
O2 C7 O1 121.0(10) . . ?
O2 C7 C1 117.9(10) . . ?
O1 C7 C1 121.0(11) . . ?
O4 C8 O3 122.2(10) . . ?
O4 C8 C3 121.0(11) . . ?
O3 C8 C3 116.7(9) . . ?
C14 C9 C10 118.2(10) . . ?
C14 C9 C15 122.0(10) . . ?
C10 C9 C15 119.8(10) . . ?
C11 C10 C9 120.9(11) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C12 C11 C10 119.3(11) . . ?
C12 C11 C16 121.0(13) . . ?
C10 C11 C16 119.4(12) . . ?
C11 C12 C13 120.8(12) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 119.8(13) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C9 120.9(11) . . ?
C13 C14 H14 119.5 . . ?
C9 C14 H14 119.5 . . ?
O5 C15 O6 124.0(12) . . ?
O5 C15 C9 118.7(10) . . ?
O6 C15 C9 117.2(11) . . ?
O7 C16 O8 124.5(14) . . ?
O7 C16 C11 121.9(15) . . ?
O8 C16 C11 113.6(15) . . ?
C18 C17 C22 118.6(10) . . ?
C18 C17 C23 120.3(10) . . ?
C22 C17 C23 120.9(10) . . ?
C19 C18 C17 120.7(11) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 120.2(11) . . ?
C18 C19 C24 117.7(11) . . ?
C20 C19 C24 122.0(10) . . ?
C21 C20 C19 120.2(11) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.2(12) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 119.9(11) . . ?
C17 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
O10 C23 O9 124.1(11) . . ?
O10 C23 C17 117.0(10) . . ?
O9 C23 C17 118.9(10) . . ?
O11 C24 O12 120.1(12) . . ?
O11 C24 C19 122.1(11) . . ?
O12 C24 C19 117.7(12) . . ?
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 O8 2.367(11) 2_656 ?
Pb1 O11 2.475(10) 2_756 ?
Pb1 O13 2.557(8) . ?
Pb1 O14 2.655(12) . ?
Pb1 O12 2.734(11) 2_756 ?
Pb2 O13 2.255(7) . ?
Pb2 O5 2.454(8) . ?
Pb2 O6 2.537(9) 3_666 ?
Pb2 O2 2.543(8) . ?
Pb2 O7 2.668(12) 2_656 ?
Pb2 Pb3 3.5687(6) . ?
Pb3 O13 2.288(7) . ?
Pb3 O9 2.407(9) . ?
Pb3 O2 2.541(7) . ?
Pb3 O3 2.617(7) 2_646 ?
Pb3 O1 2.635(9) . ?
Pb4 O13 2.261(7) . ?
Pb4 O3 2.397(7) 2_646 ?
Pb4 O10 2.429(9) . ?
Pb4 O12 2.634(10) 2_756 ?
O1 C7 1.260(14) . ?
O2 C7 1.259(14) . ?
O3 C8 1.285(14) . ?
O3 Pb4 2.397(7) 2_656 ?
O3 Pb3 2.617(7) 2_656 ?
O4 C8 1.231(13) . ?
O5 C15 1.249(16) . ?
O6 C15 1.256(14) . ?
O6 Pb2 2.537(9) 3_666 ?
O7 C16 1.19(2) . ?
O7 Pb2 2.668(12) 2_646 ?
O8 C16 1.29(2) . ?
O8 Pb1 2.367(11) 2_646 ?
O9 C23 1.251(14) . ?
O10 C23 1.243(14) . ?
O11 C24 1.207(16) . ?
O11 Pb1 2.475(10) 2_746 ?
O12 C24 1.252(15) . ?
O12 Pb4 2.633(9) 2_746 ?
O12 Pb1 2.734(11) 2_746 ?
C1 C6 1.386(17) . ?
C1 C2 1.404(14) . ?
C1 C7 1.495(14) . ?
C2 C3 1.372(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.358(17) . ?
C3 C8 1.514(14) . ?
C4 C5 1.378(18) . ?
C4 H4 0.9300 . ?
C5 C6 1.355(17) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C9 C14 1.383(16) . ?
C9 C10 1.412(15) . ?
C9 C15 1.510(16) . ?
C10 C11 1.377(17) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(19) . ?
C11 C16 1.522(16) . ?
C12 C13 1.39(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.367(17) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C17 C18 1.378(16) . ?
C17 C22 1.398(16) . ?
C17 C23 1.509(15) . ?
C18 C19 1.377(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.387(17) . ?
C19 C24 1.514(16) . ?
C20 C21 1.345(18) . ?
C20 H20 0.9300 . ?
