#------------------------------------------------------------------------------
#$Date: 2019-11-03 16:19:23 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/87/4128784.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_4128784
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         '2(C33 H45 Pb Si), C4 H10 O'
_chemical_formula_sum            'C70 H100 O Pb2 Si2'
_chemical_formula_weight         1428.05
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Light-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 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                90
_cell_angle_beta                 114.5876(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.4812(12)
_cell_length_b                   25.639(3)
_cell_length_c                   12.8116(14)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.52
_cell_volume                     3429.3(7)
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_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_R_equivalents  0.0201
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29678
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.570
_diffrn_reflns_theta_min         1.920
_exptl_absorpt_coefficient_mu    4.976
_exptl_absorpt_correction_T_max  0.2651
_exptl_absorpt_correction_T_min  0.1735
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Sheldrick, 2016)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_description       Block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.538
_exptl_crystal_size_mid          0.438
_exptl_crystal_size_min          0.216
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         7912
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0162
_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)+(0.0168P)²+2.6764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0408
_refine_ls_wR_factor_ref         0.0413
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7496
_reflns_number_total             7912
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b07072_si_006.cif
_cod_data_source_block           JQ73FMI
_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_original_cell_volume        3429.4(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4128784
_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   0.175
_shelx_estimated_absorpt_t_max   0.413
loop_
_space_group_symop_operation_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_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 1.03131(2) 0.54572(2) 0.42798(2) 0.02019(4) Uani 0.938 1 d . . P A 1
Pb2 Pb 1.0057(2) 0.53253(9) 0.4075(2) 0.0188(5) Uani 0.062 1 d . . P A 2
Si1 Si 0.47960(5) 0.70049(2) 0.22936(4) 0.02196(10) Uani 1 1 d . . . . .
C1 C 0.83548(15) 0.58667(6) 0.37113(13) 0.0148(3) Uani 1 1 d . . . . .
C2 C 0.82473(15) 0.62871(6) 0.43715(13) 0.0153(3) Uani 1 1 d . . . . .
C3 C 0.71593(16) 0.66066(6) 0.39503(14) 0.0172(3) Uani 1 1 d . . . . .
H3 H 0.709882 0.688583 0.441264 0.021 Uiso 1 1 calc R U . . .
C4 C 0.61553(15) 0.65262(6) 0.28643(14) 0.0173(3) Uani 1 1 d . . . . .
C5 C 0.62864(16) 0.61098(7) 0.22067(14) 0.0177(3) Uani 1 1 d . . . . .
H5 H 0.562264 0.604565 0.146847 0.021 Uiso 1 1 calc R U . . .
C6 C 0.73704(15) 0.57864(6) 0.26109(13) 0.0158(3) Uani 1 1 d . . . . .
C7 C 0.93571(16) 0.64365(6) 0.54724(14) 0.0163(3) Uani 1 1 d . . . . .
C8 C 1.03106(17) 0.67677(7) 0.54093(15) 0.0203(3) Uani 1 1 d . . . . .
C9 C 1.13098(19) 0.69308(8) 0.64342(16) 0.0278(4) Uani 1 1 d . . . . .
H9 H 1.195293 0.715624 0.640643 0.033 Uiso 1 1 calc R U . . .
C10 C 1.1374(2) 0.67680(8) 0.74892(16) 0.0305(4) Uani 1 1 d . . . . .
H10 H 1.205394 0.688420 0.817703 0.037 Uiso 1 1 calc R U . . .
C11 C 1.04462(19) 0.64356(8) 0.75413(15) 0.0265(4) Uani 1 1 d . . . . .
H11 H 1.050694 0.632206 0.826812 0.032 Uiso 1 1 calc R U . . .
C12 C 0.94235(17) 0.62645(7) 0.65444(14) 0.0205(3) Uani 1 1 d . . . . .
C13 C 1.02248(17) 0.69698(7) 0.42600(15) 0.0224(4) Uani 1 1 d . . . . .
H13 H 0.962079 0.673656 0.364853 0.027 Uiso 1 1 calc R U . . .
C14 C 1.1512(2) 0.69557(8) 0.41600(18) 0.0306(4) Uani 1 1 d . . . . .
H14A H 1.210678 0.720302 0.470657 0.046 Uiso 1 1 calc R U . . .
