#------------------------------------------------------------------------------
#$Date: 2019-11-03 16:19:40 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221849 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/87/4128785.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_4128785
loop_
_publ_author_name
'Queen, Joshua D.'
'Bursch, Markus'
'Seibert, Jakob'
'Maurer, Leonard R.'
'Ellis, Bobby D.'
'Fettinger, James C.'
'Grimme, Stefan'
'Power, Philip P.'
_publ_section_title
;
 Isolation and Computational Studies of a Series of Terphenyl Substituted
 Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.
;
_journal_issue                   36
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14370
_journal_page_last               14383
_journal_paper_doi               10.1021/jacs.9b07072
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         'C66 H90 Br2 Pb2 Si2'
_chemical_formula_sum            'C66 H90 Br2 Pb2 Si2'
_chemical_formula_weight         1513.76
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Light-sensitive
_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
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-04-15 deposited with the CCDC.	2019-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                94.5630(12)
_cell_angle_beta                 103.1496(10)
_cell_angle_gamma                114.1017(10)
_cell_formula_units_Z            1
_cell_length_a                   11.3682(9)
_cell_length_b                   12.7595(10)
_cell_length_c                   12.9493(10)
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.77
_cell_volume                     1637.9(2)
_computing_cell_refinement       'SAINT (8.37a) (Bruker, 2016)'
_computing_data_collection       'Apex2 (2014.9-1) (Bruker, 2014)'
_computing_data_reduction        'SAINT (8.37a) (Bruker, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7514
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         1.782
_exptl_absorpt_coefficient_mu    6.425
_exptl_absorpt_correction_T_max  0.2698
_exptl_absorpt_correction_T_min  0.1353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Sheldrick, 2016)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       Plate
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.312
_exptl_crystal_size_min          0.078
_refine_diff_density_max         3.613
_refine_diff_density_min         -1.892
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         7514
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0402
_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)+(0.0556P)²+8.4331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1091
_refine_ls_wR_factor_ref         0.1100
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7230
_reflns_number_total             7514
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b07072_si_007.cif
_cod_data_source_block           JQ69TW53
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4128785
_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. 
;
_shelx_estimated_absorpt_t_min   0.135
_shelx_estimated_absorpt_t_max   0.634
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
Pb1 Pb 0.90810(2) 0.45005(2) 0.33126(2) 0.02304(8) Uani 1 1 d . .
Br1 Br 0.93310(5) 0.63096(5) 0.49660(5) 0.01843(12) Uani 1 1 d . .
Si1 Si 0.20717(17) 0.13285(17) 0.20312(15) 0.0228(4) Uani 1 1 d . .
C1 C 0.6806(6) 0.3424(5) 0.3136(5) 0.0181(11) Uani 1 1 d . .
C2 C 0.6049(7) 0.3481(6) 0.2125(5) 0.0189(12) Uani 1 1 d . .
C3 C 0.4654(7) 0.2924(6) 0.1815(5) 0.0208(12) Uani 1 1 d . .
H3 H 0.416770 0.301046 0.115309 0.025 Uiso 1 1 calc R U
C4 C 0.3952(6) 0.2236(6) 0.2465(5) 0.0190(12) Uani 1 1 d . .
C5 C 0.4711(6) 0.2154(6) 0.3444(5) 0.0203(12) Uani 1 1 d . .
H5 H 0.425486 0.166617 0.388096 0.024 Uiso 1 1 calc R U
C6 C 0.6114(6) 0.2761(6) 0.3805(5) 0.0180(11) Uani 1 1 d . .
C7 C 0.6811(6) 0.4092(6) 0.1365(5) 0.0200(12) Uani 1 1 d . .
C8 C 0.7259(6) 0.5293(7) 0.1381(5) 0.0244(13) Uani 1 1 d . .
C9 C 0.8106(7) 0.5821(7) 0.0754(6) 0.0287(14) Uani 1 1 d . .
H9 H 0.844689 0.664198 0.078663 0.034 Uiso 1 1 calc R U
C10 C 0.8451(8) 0.5169(8) 0.0092(6) 0.0327(16) Uani 1 1 d . .