C21 C22 1.403(17) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
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
O5 Pb2 Pb3 O13 132.3(4) . . . . ?
O6 Pb2 Pb3 O13 45.6(4) 3_666 . . . ?
O2 Pb2 Pb3 O13 -129.8(4) . . . . ?
O7 Pb2 Pb3 O13 -65.2(4) 2_656 . . . ?
O13 Pb2 Pb3 O9 21.5(4) . . . . ?
O5 Pb2 Pb3 O9 153.8(4) . . . . ?
O6 Pb2 Pb3 O9 67.1(4) 3_666 . . . ?
O2 Pb2 Pb3 O9 -108.4(4) . . . . ?
O7 Pb2 Pb3 O9 -43.7(4) 2_656 . . . ?
O13 Pb2 Pb3 O2 129.8(4) . . . . ?
O5 Pb2 Pb3 O2 -97.9(4) . . . . ?
O6 Pb2 Pb3 O2 175.4(3) 3_666 . . . ?
O7 Pb2 Pb3 O2 64.6(3) 2_656 . . . ?
O13 Pb2 Pb3 O3 -62.5(4) . . . 2_646 ?
O5 Pb2 Pb3 O3 69.8(3) . . . 2_646 ?
O6 Pb2 Pb3 O3 -17.0(3) 3_666 . . 2_646 ?
O2 Pb2 Pb3 O3 167.6(3) . . . 2_646 ?
O7 Pb2 Pb3 O3 -127.7(3) 2_656 . . 2_646 ?
O13 Pb2 Pb3 O1 86.0(4) . . . . ?
O5 Pb2 Pb3 O1 -141.7(3) . . . . ?
O6 Pb2 Pb3 O1 131.6(3) 3_666 . . . ?
O2 Pb2 Pb3 O1 -43.8(3) . . . . ?
O7 Pb2 Pb3 O1 20.8(3) 2_656 . . . ?
O13 Pb3 O1 C7 82.5(6) . . . . ?
O9 Pb3 O1 C7 172.4(7) . . . . ?
O2 Pb3 O1 C7 3.8(6) . . . . ?
O3 Pb3 O1 C7 114.3(7) 2_646 . . . ?
Pb2 Pb3 O1 C7 43.8(6) . . . . ?
O13 Pb3 O2 C7 -92.1(7) . . . . ?
O9 Pb3 O2 C7 -17.2(8) . . . . ?
O3 Pb3 O2 C7 -138.6(6) 2_646 . . . ?
O1 Pb3 O2 C7 -3.8(6) . . . . ?
Pb2 Pb3 O2 C7 -121.5(7) . . . . ?
O13 Pb3 O2 Pb2 29.4(2) . . . . ?
O9 Pb3 O2 Pb2 104.3(4) . . . . ?
O3 Pb3 O2 Pb2 -17.1(4) 2_646 . . . ?
O1 Pb3 O2 Pb2 117.7(4) . . . . ?
O13 Pb2 O2 C7 67.3(8) . . . . ?
O5 Pb2 O2 C7 152.9(8) . . . . ?
O6 Pb2 O2 C7 88.4(9) 3_666 . . . ?
O7 Pb2 O2 C7 -17.4(8) 2_656 . . . ?
Pb3 Pb2 O2 C7 97.0(8) . . . . ?
O13 Pb2 O2 Pb3 -29.8(2) . . . . ?
O5 Pb2 O2 Pb3 55.9(3) . . . . ?
O6 Pb2 O2 Pb3 -8.6(6) 3_666 . . . ?
O7 Pb2 O2 Pb3 -114.4(3) 2_656 . . . ?
O13 Pb2 O5 C15 -140.0(9) . . . . ?
O6 Pb2 O5 C15 -65.1(8) 3_666 . . . ?
O2 Pb2 O5 C15 142.8(9) . . . . ?
O7 Pb2 O5 C15 160.0(8) 2_656 . . . ?
Pb3 Pb2 O5 C15 -167.9(9) . . . . ?
O13 Pb3 O9 C23 -50.1(10) . . . . ?
O2 Pb3 O9 C23 -118.5(9) . . . . ?
O3 Pb3 O9 C23 22.8(10) 2_646 . . . ?
O1 Pb3 O9 C23 -129.1(10) . . . . ?
Pb2 Pb3 O9 C23 -63.1(10) . . . . ?
O13 Pb4 O10 C23 38.3(14) . . . . ?
O3 Pb4 O10 C23 -40.4(13) 2_646 . . . ?
O12 Pb4 O10 C23 123.6(14) 2_756 . . . ?
O5 Pb2 O13 Pb4 86.6(4) . . . . ?
