#------------------------------------------------------------------------------
#$Date: 2019-08-03 01:56:32 +0200 (Sat 03 de Aug de 2019) $
#$Revision: 217368 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/39/7123944.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_7123944
loop_
_publ_author_name
'Queen, Joshua Douglas'
'Fettinger, James C.'
'Power, Philip P.'
_publ_section_title
;
 Two Quasi-Stable Lead(II) Hydrides at Ambient Temperature
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC05106F
_journal_year                    2019
_chemical_formula_moiety         'C60 H76 Pb2, 4(C7 H8)'
_chemical_formula_sum            'C88 H108 Pb2'
_chemical_formula_weight         1580.12
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Heat-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'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-05-12 deposited with the CCDC.    2019-08-02 downloaded from the CCDC.
;
_cell_angle_alpha                110.8199(14)
_cell_angle_beta                 103.3533(16)
_cell_angle_gamma                102.2870(15)
_cell_formula_units_Z            1
_cell_length_a                   11.9074(15)
_cell_length_b                   13.2780(17)
_cell_length_c                   13.7294(18)
_cell_measurement_reflns_used    9834
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.76
_cell_volume                     1867.4(4)
_computing_cell_refinement       'SAINT (8.38a) (Bruker, 2017)'
_computing_data_collection       'Apex2 (2014.9-1) (Bruker, 2014)'
_computing_data_reduction        'SAINT (8.38a) (Bruker, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_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  0.0134
_diffrn_reflns_av_unetI/netI     0.0200
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22485
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.553
_diffrn_reflns_theta_min         2.047
_exptl_absorpt_coefficient_mu    4.545
_exptl_absorpt_correction_T_max  0.3931
_exptl_absorpt_correction_T_min  0.2691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Sheldrick, 2016)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_description       Block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.455
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.166
_refine_diff_density_max         1.270
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         11379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0149
_refine_ls_R_factor_gt           0.0139
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0131P)²+0.6821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0338
_refine_ls_wR_factor_ref         0.0341
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10955
_reflns_number_total             11379
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc05106f2.cif
_cod_data_source_block           JQ97FFMI
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7123944
_shelx_shelxl_version_number     2018/3
_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   0.232
_shelx_estimated_absorpt_t_max   0.519
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 0.38299(2) 0.38316(2) 0.43383(2) 0.01390(2) Uani 0.984 1 d . . P A 1
Pb1B Pb 0.4196(5) 0.4154(5) 0.4860(6) 0.0305(8) Uani 0.016 1 d . . P A 2
H1 H 0.468(2) 0.5243(19) 0.5824(18) 0.043(6) Uiso 1 1 d . . . . .
C1 C 0.48691(10) 0.27717(10) 0.49506(9) 0.0114(2) Uani 1 1 d . . . . .
C2 C 0.54598(10) 0.21464(10) 0.43073(9) 0.0112(2) Uani 1 1 d . . . . .
C3 C 0.59866(11) 0.14186(10) 0.46320(10) 0.0134(2) Uani 1 1 d . . . . .
H3 H 0.638494 0.099933 0.419419 0.016 Uiso 1 1 calc R U . . .
C4 C 0.59316(11) 0.13040(10) 0.55914(10) 0.0146(2) Uani 1 1 d . . . . .
H4 H 0.631416 0.082918 0.582177 0.018 Uiso 1 1 calc R U . . .
C5 C 0.53117(11) 0.18907(11) 0.62097(10) 0.0144(2) Uani 1 1 d . . . . .
H5 H 0.525511 0.179956 0.685425 0.017 Uiso 1 1 calc R U . . .
C6 C 0.47712(10) 0.26129(10) 0.58919(9) 0.0118(2) Uani 1 1 d . . . . .
C7 C 0.55070(11) 0.21985(10) 0.32423(10) 0.0119(2) Uani 1 1 d . . . . .
C8 C 0.44930(11) 0.15431(10) 0.22606(10) 0.0136(2) Uani 1 1 d . . . . .
