#------------------------------------------------------------------------------
#$Date: 2021-11-17 02:07:29 +0200 (Wed, 17 Nov 2021) $
#$Revision: 270704 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/88/7708846.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_7708846
loop_
_publ_author_name
'Ornelas, Alfredo'
'Arias-Ugarte, Renzo'
'Metta-Magaña, Alejandro J'
'Sharma, Hemant K.'
'Pannell, Keith H.'
_publ_section_title
;
 Hypercoordinated eka-tin materials with dangling aryl-methoxy and
 -methylthio ligands exhibiting intramolecular secondary bonding and aryl
 bond stabilization in reactions with organotin chlorides.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16084
_journal_page_last               16091
_journal_paper_doi               10.1039/d1dt02781f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C14 H14 Cl2 O Pb'
_chemical_formula_sum            'C14 H14 Cl2 O Pb'
_chemical_formula_weight         476.34
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     other
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-06-01 deposited with the CCDC.	2021-10-22 downloaded from the CCDC.
;
_cell_angle_alpha                92.338(13)
_cell_angle_beta                 92.354(13)
_cell_angle_gamma                103.584(12)
_cell_formula_units_Z            4
_cell_length_a                   9.472(7)
_cell_length_b                   10.068(7)
_cell_length_c                   15.829(12)
_cell_measurement_reflns_used    3044
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.225
_cell_measurement_theta_min      2.511
_cell_volume                     1464.1(19)
_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-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_unetI/netI     0.0752
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18255
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.978
_diffrn_reflns_theta_min         1.289
_diffrn_source                   'fine-focus x-ray tube'
_exptl_absorpt_coefficient_mu    11.873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.161
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.104
_exptl_crystal_size_mid          0.033
_exptl_crystal_size_min          0.013
_exptl_transmission_factor_max   0.870
_exptl_transmission_factor_min   0.704
_refine_diff_density_max         1.438
_refine_diff_density_min         -1.197
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         7980
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0204P)²+3.7335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.1077
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5052
_reflns_number_total             7980
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02781f2.cif
_cod_data_source_block           1602KP_0mS_a
_cod_original_cell_volume        1464.2(18)
_cod_database_code               7708846
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.47867(4) 0.63134(3) 0.75408(2) 0.04141(10) Uani 1 1 d . . . . .
Pb2 Pb 0.47117(4) 0.13041(3) 0.74454(2) 0.03941(10) Uani 1 1 d . . . . .
Cl2 Cl 0.5548(3) 0.4137(2) 0.81667(14) 0.0475(5) Uani 1 1 d . . . . .
Cl3 Cl 0.6102(3) 0.0645(3) 0.86894(14) 0.0521(6) Uani 1 1 d . . . . .
Cl4 Cl 0.4010(3) -0.1276(2) 0.68364(14) 0.0472(5) Uani 1 1 d . . . . .
Cl1 Cl 0.3420(3) 0.4899(3) 0.62812(16) 0.0665(7) Uani 1 1 d . . . . .
O1 O 0.5764(7) 0.7203(7) 0.9013(4) 0.0557(17) Uani 1 1 d . . . . .
O2 O 0.3626(7) 0.1586(7) 0.5972(4) 0.0582(18) Uani 1 1 d . . . . .
C1 C 0.2972(9) 0.6280(8) 0.8319(5) 0.0386(19) Uani 1 1 d . . . . .
C15 C 0.6462(9) 0.1979(8) 0.6623(5) 0.0384(19) Uani 1 1 d . . . . .
C25 C 0.0854(11) -0.0102(10) 0.8870(6) 0.056(3) Uani 1 1 d . . . . .
H25 H 0.044171 -0.089508 0.913843 0.067 Uiso 1 1 calc R U . . .
C6 C 0.1563(10) 0.5918(10) 0.7952(6) 0.055(2) Uani 1 1 d . . . . .
H6 H 0.140184 0.567848 0.737682 0.066 Uiso 1 1 calc R U . . .