H10 H 0.903148 0.554661 -0.032438 0.039 Uiso 1 1 calc R U
C11 C 0.7967(7) 0.3974(8) 0.0023(6) 0.0301(16) Uani 1 1 d . .
H11 H 0.820163 0.353610 -0.045108 0.036 Uiso 1 1 calc R U
C12 C 0.7123(6) 0.3398(6) 0.0654(5) 0.0226(13) Uani 1 1 d . .
C13 C 0.6835(7) 0.6037(6) 0.2071(5) 0.0241(13) Uani 1 1 d . .
H13 H 0.664069 0.565919 0.269956 0.029 Uiso 1 1 calc R U
C14 C 0.7897(9) 0.7296(7) 0.2513(8) 0.0401(18) Uani 1 1 d . .
H14A H 0.873857 0.730043 0.292079 0.060 Uiso 1 1 calc R U
H14B H 0.758566 0.769338 0.299094 0.060 Uiso 1 1 calc R U
H14C H 0.804841 0.770510 0.191181 0.060 Uiso 1 1 calc R U
C15 C 0.5516(9) 0.6001(9) 0.1379(6) 0.040(2) Uani 1 1 d . .
H15A H 0.568522 0.638147 0.076421 0.061 Uiso 1 1 calc R U
H15B H 0.518292 0.641345 0.181970 0.061 Uiso 1 1 calc R U
H15C H 0.484284 0.518522 0.111180 0.061 Uiso 1 1 calc R U
C16 C 0.6608(7) 0.2086(7) 0.0565(6) 0.0282(15) Uani 1 1 d . .
H16 H 0.596954 0.182892 0.101312 0.034 Uiso 1 1 calc R U
C17 C 0.7758(10) 0.1758(8) 0.1009(7) 0.042(2) Uani 1 1 d . .
H17A H 0.740383 0.090395 0.089849 0.062 Uiso 1 1 calc R U
H17B H 0.815990 0.209245 0.178280 0.062 Uiso 1 1 calc R U
H17C H 0.844287 0.206747 0.062782 0.062 Uiso 1 1 calc R U
C18 C 0.5831(9) 0.1439(8) -0.0612(6) 0.0391(18) Uani 1 1 d . .
H18A H 0.509951 0.165643 -0.087791 0.059 Uiso 1 1 calc R U
H18B H 0.545598 0.059226 -0.064111 0.059 Uiso 1 1 calc R U
H18C H 0.644324 0.165673 -0.106561 0.059 Uiso 1 1 calc R U
C19 C 0.6812(6) 0.2633(6) 0.4893(5) 0.0200(12) Uani 1 1 d . .
C20 C 0.7251(6) 0.1740(6) 0.4951(5) 0.0215(12) Uani 1 1 d . .
C21 C 0.7904(7) 0.1647(7) 0.5987(6) 0.0284(14) Uani 1 1 d . .
H21 H 0.821903 0.106412 0.604836 0.034 Uiso 1 1 calc R U
C22 C 0.8086(7) 0.2374(7) 0.6892(6) 0.0314(15) Uani 1 1 d . .
H22 H 0.855113 0.230782 0.757336 0.038 Uiso 1 1 calc R U
C23 C 0.7602(7) 0.3221(7) 0.6840(5) 0.0285(14) Uani 1 1 d . .
H23 H 0.772211 0.371257 0.748388 0.034 Uiso 1 1 calc R U
C24 C 0.6936(6) 0.3343(6) 0.5833(5) 0.0221(12) Uani 1 1 d . .
C25 C 0.6985(8) 0.0870(7) 0.3938(6) 0.0278(14) Uani 1 1 d . .
H25 H 0.690332 0.126023 0.330331 0.033 Uiso 1 1 calc R U
C26 C 0.8080(10) 0.0473(9) 0.3960(9) 0.049(2) Uani 1 1 d . .