C9 C 0.45970(12) 0.15306(11) 0.12605(10) 0.0170(2) Uani 1 1 d . . . . .
H9 H 0.392225 0.109260 0.059524 0.020 Uiso 1 1 calc R U . . .
C10 C 0.56742(12) 0.21508(12) 0.12319(11) 0.0182(2) Uani 1 1 d . . . . .
H10 H 0.573907 0.211990 0.054582 0.022 Uiso 1 1 calc R U . . .
C11 C 0.66590(12) 0.28170(11) 0.22006(11) 0.0164(2) Uani 1 1 d . . . . .
H11 H 0.738653 0.325178 0.217345 0.020 Uiso 1 1 calc R U . . .
C12 C 0.65911(11) 0.28547(10) 0.32169(10) 0.0130(2) Uani 1 1 d . . . . .
C13 C 0.33261(11) 0.07950(11) 0.22574(10) 0.0163(2) Uani 1 1 d . . . . .
H13 H 0.332168 0.107516 0.303528 0.020 Uiso 1 1 calc R U . . .
C14 C 0.21668(12) 0.08523(14) 0.15412(13) 0.0258(3) Uani 1 1 d . . . . .
H14A H 0.218771 0.164704 0.178280 0.039 Uiso 1 1 calc R U . . .
H14B H 0.144974 0.040715 0.161780 0.039 Uiso 1 1 calc R U . . .
H14C H 0.212185 0.053939 0.076508 0.039 Uiso 1 1 calc R U . . .
C15 C 0.33243(14) -0.04410(12) 0.18867(13) 0.0256(3) Uani 1 1 d . . . . .
H15A H 0.335269 -0.073161 0.113229 0.038 Uiso 1 1 calc R U . . .
H15B H 0.257979 -0.091135 0.190343 0.038 Uiso 1 1 calc R U . . .
H15C H 0.403917 -0.046912 0.238762 0.038 Uiso 1 1 calc R U . . .
C16 C 0.76821(11) 0.35783(11) 0.42694(10) 0.0157(2) Uani 1 1 d . . . . .
H16 H 0.738173 0.370453 0.491179 0.019 Uiso 1 1 calc R U . . .
C17 C 0.82899(12) 0.47487(11) 0.43268(12) 0.0202(3) Uani 1 1 d . . . . .
H17A H 0.870737 0.465707 0.377925 0.030 Uiso 1 1 calc R U . . .
H17B H 0.888385 0.523641 0.506865 0.030 Uiso 1 1 calc R U . . .
H17C H 0.766677 0.510029 0.416919 0.030 Uiso 1 1 calc R U . . .
C18 C 0.86303(12) 0.29658(12) 0.43879(12) 0.0223(3) Uani 1 1 d . . . . .
H18A H 0.824218 0.222569 0.436684 0.033 Uiso 1 1 calc R U . . .
H18B H 0.929592 0.343014 0.509406 0.033 Uiso 1 1 calc R U . . .
H18C H 0.895743 0.285095 0.377838 0.033 Uiso 1 1 calc R U . . .
C19 C 0.40106(11) 0.31507(11) 0.65109(10) 0.0138(2) Uani 1 1 d . . . . .
C20 C 0.45593(12) 0.41747(11) 0.74845(10) 0.0162(2) Uani 1 1 d . . . . .
C21 C 0.38167(14) 0.46507(12) 0.80329(12) 0.0220(3) Uani 1 1 d . . . . .
H21 H 0.417571 0.534114 0.868866 0.026 Uiso 1 1 calc R U . . .
C22 C 0.25626(15) 0.41271(13) 0.76310(13) 0.0252(3) Uani 1 1 d . . . . .
H22 H 0.206905 0.446234 0.801016 0.030 Uiso 1 1 calc R U . . .
C23 C 0.20274(13) 0.31188(13) 0.66801(12) 0.0230(3) Uani 1 1 d . . . . .
H23 H 0.116798 0.276401 0.641538 0.028 Uiso 1 1 calc R U . . .