C23 C 0.2684(9) 0.1157(9) 0.8054(5) 0.040(2) Uani 1 1 d . . . . .
C9 C 0.6907(9) 0.7019(9) 0.7032(5) 0.043(2) Uani 1 1 d . . . . .
C24 C 0.2110(11) -0.0032(10) 0.8467(6) 0.053(2) Uani 1 1 d . . . . .
H24 H 0.256923 -0.075339 0.846681 0.064 Uiso 1 1 calc R U . . .
C16 C 0.7899(10) 0.2248(10) 0.6982(6) 0.054(3) Uani 1 1 d . . . . .
H16 H 0.806264 0.210705 0.755106 0.065 Uiso 1 1 calc R U . . .
C28 C 0.2016(9) 0.2240(9) 0.8070(5) 0.045(2) Uani 1 1 d . . . . .
H28 H 0.241208 0.303295 0.779789 0.054 Uiso 1 1 calc R U . . .
C17 C 0.9039(11) 0.2712(10) 0.6493(6) 0.057(3) Uani 1 1 d . . . . .
H17 H 0.998585 0.289531 0.672609 0.068 Uiso 1 1 calc R U . . .
C14 C 0.7667(11) 0.8359(10) 0.7188(6) 0.056(3) Uani 1 1 d . . . . .
H14 H 0.726090 0.898153 0.748473 0.067 Uiso 1 1 calc R U . . .
C2 C 0.3212(10) 0.6602(9) 0.9172(6) 0.048(2) Uani 1 1 d . . . . .
C11 C 0.8871(12) 0.6511(11) 0.6296(7) 0.065(3) Uani 1 1 d . . . . .
H11 H 0.927845 0.589871 0.599011 0.078 Uiso 1 1 calc R U . . .
C26 C 0.0182(10) 0.0964(10) 0.8893(6) 0.054(2) Uani 1 1 d . . . . .
H26 H -0.066785 0.089220 0.917982 0.064 Uiso 1 1 calc R U . . .
C27 C 0.0759(10) 0.2129(10) 0.8494(6) 0.054(2) Uani 1 1 d . . . . .
H27 H 0.030081 0.285131 0.850938 0.064 Uiso 1 1 calc R U . . .
C10 C 0.7496(11) 0.6090(10) 0.6585(6) 0.057(3) Uani 1 1 d . . . . .
H10 H 0.696864 0.519110 0.648091 0.069 Uiso 1 1 calc R U . . .
C20 C 0.6204(11) 0.2212(9) 0.5786(5) 0.048(2) Uani 1 1 d . . . . .
C12 C 0.9631(12) 0.7825(11) 0.6459(6) 0.065(3) Uani 1 1 d . . . . .
H12 H 1.056817 0.810197 0.627221 0.078 Uiso 1 1 calc R U . . .
C5 C 0.0409(11) 0.5920(10) 0.8459(8) 0.067(3) Uani 1 1 d . . . . .
H5 H -0.053385 0.570129 0.821811 0.080 Uiso 1 1 calc R U . . .
C3 C 0.2018(12) 0.6574(11) 0.9659(6) 0.061(3) Uani 1 1 d . . . . .
H3 H 0.216778 0.678669 1.023784 0.073 Uiso 1 1 calc R U . . .
C4 C 0.0636(12) 0.6241(10) 0.9309(7) 0.066(3) Uani 1 1 d . . . . .
H4 H -0.014770 0.623175 0.964559 0.080 Uiso 1 1 calc R U . . .
C18 C 0.8790(11) 0.2908(10) 0.5663(6) 0.062(3) Uani 1 1 d . . . . .
H18 H 0.957585 0.320296 0.532852 0.074 Uiso 1 1 calc R U . . .
C19 C 0.7421(12) 0.2683(11) 0.5310(6) 0.063(3) Uani 1 1 d . . . . .
H19 H 0.728682 0.284422 0.474108 0.076 Uiso 1 1 calc R U . . .