H14B H 1.137962 0.705193 0.337818 0.046 Uiso 1 1 calc R U . . .
H14C H 1.187221 0.660316 0.433164 0.046 Uiso 1 1 calc R U . . .
C15 C 0.9651(2) 0.75193(8) 0.40335(19) 0.0328(4) Uani 1 1 d . . . . .
H15A H 0.880198 0.751259 0.404321 0.049 Uiso 1 1 calc R U . . .
H15B H 0.957274 0.764012 0.328147 0.049 Uiso 1 1 calc R U . . .
H15C H 1.021051 0.775685 0.463088 0.049 Uiso 1 1 calc R U . . .
C16 C 0.83718(19) 0.59255(7) 0.66180(15) 0.0240(4) Uani 1 1 d . . . . .
H16 H 0.795019 0.573088 0.587810 0.029 Uiso 1 1 calc R U . . .
C17 C 0.8884(2) 0.55257(8) 0.75942(17) 0.0337(5) Uani 1 1 d . . . . .
H17A H 0.958944 0.532960 0.754041 0.051 Uiso 1 1 calc R U . . .
H17B H 0.819556 0.528472 0.753257 0.051 Uiso 1 1 calc R U . . .
H17C H 0.919371 0.570711 0.833389 0.051 Uiso 1 1 calc R U . . .
C18 C 0.7352(2) 0.62709(9) 0.6765(2) 0.0374(5) Uani 1 1 d . . . . .
H18A H 0.775154 0.647545 0.747197 0.056 Uiso 1 1 calc R U . . .
H18B H 0.667767 0.604982 0.680894 0.056 Uiso 1 1 calc R U . . .
H18C H 0.697825 0.650714 0.610696 0.056 Uiso 1 1 calc R U . . .
C19 C 0.75382(16) 0.53859(7) 0.18229(14) 0.0177(3) Uani 1 1 d . . . . .
C20 C 0.70440(18) 0.48762(7) 0.17580(16) 0.0239(4) Uani 1 1 d D . . . .
C21 C 0.7212(2) 0.45215(8) 0.10058(19) 0.0312(4) Uani 1 1 d . . . . .
H21 H 0.688929 0.417678 0.095543 0.037 Uiso 1 1 calc R U . . .
C22 C 0.7842(2) 0.46641(9) 0.03289(18) 0.0321(4) Uani 1 1 d . . . . .
H22 H 0.793680 0.441812 -0.018477 0.039 Uiso 1 1 calc R U . . .
C23 C 0.83344(19) 0.51648(8) 0.03994(15) 0.0274(4) Uani 1 1 d . . . . .
H23 H 0.877193 0.525739 -0.006070 0.033 Uiso 1 1 calc R U . . .
C24 C 0.81904(17) 0.55340(7) 0.11441(14) 0.0213(3) Uani 1 1 d . . . . .
C25 C 0.6339(2) 0.47172(9) 0.2495(2) 0.0215(5) Uani 0.84 1 d D . P B 1
H25 H 0.663003 0.495443 0.317571 0.026 Uiso 0.84 1 calc R U P B 1
C26 C 0.6580(2) 0.41521(9) 0.2942(2) 0.0304(5) Uani 0.84 1 d D . P B 1
H26A H 0.612194 0.391138 0.230846 0.046 Uiso 0.84 1 calc R U P B 1
H26B H 0.627151 0.410790 0.354355 0.046 Uiso 0.84 1 calc R U P B 1
H26C H 0.749996 0.407736 0.325700 0.046 Uiso 0.84 1 calc R U P B 1
C27 C 0.4892(2) 0.48056(10) 0.1796(2) 0.0322(5) Uani 0.84 1 d D . P B 1
H27A H 0.475276 0.514398 0.140736 0.048 Uiso 0.84 1 calc R U P B 1
H27B H 0.445869 0.480120 0.231374 0.048 Uiso 0.84 1 calc R U P B 1
H27C H 0.454302 0.452790 0.122427 0.048 Uiso 0.84 1 calc R U P B 1
C25B C 0.5995(9) 0.4769(5) 0.2161(9) 0.0215(5) Uani 0.16 1 d D . P B 2
H25B H 0.552531 0.509265 0.219722 0.026 Uiso 0.16 1 calc R U P B 2
C26B C 0.6927(12) 0.4578(5) 0.3353(9) 0.029(3) Uani 0.16 1 d D . P B 2
H26D H 0.734482 0.425666 0.327272 0.043 Uiso 0.16 1 calc R U P B 2
H26E H 0.645317 0.450852 0.382246 0.043 Uiso 0.16 1 calc R U P B 2
H26F H 0.757635 0.484595 0.372496 0.043 Uiso 0.16 1 calc R U P B 2
C27B C 0.5092(11) 0.4329(5) 0.1490(10) 0.032(3) Uani 0.16 1 d D . P B 2
H27D H 0.464542 0.443023 0.068157 0.047 Uiso 0.16 1 calc R U P B 2
H27E H 0.446455 0.426466 0.180945 0.047 Uiso 0.16 1 calc R U P B 2
H27F H 0.558979 0.401137 0.154890 0.047 Uiso 0.16 1 calc R U P B 2
C28 C 0.8680(2) 0.60896(8) 0.11708(16) 0.0275(4) Uani 1 1 d . . . . .