H26A H 0.895980 0.112625 0.432384 0.074 Uiso 1 1 calc R U
H26B H 0.804840 0.020973 0.321783 0.074 Uiso 1 1 calc R U
H26C H 0.793654 -0.017456 0.435170 0.074 Uiso 1 1 calc R U
C27 C 0.5658(10) -0.0209(8) 0.3755(7) 0.043(2) Uani 1 1 d . .
H27A H 0.568386 -0.057335 0.439282 0.065 Uiso 1 1 calc R U
H27B H 0.551545 -0.076802 0.312155 0.065 Uiso 1 1 calc R U
H27C H 0.492050 0.002013 0.363315 0.065 Uiso 1 1 calc R U
C28 C 0.6322(8) 0.4212(7) 0.5794(5) 0.0281(14) Uani 1 1 d . .
H28 H 0.636588 0.451751 0.510890 0.034 Uiso 1 1 calc R U
C29 C 0.7056(10) 0.5259(8) 0.6738(6) 0.0395(19) Uani 1 1 d . .
H29A H 0.690640 0.499552 0.740721 0.059 Uiso 1 1 calc R U
H29B H 0.671117 0.583952 0.660333 0.059 Uiso 1 1 calc R U
H29C H 0.802180 0.561172 0.680716 0.059 Uiso 1 1 calc R U
C30 C 0.4828(9) 0.3603(8) 0.5775(6) 0.0358(17) Uani 1 1 d . .
H30A H 0.430756 0.302398 0.510260 0.054 Uiso 1 1 calc R U
H30B H 0.448113 0.418881 0.581634 0.054 Uiso 1 1 calc R U
H30C H 0.474826 0.321138 0.639376 0.054 Uiso 1 1 calc R U
C31 C 0.1750(9) -0.0183(8) 0.1476(7) 0.0394(18) Uani 1 1 d . .
H31A H 0.225577 -0.015689 0.095104 0.059 Uiso 1 1 calc R U
H31B H 0.078697 -0.064954 0.111946 0.059 Uiso 1 1 calc R U
H31C H 0.203782 -0.053954 0.206616 0.059 Uiso 1 1 calc R U
C32 C 0.1278(8) 0.1931(9) 0.0986(8) 0.043(2) Uani 1 1 d . .
H32A H 0.149097 0.274003 0.128074 0.064 Uiso 1 1 calc R U
H32B H 0.030071 0.145767 0.076474 0.064 Uiso 1 1 calc R U
H32C H 0.162051 0.191551 0.035859 0.064 Uiso 1 1 calc R U
C33 C 0.1380(8) 0.1293(8) 0.3216(7) 0.0377(18) Uani 1 1 d . .
H33A H 0.176997 0.093090 0.374625 0.057 Uiso 1 1 calc R U
H33B H 0.040008 0.083601 0.297220 0.057 Uiso 1 1 calc R U
H33C H 0.160716 0.209336 0.355066 0.057 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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
Si Si 0.0817 0.0704 '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_3
C1 Pb1 Br1 92.11(14) .
C1 Pb1 Br1 108.09(15) 2_766
Br1 Pb1 Br1 89.604(18) 2_766
Pb1 Br1 Pb1 90.396(18) 2_766
C32 Si1 C31 110.5(4) .
C32 Si1 C33 110.2(4) .
C31 Si1 C33 108.8(4) .
C32 Si1 C4 109.8(3) .
C31 Si1 C4 106.8(3) .
C33 Si1 C4 110.6(3) .
C6 C1 C2 118.5(6) .
C6 C1 Pb1 132.7(4) .
C2 C1 Pb1 108.8(4) .
C3 C2 C1 121.0(6) .
C3 C2 C7 121.1(5) .
C1 C2 C7 117.8(5) .
C2 C3 C4 121.0(6) .
C2 C3 H3 119.5 .
C4 C3 H3 119.5 .
C5 C4 C3 117.5(6) .
C5 C4 Si1 119.0(5) .
C3 C4 Si1 123.3(5) .
C6 C5 C4 122.7(6) .
C6 C5 H5 118.7 .
C4 C5 H5 118.7 .
C5 C6 C1 119.2(6) .
C5 C6 C19 117.6(6) .