C13 C 0.9042(12) 0.8749(11) 0.6893(6) 0.065(3) Uani 1 1 d . . . . .
H13 H 0.957464 0.964817 0.698868 0.078 Uiso 1 1 calc R U . . .
C7 C 0.4698(11) 0.7053(13) 0.9600(6) 0.074(3) Uani 1 1 d . . . . .
H7A H 0.478235 0.791787 0.991435 0.089 Uiso 1 1 calc R U . . .
H7B H 0.483881 0.638250 0.999794 0.089 Uiso 1 1 calc R U . . .
C8 C 0.7163(11) 0.7432(12) 0.9393(7) 0.084(4) Uani 1 1 d . . . . .
H8A H 0.735111 0.824626 0.975824 0.126 Uiso 1 1 calc R U . . .
H8B H 0.786200 0.754240 0.896344 0.126 Uiso 1 1 calc R U . . .
H8C H 0.723829 0.666616 0.971914 0.126 Uiso 1 1 calc R U . . .
C21 C 0.4713(11) 0.1975(11) 0.5371(6) 0.064(3) Uani 1 1 d . . . . .
H21A H 0.459909 0.280475 0.511487 0.076 Uiso 1 1 calc R U . . .
H21B H 0.459034 0.125971 0.492625 0.076 Uiso 1 1 calc R U . . .
C22 C 0.2243(11) 0.1232(12) 0.5586(8) 0.084(4) Uani 1 1 d . . . . .
H22A H 0.204377 0.200581 0.531204 0.125 Uiso 1 1 calc R U . . .
H22B H 0.154362 0.095166 0.600555 0.125 Uiso 1 1 calc R U . . .
H22C H 0.218015 0.049114 0.517406 0.125 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.1484 0.1585 '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'
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
_geom_angle_publ_flag
C1 Pb1 C9 159.4(3) . . ?
C1 Pb1 O1 71.8(3) . . ?
C9 Pb1 O1 91.7(3) . . ?
C1 Pb1 Cl1 98.2(2) . . ?
C9 Pb1 Cl1 100.4(2) . . ?
O1 Pb1 Cl1 164.52(17) . . ?
C1 Pb1 Cl2 96.8(2) . . ?
C9 Pb1 Cl2 91.5(2) . . ?
O1 Pb1 Cl2 77.98(16) . . ?
Cl1 Pb1 Cl2 91.90(9) . . ?
C1 Pb1 Cl4 84.4(2) . 1_565 ?
C9 Pb1 Cl4 87.3(2) . 1_565 ?
O1 Pb1 Cl4 102.10(16) . 1_565 ?
Cl1 Pb1 Cl4 88.27(9) . 1_565 ?
Cl2 Pb1 Cl4 178.78(7) . 1_565 ?
C15 Pb2 C23 160.4(3) . . ?
C15 Pb2 Cl3 99.9(2) . . ?
C23 Pb2 Cl3 96.8(2) . . ?
C15 Pb2 O2 71.4(3) . . ?
C23 Pb2 O2 94.0(3) . . ?
Cl3 Pb2 O2 165.59(16) . . ?
C15 Pb2 Cl4 95.8(2) . . ?
C23 Pb2 Cl4 94.1(2) . . ?
Cl3 Pb2 Cl4 90.52(8) . . ?
O2 Pb2 Cl4 79.23(16) . . ?
C15 Pb2 Cl2 84.4(2) . . ?
C23 Pb2 Cl2 86.2(2) . . ?
Cl3 Pb2 Cl2 87.57(8) . . ?
O2 Pb2 Cl2 102.63(16) . . ?
Cl4 Pb2 Cl2 178.09(6) . . ?
Pb1 Cl2 Pb2 126.63(9) . . ?
Pb2 Cl4 Pb1 128.75(9) . 1_545 ?
C7 O1 C8 112.5(8) . . ?
C7 O1 Pb1 113.3(6) . . ?