H28 H 0.874341 0.625634 0.189803 0.033 Uiso 1 1 calc R U . . .
C29 C 1.0013(2) 0.61120(10) 0.11650(19) 0.0380(5) Uani 1 1 d . . . . .
H29A H 1.061124 0.589877 0.179489 0.057 Uiso 1 1 calc R U . . .
H29B H 1.031421 0.647401 0.126409 0.057 Uiso 1 1 calc R U . . .
H29C H 0.996582 0.597758 0.043226 0.057 Uiso 1 1 calc R U . . .
C30 C 0.7708(3) 0.64053(10) 0.0163(2) 0.0436(6) Uani 1 1 d . . . . .
H30A H 0.761006 0.624512 -0.056382 0.065 Uiso 1 1 calc R U . . .
H30B H 0.801678 0.676408 0.019759 0.065 Uiso 1 1 calc R U . . .
H30C H 0.687952 0.640770 0.021261 0.065 Uiso 1 1 calc R U . . .
C31 C 0.5348(3) 0.76008(10) 0.1813(3) 0.0563(8) Uani 1 1 d . . . . .
H31A H 0.609828 0.774359 0.245228 0.084 Uiso 1 1 calc R U . . .
H31B H 0.465926 0.786065 0.155470 0.084 Uiso 1 1 calc R U . . .
H31C H 0.557677 0.751297 0.117768 0.084 Uiso 1 1 calc R U . . .
C32 C 0.4359(3) 0.72119(12) 0.3492(2) 0.0528(7) Uani 1 1 d . . . . .
H32A H 0.410206 0.690546 0.380267 0.079 Uiso 1 1 calc R U . . .
H32B H 0.364584 0.746025 0.319736 0.079 Uiso 1 1 calc R U . . .
H32C H 0.509954 0.737792 0.409977 0.079 Uiso 1 1 calc R U . . .
C33 C 0.3410(2) 0.67070(10) 0.1091(3) 0.0597(9) Uani 1 1 d . . . . .
H33A H 0.363052 0.664892 0.043921 0.089 Uiso 1 1 calc R U . . .
H33B H 0.267125 0.694186 0.085970 0.089 Uiso 1 1 calc R U . . .
H33C H 0.319643 0.637303 0.134051 0.089 Uiso 1 1 calc R U . . .