C24 C 0.27348(12) 0.26145(12) 0.61031(11) 0.0169(2) Uani 1 1 d . . . . .
C25 C 0.59364(13) 0.47492(11) 0.79449(11) 0.0192(2) Uani 1 1 d . . . . .
H25 H 0.626039 0.448832 0.732147 0.023 Uiso 1 1 calc R U . . .
C26 C 0.63086(15) 0.60494(12) 0.84258(12) 0.0267(3) Uani 1 1 d . . . . .
H26A H 0.584804 0.627425 0.789512 0.040 Uiso 1 1 calc R U . . .
H26B H 0.718386 0.636796 0.857279 0.040 Uiso 1 1 calc R U . . .
H26C H 0.613219 0.633865 0.911735 0.040 Uiso 1 1 calc R U . . .
C27 C 0.65315(15) 0.43865(14) 0.88248(13) 0.0288(3) Uani 1 1 d . . . . .
H27A H 0.620559 0.460572 0.943423 0.043 Uiso 1 1 calc R U . . .
H27B H 0.741664 0.476353 0.910775 0.043 Uiso 1 1 calc R U . . .
H27C H 0.635225 0.355871 0.849410 0.043 Uiso 1 1 calc R U . . .
C28 C 0.21284(12) 0.14772(13) 0.50908(11) 0.0205(3) Uani 1 1 d . . . . .
H28 H 0.273392 0.134803 0.470177 0.025 Uiso 1 1 calc R U . . .
C29 C 0.09942(14) 0.14481(16) 0.42664(14) 0.0337(4) Uani 1 1 d . . . . .
H29A H 0.036266 0.152619 0.460964 0.051 Uiso 1 1 calc R U . . .
H29B H 0.068594 0.072229 0.360585 0.051 Uiso 1 1 calc R U . . .
H29C H 0.120847 0.207721 0.405648 0.051 Uiso 1 1 calc R U . . .
C30 C 0.18178(15) 0.05063(13) 0.54433(13) 0.0270(3) Uani 1 1 d . . . . .
H30A H 0.256348 0.050766 0.593095 0.040 Uiso 1 1 calc R U . . .
H30B H 0.145843 -0.022375 0.478599 0.040 Uiso 1 1 calc R U . . .
H30C H 0.123332 0.061509 0.583807 0.040 Uiso 1 1 calc R U . . .
C31 C 0.18398(13) 0.14747(13) 0.86135(11) 0.0238(3) Uani 1 1 d . . . . .
C32 C 0.29863(14) 0.19529(13) 0.85825(11) 0.0224(3) Uani 1 1 d . . . . .
H32 H 0.323941 0.272394 0.868856 0.027 Uiso 1 1 calc R U . . .
C33 C 0.37617(13) 0.13110(13) 0.83977(11) 0.0217(3) Uani 1 1 d . . . . .
H33 H 0.454251 0.164885 0.838408 0.026 Uiso 1 1 calc R U . . .
C34 C 0.34052(14) 0.01809(13) 0.82329(11) 0.0226(3) Uani 1 1 d . . . . .
H34 H 0.393521 -0.025672 0.810222 0.027 Uiso 1 1 calc R U . . .
C35 C 0.22660(14) -0.03024(13) 0.82612(12) 0.0243(3) Uani 1 1 d . . . . .
H35 H 0.201212 -0.107607 0.814673 0.029 Uiso 1 1 calc R U . . .
C36 C 0.14959(13) 0.03419(13) 0.84565(12) 0.0245(3) Uani 1 1 d . . . . .
H36 H 0.072209 0.000505 0.848345 0.029 Uiso 1 1 calc R U . . .
C37 C 0.09895(18) 0.21634(18) 0.88043(16) 0.0397(4) Uani 1 1 d . . . . .
H37A H 0.142896 0.296559 0.902492 0.060 Uiso 1 1 calc R U . . .
H37B H 0.068883 0.209169 0.939144 0.060 Uiso 1 1 calc R U . . .