C8 O1 Pb1 131.1(6) . . ?
C22 O2 C21 111.7(8) . . ?
C22 O2 Pb2 134.7(7) . . ?
C21 O2 Pb2 112.5(5) . . ?
C2 C1 C6 120.7(8) . . ?
C2 C1 Pb1 119.7(7) . . ?
C6 C1 Pb1 119.5(7) . . ?
C20 C15 C16 120.7(8) . . ?
C20 C15 Pb2 121.6(7) . . ?
C16 C15 Pb2 117.6(6) . . ?
C24 C25 C26 121.8(9) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C5 C6 C1 118.8(10) . . ?
C5 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
C28 C23 C24 121.0(8) . . ?
C28 C23 Pb2 120.9(6) . . ?
C24 C23 Pb2 118.0(6) . . ?
C14 C9 C10 121.3(9) . . ?
C14 C9 Pb1 119.9(7) . . ?
C10 C9 Pb1 118.8(7) . . ?
C25 C24 C23 117.8(9) . . ?
C25 C24 H24 121.1 . . ?
C23 C24 H24 121.1 . . ?
C17 C16 C15 119.8(9) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C27 C28 C23 119.2(9) . . ?
C27 C28 H28 120.4 . . ?
C23 C28 H28 120.4 . . ?
C18 C17 C16 119.7(10) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C13 C14 C9 118.1(9) . . ?
C13 C14 H14 120.9 . . ?
C9 C14 H14 120.9 . . ?
C1 C2 C3 118.4(9) . . ?
C1 C2 C7 123.4(8) . . ?
C3 C2 C7 118.1(9) . . ?
C12 C11 C10 119.6(10) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C27 C26 C25 120.0(9) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.2(9) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C11 C10 C9 119.3(10) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C15 C20 C19 117.1(9) . . ?
C15 C20 C21 123.4(9) . . ?
C19 C20 C21 119.5(8) . . ?
C11 C12 C13 121.2(10) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C4 C5 C6 120.9(10) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C4 C3 C2 121.6(10) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 119.5(10) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C17 C18 C19 121.5(10) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C18 C19 C20 121.2(9) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C12 C13 C14 120.5(10) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
O1 C7 C2 110.9(8) . . ?
O1 C7 H7A 109.5 . . ?
C2 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 108.0 . . ?
O1 C8 H8A 109.5 . . ?
O1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O2 C21 C20 110.9(8) . . ?
O2 C21 H21A 109.5 . . ?
C20 C21 H21A 109.5 . . ?
O2 C21 H21B 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 108.0 . . ?
O2 C22 H22A 109.5 . . ?
O2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 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 C1 2.151(8) . ?
Pb1 C9 2.167(9) . ?
Pb1 O1 2.520(6) . ?
Pb1 Cl1 2.523(3) . ?
Pb1 Cl2 2.676(3) . ?
Pb1 Cl4 2.944(3) 1_565 ?
Pb2 C15 2.151(8) . ?
Pb2 C23 2.160(8) . ?
Pb2 Cl3 2.521(2) . ?
Pb2 O2 2.563(6) . ?
Pb2 Cl4 2.655(3) . ?
Pb2 Cl2 2.944(3) . ?
O1 C7 1.387(11) . ?
O1 C8 1.398(11) . ?
O2 C22 1.384(11) . ?
O2 C21 1.428(11) . ?
C1 C2 1.372(11) . ?
C1 C6 1.394(12) . ?
C15 C20 1.377(11) . ?
C15 C16 1.414(12) . ?
C25 C24 1.362(13) . ?
C25 C26 1.370(13) . ?
C25 H25 0.9300 . ?
C6 C5 1.382(13) . ?
C6 H6 0.9300 . ?
C23 C28 1.383(11) . ?
C23 C24 1.394(12) . ?
C9 C14 1.379(12) . ?
C9 C10 1.382(11) . ?
C24 H24 0.9300 . ?