O6 Pb2 O13 Pb4 -12.1(3) 3_666 . . . ?
O2 Pb2 O13 Pb4 156.8(4) . . . . ?
O7 Pb2 O13 Pb4 -122.7(4) 2_656 . . . ?
Pb3 Pb2 O13 Pb4 122.3(5) . . . . ?
O5 Pb2 O13 Pb3 -35.7(3) . . . . ?
O6 Pb2 O13 Pb3 -134.4(4) 3_666 . . . ?
O2 Pb2 O13 Pb3 34.5(3) . . . . ?
O7 Pb2 O13 Pb3 115.1(4) 2_656 . . . ?
O5 Pb2 O13 Pb1 -147.7(4) . . . . ?
O6 Pb2 O13 Pb1 113.6(4) 3_666 . . . ?
O2 Pb2 O13 Pb1 -77.5(3) . . . . ?
O7 Pb2 O13 Pb1 3.0(4) 2_656 . . . ?
Pb3 Pb2 O13 Pb1 -112.0(4) . . . . ?
O3 Pb4 O13 Pb2 -100.9(4) 2_646 . . . ?
O10 Pb4 O13 Pb2 179.7(4) . . . . ?
O12 Pb4 O13 Pb2 109.1(4) 2_756 . . . ?
O3 Pb4 O13 Pb3 18.5(3) 2_646 . . . ?
O10 Pb4 O13 Pb3 -61.0(4) . . . . ?
O12 Pb4 O13 Pb3 -131.6(4) 2_756 . . . ?
O3 Pb4 O13 Pb1 127.8(3) 2_646 . . . ?
O10 Pb4 O13 Pb1 48.4(3) . . . . ?
O12 Pb4 O13 Pb1 -22.3(3) 2_756 . . . ?
O9 Pb3 O13 Pb2 -162.1(3) . . . . ?
O2 Pb3 O13 Pb2 -34.7(3) . . . . ?
O3 Pb3 O13 Pb2 111.7(3) 2_646 . . . ?
O1 Pb3 O13 Pb2 -86.1(3) . . . . ?
O9 Pb3 O13 Pb4 69.0(3) . . . . ?
O2 Pb3 O13 Pb4 -163.6(4) . . . . ?
O3 Pb3 O13 Pb4 -17.2(3) 2_646 . . . ?
O1 Pb3 O13 Pb4 145.0(3) . . . . ?
Pb2 Pb3 O13 Pb4 -128.9(5) . . . . ?
O9 Pb3 O13 Pb1 -40.8(3) . . . . ?
O2 Pb3 O13 Pb1 86.6(3) . . . . ?
O3 Pb3 O13 Pb1 -127.1(3) 2_646 . . . ?
O1 Pb3 O13 Pb1 35.1(2) . . . . ?
Pb2 Pb3 O13 Pb1 121.2(4) . . . . ?
O8 Pb1 O13 Pb2 4.8(5) 2_656 . . . ?
O11 Pb1 O13 Pb2 -80.0(4) 2_756 . . . ?
O14 Pb1 O13 Pb2 126.3(9) . . . . ?
O12 Pb1 O13 Pb2 -111.6(4) 2_756 . . . ?
O8 Pb1 O13 Pb4 138.4(4) 2_656 . . . ?
O11 Pb1 O13 Pb4 53.6(4) 2_756 . . . ?
O14 Pb1 O13 Pb4 -100.1(10) . . . . ?
O12 Pb1 O13 Pb4 21.9(3) 2_756 . . . ?
O8 Pb1 O13 Pb3 -107.5(4) 2_656 . . . ?
O11 Pb1 O13 Pb3 167.7(3) 2_756 . . . ?
O14 Pb1 O13 Pb3 14.0(11) . . . . ?
O12 Pb1 O13 Pb3 136.1(4) 2_756 . . . ?
C6 C1 C2 C3 2.1(15) . . . . ?
C7 C1 C2 C3 179.1(9) . . . . ?
C1 C2 C3 C4 0.4(15) . . . . ?
C1 C2 C3 C8 179.5(9) . . . . ?
C2 C3 C4 C5 -2.8(17) . . . . ?
C8 C3 C4 C5 178.1(11) . . . . ?
C3 C4 C5 C6 3(2) . . . . ?
C4 C5 C6 C1 0(2) . . . . ?
C2 C1 C6 C5 -2.2(18) . . . . ?
C7 C1 C6 C5 -179.1(11) . . . . ?
Pb3 O2 C7 O1 7.1(11) . . . . ?
Pb2 O2 C7 O1 -85.9(12) . . . . ?
Pb3 O2 C7 C1 -172.3(8) . . . . ?