H37C H 0.029848 0.188015 0.812051 0.060 Uiso 1 1 calc R U . . .
C38 C 0.94944(13) 0.49403(13) 0.80151(12) 0.0232(3) Uani 1 1 d . . . . .
C39 C 0.91429(14) 0.56477(15) 0.75450(13) 0.0285(3) Uani 1 1 d . . . . .
H39 H 0.847630 0.532639 0.687208 0.034 Uiso 1 1 calc R U . . .
C40 C 0.97496(16) 0.68113(15) 0.80431(14) 0.0310(3) Uani 1 1 d . . . . .
H40 H 0.949637 0.727853 0.771002 0.037 Uiso 1 1 calc R U . . .
C41 C 1.07238(16) 0.72954(15) 0.90245(14) 0.0306(3) Uani 1 1 d . . . . .
H41 H 1.114064 0.809250 0.936596 0.037 Uiso 1 1 calc R U . . .
C42 C 1.10848(14) 0.66039(15) 0.95043(13) 0.0286(3) Uani 1 1 d . . . . .
H42 H 1.175127 0.692967 1.017777 0.034 Uiso 1 1 calc R U . . .
C43 C 1.04780(13) 0.54419(14) 0.90056(12) 0.0246(3) Uani 1 1 d . . . . .
H43 H 1.073434 0.497827 0.934205 0.030 Uiso 1 1 calc R U . . .
C44 C 0.88461(16) 0.36767(15) 0.74703(15) 0.0340(4) Uani 1 1 d . . . . .
H44A H 0.801911 0.351353 0.698872 0.051 Uiso 1 1 calc R U . . .
H44B H 0.880141 0.340062 0.803870 0.051 Uiso 1 1 calc R U . . .
H44C H 0.929518 0.329234 0.702845 0.051 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'
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
C1 Pb1 Pb1 93.44(3) . 2_666
C1 Pb1 H1 92.2(6) . .
Pb1 Pb1 H1 37.0(6) 2_666 .
C1 Pb1B Pb1B 113.6(3) . 2_666
C1 Pb1B H1 118.6(9) . .
Pb1B Pb1B H1 54.1(9) 2_666 .
C2 C1 C6 118.87(11) . .
C2 C1 Pb1B 130.59(16) . .
C6 C1 Pb1B 110.18(17) . .
C2 C1 Pb1 120.53(8) . .
C6 C1 Pb1 119.98(8) . .
C3 C2 C1 120.14(11) . .
C3 C2 C7 118.04(10) . .
C1 C2 C7 121.78(10) . .
C4 C3 C2 120.58(11) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C5 C4 C3 119.46(11) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
C4 C5 C6 120.67(11) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C5 C6 C1 120.17(11) . .
C5 C6 C19 119.58(10) . .
C1 C6 C19 120.10(10) . .
C12 C7 C8 120.36(11) . .
C12 C7 C2 119.54(10) . .
C8 C7 C2 120.00(10) . .
C9 C8 C7 118.89(11) . .
C9 C8 C13 119.54(11) . .
C7 C8 C13 121.45(11) . .
C10 C9 C8 120.68(12) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 120.37(12) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C10 C11 C12 120.70(12) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C11 C12 C7 118.96(11) . .
C11 C12 C16 120.11(11) . .
C7 C12 C16 120.93(11) . .
C8 C13 C14 113.02(11) . .
C8 C13 C15 110.09(11) . .
C14 C13 C15 110.55(11) . .
C8 C13 H13 107.7 . .
C14 C13 H13 107.7 . .
C15 C13 H13 107.7 . .
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 112.14(11) . .
C12 C16 C18 111.34(11) . .
C17 C16 C18 109.75(11) . .
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 . .
C20 C19 C24 120.43(11) . .
C20 C19 C6 120.67(11) . .
C24 C19 C6 118.90(11) . .
C21 C20 C19 118.84(13) . .
C21 C20 C25 120.22(12) . .
C19 C20 C25 120.94(11) . .