C1 C6 C19 123.2(5) .
C8 C7 C12 120.6(6) .
C8 C7 C2 122.6(6) .
C12 C7 C2 116.8(6) .
C9 C8 C7 119.1(6) .
C9 C8 C13 119.6(7) .
C7 C8 C13 121.3(6) .
C10 C9 C8 120.8(7) .
C10 C9 H9 119.6 .
C8 C9 H9 119.6 .
C9 C10 C11 121.0(7) .
C9 C10 H10 119.5 .
C11 C10 H10 119.5 .
C10 C11 C12 120.4(7) .
C10 C11 H11 119.8 .
C12 C11 H11 119.8 .
C11 C12 C7 117.9(7) .
C11 C12 C16 119.3(6) .
C7 C12 C16 122.8(6) .
C14 C13 C8 114.3(6) .
C14 C13 C15 110.7(7) .
C8 C13 C15 107.9(6) .
C14 C13 H13 107.9 .
C8 C13 H13 107.9 .
C15 C13 H13 107.9 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C12 C16 C17 111.4(6) .
C12 C16 C18 111.0(6) .
C17 C16 C18 110.8(6) .
C12 C16 H16 107.8 .
C17 C16 H16 107.8 .
C18 C16 H16 107.8 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C24 C19 C20 121.0(6) .
C24 C19 C6 119.6(6) .
C20 C19 C6 119.3(6) .
C21 C20 C19 117.7(6) .
C21 C20 C25 120.7(6) .
C19 C20 C25 121.6(6) .
C22 C21 C20 121.2(7) .
C22 C21 H21 119.4 .
C20 C21 H21 119.4 .
C21 C22 C23 121.2(6) .
C21 C22 H22 119.4 .
C23 C22 H22 119.4 .
C22 C23 C24 119.9(6) .
C22 C23 H23 120.1 .
C24 C23 H23 120.1 .
C19 C24 C23 118.9(6) .
C19 C24 C28 121.8(6) .
C23 C24 C28 119.3(6) .
C26 C25 C27 108.3(7) .
C26 C25 C20 114.7(7) .
C27 C25 C20 110.3(6) .
C26 C25 H25 107.8 .
C27 C25 H25 107.8 .
C20 C25 H25 107.8 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C29 C28 C24 113.7(6) .
C29 C28 C30 108.2(6) .
C24 C28 C30 111.0(6) .
C29 C28 H28 107.9 .
C24 C28 H28 107.9 .
C30 C28 H28 107.9 .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C28 C30 H30A 109.5 .
C28 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C28 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
Si1 C31 H31A 109.5 .
Si1 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
Si1 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
Si1 C32 H32A 109.5 .
Si1 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
Si1 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
Si1 C33 H33A 109.5 .
Si1 C33 H33B 109.5 .
H33A C33 H33B 109.5 .
Si1 C33 H33C 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 C1 2.325(6) .
Pb1 Br1 2.8973(6) .
Pb1 Br1 3.0587(6) 2_766
Si1 C32 1.848(9) .
Si1 C31 1.858(9) .
Si1 C33 1.873(8) .
Si1 C4 1.886(6) .
C1 C6 1.403(8) .
C1 C2 1.418(8) .
C2 C3 1.387(9) .
C2 C7 1.512(8) .
C3 C4 1.403(9) .
C3 H3 0.9500 .
C4 C5 1.399(9) .
C5 C6 1.399(9) .
C5 H5 0.9500 .
C6 C19 1.508(8) .
C7 C8 1.400(10) .
C7 C12 1.426(8) .
C8 C9 1.397(9) .
C8 C13 1.539(10) .
C9 C10 1.374(11) .
C9 H9 0.9500 .
C10 C11 1.381(12) .
C10 H10 0.9500 .
C11 C12 1.417(9) .
C11 H11 0.9500 .
C12 C16 1.515(11) .
C13 C14 1.524(11) .
C13 C15 1.542(10) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.535(10) .
C16 C18 1.542(10) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.402(9) .
C19 C20 1.419(9) .
C20 C21 1.417(9) .