C41 C 0.4307(8) 0.5696(4) 0.4161(8) 0.062(2) Uani 0.5 1 d D U P C -1
H41A H 0.480592 0.591220 0.482866 0.093 Uiso 0.5 1 calc R U P C -1
H41B H 0.345542 0.584918 0.374780 0.093 Uiso 0.5 1 calc R U P C -1
H41C H 0.474659 0.567800 0.364969 0.093 Uiso 0.5 1 calc R U P C -1
C42 C 0.4176(6) 0.5162(3) 0.4549(7) 0.0504(17) Uani 0.5 1 d D . P C -1
H42A H 0.349248 0.515979 0.482997 0.060 Uiso 0.5 1 calc R U P C -1
H42B H 0.392474 0.491761 0.389328 0.060 Uiso 0.5 1 calc R U P C -1
O43 O 0.5331(4) 0.49952(19) 0.5429(4) 0.0416(10) Uani 0.5 1 d D . P C -1
C44 C 0.5265(6) 0.4460(3) 0.5752(7) 0.0381(15) Uani 0.5 1 d D . P C -1
H44A H 0.504830 0.422901 0.507771 0.046 Uiso 0.5 1 calc R U P C -1
H44B H 0.459211 0.442197 0.604036 0.046 Uiso 0.5 1 calc R U P C -1
C45 C 0.6542(5) 0.4310(2) 0.6672(5) 0.0501(13) Uani 0.5 1 d D U P C -1
H45A H 0.721154 0.437479 0.640120 0.075 Uiso 0.5 1 calc R U P C -1
H45B H 0.653520 0.393941 0.685426 0.075 Uiso 0.5 1 calc R U P C -1
H45C H 0.671405 0.451893 0.736146 0.075 Uiso 0.5 1 calc R U P C -1
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'
Si Si 0.0817 0.0704 '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_3
C1 Pb1 Pb1 95.21(4) 3_766
C1 Pb2 Pb2 100.80(15) 3_766
C31 Si1 C33 110.89(15) .
C31 Si1 C4 108.93(10) .
C33 Si1 C4 109.91(9) .
C31 Si1 C32 106.43(15) .
C33 Si1 C32 111.45(15) .
C4 Si1 C32 109.13(9) .
C2 C1 C6 118.65(14) .
C2 C1 Pb2 128.71(12) .
C6 C1 Pb2 112.21(12) .
C2 C1 Pb1 118.46(11) .
C6 C1 Pb1 121.36(11) .
C3 C2 C1 120.25(15) .
C3 C2 C7 118.94(14) .
C1 C2 C7 120.44(14) .
C2 C3 C4 121.92(15) .
C2 C3 H3 119.0 .
C4 C3 H3 119.0 .
C3 C4 C5 117.16(15) .
C3 C4 Si1 119.76(12) .
C5 C4 Si1 122.80(12) .
C6 C5 C4 121.81(15) .
C6 C5 H5 119.1 .
C4 C5 H5 119.1 .
C5 C6 C1 120.17(15) .
C5 C6 C19 119.75(14) .
C1 C6 C19 119.82(14) .
C12 C7 C8 120.83(15) .
C12 C7 C2 120.90(15) .
C8 C7 C2 118.24(14) .
C9 C8 C7 118.51(16) .
C9 C8 C13 120.16(16) .
C7 C8 C13 121.24(15) .
C10 C9 C8 120.95(18) .
C10 C9 H9 119.5 .
C8 C9 H9 119.5 .
C9 C10 C11 120.09(18) .
C9 C10 H10 120.0 .
C11 C10 H10 120.0 .
C10 C11 C12 121.23(17) .
C10 C11 H11 119.4 .
C12 C11 H11 119.4 .
C11 C12 C7 118.36(17) .
C11 C12 C16 120.59(16) .
C7 C12 C16 120.97(15) .
C8 C13 C15 110.21(15) .
C8 C13 C14 113.24(15) .
C15 C13 C14 111.04(16) .
C8 C13 H13 107.4 .
C15 C13 H13 107.4 .
C14 C13 H13 107.4 .
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 112.81(16) .
C12 C16 C18 110.00(16) .
C17 C16 C18 109.74(17) .
C12 C16 H16 108.0 .
C17 C16 H16 108.0 .
C18 C16 H16 108.0 .
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 .
C20 C19 C24 120.93(16) .
C20 C19 C6 120.61(16) .
C24 C19 C6 118.46(15) .
C21 C20 C19 118.42(18) .
C21 C20 C25B 118.3(5) .
C19 C20 C25B 120.1(5) .
C21 C20 C25 120.79(18) .
C19 C20 C25 120.79(17) .
C22 C21 C20 121.11(19) .
C22 C21 H21 119.4 .
C20 C21 H21 119.4 .
C21 C22 C23 120.37(18) .
C21 C22 H22 119.8 .
C23 C22 H22 119.8 .
C22 C23 C24 120.51(18) .
C22 C23 H23 119.7 .
C24 C23 H23 119.7 .
C23 C24 C19 118.65(17) .