C22 C21 C20 120.79(13) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C23 C22 C21 120.26(13) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C22 C23 C24 120.87(13) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C23 C24 C19 118.80(13) . .
C23 C24 C28 119.69(12) . .
C19 C24 C28 121.43(11) . .
C20 C25 C26 112.87(12) . .
C20 C25 C27 110.83(12) . .
C26 C25 C27 109.77(12) . .
C20 C25 H25 107.7 . .
C26 C25 H25 107.7 . .
C27 C25 H25 107.7 . .
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 . .
C24 C28 C29 113.19(13) . .
C24 C28 C30 110.28(11) . .
C29 C28 C30 110.66(12) . .
C24 C28 H28 107.5 . .
C29 C28 H28 107.5 . .
C30 C28 H28 107.5 . .
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 . .
C36 C31 C32 118.33(13) . .
C36 C31 C37 120.81(15) . .
C32 C31 C37 120.86(15) . .
C33 C32 C31 120.57(14) . .
C33 C32 H32 119.7 . .
C31 C32 H32 119.7 . .
C34 C33 C32 120.59(14) . .
C34 C33 H33 119.7 . .
C32 C33 H33 119.7 . .
C35 C34 C33 119.26(13) . .
C35 C34 H34 120.4 . .
C33 C34 H34 120.4 . .
C34 C35 C36 120.17(14) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C35 C36 C31 121.08(14) . .
C35 C36 H36 119.5 . .
C31 C36 H36 119.5 . .
C31 C37 H37A 109.5 . .
C31 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C31 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C39 C38 C43 117.90(15) . .
C39 C38 C44 121.23(14) . .
C43 C38 C44 120.87(15) . .
C40 C39 C38 121.14(15) . .
C40 C39 H39 119.4 . .
C38 C39 H39 119.4 . .
C41 C40 C39 120.27(15) . .
C41 C40 H40 119.9 . .
C39 C40 H40 119.9 . .
C40 C41 C42 119.34(16) . .
C40 C41 H41 120.3 . .
C42 C41 H41 120.3 . .
C43 C42 C41 120.31(15) . .
C43 C42 H42 119.8 . .
C41 C42 H42 119.8 . .
C42 C43 C38 121.04(15) . .
C42 C43 H43 119.5 . .
C38 C43 H43 119.5 . .
C38 C44 H44A 109.5 . .
C38 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C38 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 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 2.3066(12) .
Pb1 Pb1 3.2662(3) 2_666
Pb1 H1 2.05(2) .
Pb1B C1 2.183(4) .
Pb1B Pb1B 2.466(11) 2_666
Pb1B H1 1.45(2) .
C1 C2 1.4065(16) .
C1 C6 1.4075(16) .
C2 C3 1.4004(17) .
C2 C7 1.5015(16) .
C3 C4 1.3930(17) .
C3 H3 0.9500 .
C4 C5 1.3915(17) .
C4 H4 0.9500 .
C5 C6 1.3980(17) .
C5 H5 0.9500 .
C6 C19 1.5006(16) .
C7 C12 1.4108(16) .
C7 C8 1.4138(16) .
C8 C9 1.4016(17) .
C8 C13 1.5245(17) .
C9 C10 1.3862(18) .
C9 H9 0.9500 .
C10 C11 1.3886(18) .
C10 H10 0.9500 .
C11 C12 1.4000(17) .
C11 H11 0.9500 .
C12 C16 1.5210(17) .
C13 C14 1.5326(19) .
C13 C15 1.535(2) .
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 1.5339(18) .
C16 C18 1.5372(19) .
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 1.4102(18) .
C19 C24 1.4113(18) .
C20 C21 1.3984(18) .
C20 C25 1.5219(19) .
C21 C22 1.387(2) .
C21 H21 0.9500 .
C22 C23 1.383(2) .
C22 H22 0.9500 .
C23 C24 1.3988(18) .
C23 H23 0.9500 .
C24 C28 1.5211(19) .
C25 C26 1.530(2) .
C25 C27 1.535(2) .