C16 C17 1.359(12) . ?
C16 H16 0.9300 . ?
C28 C27 1.375(12) . ?
C28 H28 0.9300 . ?
C17 C18 1.355(13) . ?
C17 H17 0.9300 . ?
C14 C13 1.377(13) . ?
C14 H14 0.9300 . ?
C2 C3 1.390(12) . ?
C2 C7 1.498(13) . ?
C11 C12 1.359(14) . ?
C11 C10 1.375(13) . ?
C11 H11 0.9300 . ?
C26 C27 1.365(12) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C10 H10 0.9300 . ?
C20 C19 1.402(13) . ?
C20 C21 1.495(12) . ?
C12 C13 1.368(13) . ?
C12 H12 0.9300 . ?
C5 C4 1.367(14) . ?
C5 H5 0.9300 . ?
C3 C4 1.361(14) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C18 C19 1.355(13) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C13 H13 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
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
C2 C1 C6 C5 1.6(14) . . . . ?
Pb1 C1 C6 C5 -179.1(7) . . . . ?
C26 C25 C24 C23 -1.5(15) . . . . ?
C28 C23 C24 C25 1.4(14) . . . . ?
Pb2 C23 C24 C25 178.1(7) . . . . ?
C20 C15 C16 C17 -1.4(14) . . . . ?
Pb2 C15 C16 C17 -178.2(7) . . . . ?
C24 C23 C28 C27 -0.7(13) . . . . ?
Pb2 C23 C28 C27 -177.3(7) . . . . ?
C15 C16 C17 C18 -0.3(15) . . . . ?
C10 C9 C14 C13 -0.6(15) . . . . ?
Pb1 C9 C14 C13 176.6(7) . . . . ?
C6 C1 C2 C3 -0.7(13) . . . . ?
Pb1 C1 C2 C3 179.9(7) . . . . ?
C6 C1 C2 C7 -177.5(9) . . . . ?
Pb1 C1 C2 C7 3.1(12) . . . . ?
C24 C25 C26 C27 0.9(15) . . . . ?
C25 C26 C27 C28 -0.1(14) . . . . ?
C23 C28 C27 C26 0.0(13) . . . . ?
C12 C11 C10 C9 0.5(16) . . . . ?
C14 C9 C10 C11 0.5(15) . . . . ?
Pb1 C9 C10 C11 -176.8(8) . . . . ?
C16 C15 C20 C19 1.8(13) . . . . ?
Pb2 C15 C20 C19 178.4(7) . . . . ?
C16 C15 C20 C21 -178.8(9) . . . . ?
Pb2 C15 C20 C21 -2.1(12) . . . . ?
C10 C11 C12 C13 -1.3(17) . . . . ?
C1 C6 C5 C4 -1.5(15) . . . . ?
C1 C2 C3 C4 -0.2(15) . . . . ?
C7 C2 C3 C4 176.7(10) . . . . ?
C2 C3 C4 C5 0.3(16) . . . . ?
C6 C5 C4 C3 0.6(16) . . . . ?
C16 C17 C18 C19 1.7(17) . . . . ?
C17 C18 C19 C20 -1.3(17) . . . . ?
C15 C20 C19 C18 -0.5(15) . . . . ?
C21 C20 C19 C18 -179.9(10) . . . . ?
C11 C12 C13 C14 1.1(17) . . . . ?
C9 C14 C13 C12 -0.2(16) . . . . ?
C8 O1 C7 C2 -171.5(9) . . . . ?
Pb1 O1 C7 C2 -9.0(11) . . . . ?
C1 C2 C7 O1 4.9(15) . . . . ?
C3 C2 C7 O1 -171.9(9) . . . . ?
C22 O2 C21 C20 -174.0(8) . . . . ?
Pb2 O2 C21 C20 -4.2(10) . . . . ?
C15 C20 C21 O2 4.4(13) . . . . ?
C19 C20 C21 O2 -176.2(8) . . . . ?