C23 C24 C28 119.91(17) .
C19 C24 C28 121.39(15) .
C20 C25 C26 114.84(19) .
C20 C25 C27 108.75(18) .
C26 C25 C27 109.74(19) .
C20 C25 H25 107.8 .
C26 C25 H25 107.8 .
C27 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 .
C20 C25B C27B 112.9(9) .
C20 C25B C26B 94.2(7) .
C27B C25B C26B 110.6(9) .
C20 C25B H25B 112.6 .
C27B C25B H25B 112.6 .
C26B C25B H25B 112.6 .
C25B C26B H26D 109.5 .
C25B C26B H26E 109.5 .
H26D C26B H26E 109.5 .
C25B C26B H26F 109.5 .
H26D C26B H26F 109.5 .
H26E C26B H26F 109.5 .
C25B C27B H27D 109.5 .
C25B C27B H27E 109.5 .
H27D C27B H27E 109.5 .
C25B C27B H27F 109.5 .
H27D C27B H27F 109.5 .
H27E C27B H27F 109.5 .
C24 C28 C29 113.19(17) .
C24 C28 C30 109.88(17) .
C29 C28 C30 110.64(17) .
C24 C28 H28 107.6 .
C29 C28 H28 107.6 .
C30 C28 H28 107.6 .
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 .
C42 C41 H41A 109.5 .
C42 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
C42 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
O43 C42 C41 110.9(5) .
O43 C42 H42A 109.5 .
C41 C42 H42A 109.5 .
O43 C42 H42B 109.5 .
C41 C42 H42B 109.5 .
H42A C42 H42B 108.1 .
C42 O43 C44 112.0(4) .
O43 C44 C45 108.5(5) .
O43 C44 H44A 110.0 .
C45 C44 H44A 110.0 .
O43 C44 H44B 110.0 .
C45 C44 H44B 110.0 .
H44A C44 H44B 108.4 .
C44 C45 H45A 109.5 .
C44 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C44 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 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 2.3077(16) .
Pb1 Pb1 3.2441(4) 3_766
Pb2 C1 2.282(3) .
Pb2 Pb2 2.946(6) 3_766
Si1 C31 1.854(3) .
Si1 C33 1.857(2) .
Si1 C4 1.8781(17) .
Si1 C32 1.879(3) .
C1 C2 1.407(2) .
C1 C6 1.408(2) .
C2 C3 1.401(2) .
C2 C7 1.505(2) .
C3 C4 1.404(2) .
C3 H3 0.9500 .
C4 C5 1.406(2) .
C5 C6 1.403(2) .
C5 H5 0.9500 .
C6 C19 1.508(2) .
C7 C12 1.414(2) .
C7 C8 1.414(2) .
C8 C9 1.401(2) .
C8 C13 1.525(2) .
C9 C10 1.387(3) .
C9 H9 0.9500 .
C10 C11 1.387(3) .
C10 H10 0.9500 .
C11 C12 1.398(2) .
C11 H11 0.9500 .
C12 C16 1.522(3) .
C13 C15 1.531(3) .
C13 C14 1.537(3) .
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 1.533(3) .
C16 C18 1.541(3) .
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 C20 1.413(2) .
C19 C24 1.415(2) .
C20 C21 1.395(3) .
C20 C25B 1.520(9) .
C20 C25 1.533(3) .
C21 C22 1.390(3) .
C21 H21 0.9500 .
C22 C23 1.390(3) .
C22 H22 0.9500 .
C23 C24 1.402(3) .
C23 H23 0.9500 .
C24 C28 1.527(3) .
C25 C26 1.540(3) .
C25 C27 1.542(3) .
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 .
C25B C27B 1.531(8) .
C25B C26B 1.536(8) .
C25B H25B 1.0000 .
C26B H26D 0.9800 .
C26B H26E 0.9800 .
C26B H26F 0.9800 .
C27B H27D 0.9800 .
C27B H27E 0.9800 .
C27B H27F 0.9800 .
C28 C29 1.534(3) .
C28 C30 1.539(3) .
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 .
C41 C42 1.485(10) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 O43 1.403(8) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
O43 C44 1.445(8) .