Pb2 O2 C7 C1 94.8(10) . . . . ?
Pb3 O1 C7 O2 -6.8(11) . . . . ?
Pb3 O1 C7 C1 172.5(9) . . . . ?
C6 C1 C7 O2 -179.1(11) . . . . ?
C2 C1 C7 O2 4.0(15) . . . . ?
C6 C1 C7 O1 1.5(17) . . . . ?
C2 C1 C7 O1 -175.3(10) . . . . ?
Pb4 O3 C8 O4 -6.4(11) 2_656 . . . ?
Pb3 O3 C8 O4 102.5(11) 2_656 . . . ?
Pb4 O3 C8 C3 170.0(7) 2_656 . . . ?
Pb3 O3 C8 C3 -81.0(10) 2_656 . . . ?
C4 C3 C8 O4 -3.6(15) . . . . ?
C2 C3 C8 O4 177.2(10) . . . . ?
C4 C3 C8 O3 179.9(10) . . . . ?
C2 C3 C8 O3 0.7(14) . . . . ?
C14 C9 C10 C11 0.8(17) . . . . ?
C15 C9 C10 C11 -177.3(10) . . . . ?
C9 C10 C11 C12 0.2(18) . . . . ?
C9 C10 C11 C16 175.2(10) . . . . ?
C10 C11 C12 C13 -0.7(19) . . . . ?
C16 C11 C12 C13 -175.7(12) . . . . ?
C11 C12 C13 C14 0(2) . . . . ?
C12 C13 C14 C9 0.9(19) . . . . ?
C10 C9 C14 C13 -1.4(17) . . . . ?
C15 C9 C14 C13 176.7(11) . . . . ?
Pb2 O5 C15 O6 8.8(15) . . . . ?
Pb2 O5 C15 C9 -173.5(8) . . . . ?
Pb2 O6 C15 O5 95.2(13) 3_666 . . . ?
Pb2 O6 C15 C9 -82.6(12) 3_666 . . . ?
C14 C9 C15 O5 -170.0(11) . . . . ?
C10 C9 C15 O5 8.0(16) . . . . ?
C14 C9 C15 O6 7.8(16) . . . . ?
C10 C9 C15 O6 -174.2(10) . . . . ?
Pb2 O7 C16 O8 68(4) 2_646 . . . ?
Pb2 O7 C16 C11 -112(3) 2_646 . . . ?
Pb1 O8 C16 O7 -8.9(19) 2_646 . . . ?
Pb1 O8 C16 C11 171.4(8) 2_646 . . . ?
C12 C11 C16 O7 179.9(14) . . . . ?
C10 C11 C16 O7 5.0(19) . . . . ?
C12 C11 C16 O8 -0.4(18) . . . . ?
C10 C11 C16 O8 -175.3(12) . . . . ?
C22 C17 C18 C19 0.3(17) . . . . ?
C23 C17 C18 C19 -175.7(11) . . . . ?
C17 C18 C19 C20 -0.2(18) . . . . ?
C17 C18 C19 C24 -177.6(11) . . . . ?
C18 C19 C20 C21 1.8(18) . . . . ?
C24 C19 C20 C21 179.2(11) . . . . ?
C19 C20 C21 C22 -3.5(19) . . . . ?
C18 C17 C22 C21 -1.9(18) . . . . ?
C23 C17 C22 C21 174.0(11) . . . . ?
C20 C21 C22 C17 3.6(19) . . . . ?
Pb4 O10 C23 O9 -20(2) . . . . ?
Pb4 O10 C23 C17 160.2(9) . . . . ?
Pb3 O9 C23 O10 25.9(17) . . . . ?
Pb3 O9 C23 C17 -154.1(8) . . . . ?
C18 C17 C23 O10 5.8(16) . . . . ?
C22 C17 C23 O10 -170.1(11) . . . . ?
C18 C17 C23 O9 -174.2(11) . . . . ?
C22 C17 C23 O9 9.9(16) . . . . ?
Pb1 O11 C24 O12 15.1(16) 2_746 . . . ?
Pb1 O11 C24 C19 -166.8(9) 2_746 . . . ?
Pb4 O12 C24 O11 69(4) 2_746 . . . ?
Pb1 O12 C24 O11 -13.4(14) 2_746 . . . ?
Pb4 O12 C24 C19 -109(3) 2_746 . . . ?
Pb1 O12 C24 C19 168.4(10) 2_746 . . . ?
C18 C19 C24 O11 -18.7(19) . . . . ?
C20 C19 C24 O11 163.9(14) . . . . ?
C18 C19 C24 O12 159.5(13) . . . . ?
C20 C19 C24 O12 -17.9(18) . . . . ?