C20 C25 1.536(9) .
C21 C22 1.355(11) .
C21 H21 0.9500 .
C22 C23 1.398(11) .
C22 H22 0.9500 .
C23 C24 1.406(9) .
C23 H23 0.9500 .
C24 C28 1.530(10) .
C25 C26 1.520(10) .
C25 C27 1.522(12) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.530(10) .
C28 C30 1.546(11) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
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
C6 C1 C2 C3 1.9(9)
Pb1 C1 C2 C3 -179.2(5)
C6 C1 C2 C7 -173.7(5)
Pb1 C1 C2 C7 5.2(7)
C1 C2 C3 C4 -3.5(9)
C7 C2 C3 C4 172.0(6)
C2 C3 C4 C5 1.3(9)
C2 C3 C4 Si1 -173.4(5)
C32 Si1 C4 C5 161.8(5)
C31 Si1 C4 C5 -78.4(6)
C33 Si1 C4 C5 39.9(6)
C32 Si1 C4 C3 -23.6(7)
C31 Si1 C4 C3 96.2(6)
C33 Si1 C4 C3 -145.5(6)
C3 C4 C5 C6 2.5(9)
Si1 C4 C5 C6 177.4(5)
C4 C5 C6 C1 -4.1(9)
C4 C5 C6 C19 177.8(6)
C2 C1 C6 C5 1.8(9)
Pb1 C1 C6 C5 -176.8(5)
C2 C1 C6 C19 179.7(6)
Pb1 C1 C6 C19 1.1(9)
C3 C2 C7 C8 94.9(8)
C1 C2 C7 C8 -89.4(7)
C3 C2 C7 C12 -88.3(7)
C1 C2 C7 C12 87.4(7)
C12 C7 C8 C9 -5.0(9)
C2 C7 C8 C9 171.7(6)
C12 C7 C8 C13 174.8(6)
C2 C7 C8 C13 -8.5(9)
C7 C8 C9 C10 2.9(10)
C13 C8 C9 C10 -177.0(6)
C8 C9 C10 C11 0.3(11)
C9 C10 C11 C12 -1.3(11)
C10 C11 C12 C7 -0.8(10)
C10 C11 C12 C16 -179.8(6)
C8 C7 C12 C11 4.0(9)
C2 C7 C12 C11 -172.9(6)
C8 C7 C12 C16 -177.0(6)
C2 C7 C12 C16 6.1(9)
C9 C8 C13 C14 -32.8(9)
C7 C8 C13 C14 147.4(7)
C9 C8 C13 C15 90.8(8)
C7 C8 C13 C15 -89.1(8)
C11 C12 C16 C17 66.9(8)
C7 C12 C16 C17 -112.1(7)
C11 C12 C16 C18 -57.0(8)
C7 C12 C16 C18 124.0(7)
C5 C6 C19 C24 -84.2(8)
C1 C6 C19 C24 97.8(7)
C5 C6 C19 C20 91.5(7)
C1 C6 C19 C20 -86.5(8)
C24 C19 C20 C21 -4.4(9)
C6 C19 C20 C21 179.9(6)
C24 C19 C20 C25 173.3(6)
C6 C19 C20 C25 -2.4(9)
C19 C20 C21 C22 0.9(10)
C25 C20 C21 C22 -176.8(7)
C20 C21 C22 C23 1.9(11)
C21 C22 C23 C24 -1.3(11)
C20 C19 C24 C23 5.0(10)
C6 C19 C24 C23 -179.4(6)
C20 C19 C24 C28 -172.7(6)
C6 C19 C24 C28 2.9(9)
C22 C23 C24 C19 -2.1(10)
C22 C23 C24 C28 175.6(7)
C21 C20 C25 C26 -35.8(10)
C19 C20 C25 C26 146.6(7)
C21 C20 C25 C27 86.8(8)
C19 C20 C25 C27 -90.8(8)
C19 C24 C28 C29 -153.1(7)
C23 C24 C28 C29 29.2(9)
C19 C24 C28 C30 84.6(8)
C23 C24 C28 C30 -93.0(8)