C44 C45 1.499(8) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 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 2.1(2)
Pb2 C1 C2 C3 173.93(15)
Pb1 C1 C2 C3 168.15(12)
C6 C1 C2 C7 -170.87(14)
Pb2 C1 C2 C7 1.0(2)
Pb1 C1 C2 C7 -4.8(2)
C1 C2 C3 C4 -0.8(2)
C7 C2 C3 C4 172.24(15)
C2 C3 C4 C5 -0.2(2)
C2 C3 C4 Si1 -174.33(12)
C31 Si1 C4 C3 75.48(18)
C33 Si1 C4 C3 -162.84(17)
C32 Si1 C4 C3 -40.34(18)
C31 Si1 C4 C5 -98.27(18)
C33 Si1 C4 C5 23.4(2)
C32 Si1 C4 C5 145.91(17)
C3 C4 C5 C6 0.0(2)
Si1 C4 C5 C6 173.89(13)
C4 C5 C6 C1 1.3(2)
C4 C5 C6 C19 -172.86(15)
C2 C1 C6 C5 -2.3(2)
Pb2 C1 C6 C5 -175.45(14)
Pb1 C1 C6 C5 -167.97(12)
C2 C1 C6 C19 171.85(15)
Pb2 C1 C6 C19 -1.3(2)
Pb1 C1 C6 C19 6.2(2)
C3 C2 C7 C12 89.0(2)
C1 C2 C7 C12 -97.94(19)
C3 C2 C7 C8 -88.91(19)
C1 C2 C7 C8 84.1(2)
C12 C7 C8 C9 -1.3(3)
C2 C7 C8 C9 176.62(16)
C12 C7 C8 C13 -177.96(16)
C2 C7 C8 C13 0.0(2)
C7 C8 C9 C10 0.6(3)
C13 C8 C9 C10 177.33(18)
C8 C9 C10 C11 0.5(3)
C9 C10 C11 C12 -1.0(3)
C10 C11 C12 C7 0.3(3)
C10 C11 C12 C16 -176.42(18)
C8 C7 C12 C11 0.8(3)
C2 C7 C12 C11 -177.04(16)
C8 C7 C12 C16 177.57(16)
C2 C7 C12 C16 -0.3(2)
C9 C8 C13 C15 -79.3(2)
C7 C8 C13 C15 97.3(2)
C9 C8 C13 C14 45.8(2)
C7 C8 C13 C14 -137.65(17)
C11 C12 C16 C17 -38.1(2)
C7 C12 C16 C17 145.21(17)
C11 C12 C16 C18 84.8(2)
C7 C12 C16 C18 -91.9(2)
C5 C6 C19 C20 -89.9(2)
C1 C6 C19 C20 95.9(2)
C5 C6 C19 C24 89.5(2)
C1 C6 C19 C24 -84.7(2)
C24 C19 C20 C21 -0.1(3)
C6 C19 C20 C21 179.27(17)
C24 C19 C20 C25B -159.7(5)
C6 C19 C20 C25B 19.7(5)
C24 C19 C20 C25 179.96(17)
C6 C19 C20 C25 -0.6(3)
C19 C20 C21 C22 -0.4(3)
C25B C20 C21 C22 159.6(5)
C25 C20 C21 C22 179.54(19)
C20 C21 C22 C23 0.8(3)
C21 C22 C23 C24 -0.7(3)
C22 C23 C24 C19 0.2(3)
C22 C23 C24 C28 -177.11(18)
C20 C19 C24 C23 0.2(3)
C6 C19 C24 C23 -179.20(16)
C20 C19 C24 C28 177.48(17)
C6 C19 C24 C28 -1.9(2)
C21 C20 C25 C26 36.5(3)
C19 C20 C25 C26 -143.6(2)
C21 C20 C25 C27 -86.9(2)
C19 C20 C25 C27 93.0(2)
C21 C20 C25B C27B -10.9(11)
C19 C20 C25B C27B 148.7(7)
C21 C20 C25B C26B 103.5(7)
C19 C20 C25B C26B -96.9(7)
C23 C24 C28 C29 -43.8(2)
C19 C24 C28 C29 138.94(18)
C23 C24 C28 C30 80.4(2)
C19 C24 C28 C30 -96.8(2)
C41 C42 O43 C44 -174.8(8)
C42 O43 C44 C45 178.6(5)