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 1.532(2) .
C28 C30 1.535(2) .
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 C36 1.394(2) .
C31 C32 1.395(2) .
C31 C37 1.509(2) .
C32 C33 1.390(2) .
C32 H32 0.9500 .
C33 C34 1.388(2) .
C33 H33 0.9500 .
C34 C35 1.387(2) .
C34 H34 0.9500 .
C35 C36 1.389(2) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C39 1.395(2) .
C38 C43 1.398(2) .
C38 C44 1.503(2) .
C39 C40 1.387(2) .
C39 H39 0.9500 .
C40 C41 1.385(2) .
C40 H40 0.9500 .
C41 C42 1.389(2) .
C41 H41 0.9500 .
C42 C43 1.385(2) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 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 -2.82(17)
Pb1B C1 C2 C3 169.6(2)
Pb1 C1 C2 C3 -173.77(8)
C6 C1 C2 C7 174.83(10)
Pb1B C1 C2 C7 -12.7(3)
Pb1 C1 C2 C7 3.88(15)
C1 C2 C3 C4 0.07(18)
C7 C2 C3 C4 -177.67(11)
C2 C3 C4 C5 2.14(18)
C3 C4 C5 C6 -1.56(18)
C4 C5 C6 C1 -1.23(18)
C4 C5 C6 C19 174.36(11)
C2 C1 C6 C5 3.40(17)
Pb1B C1 C6 C5 -170.5(2)
Pb1 C1 C6 C5 174.40(9)
C2 C1 C6 C19 -172.17(11)
Pb1B C1 C6 C19 13.9(2)
Pb1 C1 C6 C19 -1.17(15)
C3 C2 C7 C12 -79.31(14)
C1 C2 C7 C12 102.99(14)
C3 C2 C7 C8 97.19(14)
C1 C2 C7 C8 -80.51(15)
C12 C7 C8 C9 1.88(18)
C2 C7 C8 C9 -174.60(11)
C12 C7 C8 C13 177.89(11)
C2 C7 C8 C13 1.42(17)
C7 C8 C9 C10 -0.08(19)
C13 C8 C9 C10 -176.17(12)
C8 C9 C10 C11 -1.6(2)
C9 C10 C11 C12 1.4(2)
C10 C11 C12 C7 0.39(19)
C10 C11 C12 C16 179.34(12)
C8 C7 C12 C11 -2.03(18)
C2 C7 C12 C11 174.46(11)
C8 C7 C12 C16 179.03(11)
C2 C7 C12 C16 -4.47(17)
C9 C8 C13 C14 -45.43(16)
C7 C8 C13 C14 138.58(13)
C9 C8 C13 C15 78.73(15)
C7 C8 C13 C15 -97.25(14)
C11 C12 C16 C17 42.85(16)
C7 C12 C16 C17 -138.23(12)
C11 C12 C16 C18 -80.57(15)
C7 C12 C16 C18 98.35(14)
C5 C6 C19 C20 85.19(15)
C1 C6 C19 C20 -99.22(14)
C5 C6 C19 C24 -94.77(14)
C1 C6 C19 C24 80.82(15)
C24 C19 C20 C21 -0.38(18)
C6 C19 C20 C21 179.66(11)
C24 C19 C20 C25 178.81(12)
C6 C19 C20 C25 -1.15(18)
C19 C20 C21 C22 0.1(2)
C25 C20 C21 C22 -179.06(13)
C20 C21 C22 C23 0.3(2)
C21 C22 C23 C24 -0.5(2)
C22 C23 C24 C19 0.3(2)
C22 C23 C24 C28 177.13(13)
C20 C19 C24 C23 0.18(18)
C6 C19 C24 C23 -179.85(12)
C20 C19 C24 C28 -176.63(12)
C6 C19 C24 C28 3.34(18)
C21 C20 C25 C26 -38.81(17)
C19 C20 C25 C26 142.01(12)
C21 C20 C25 C27 84.78(15)
C19 C20 C25 C27 -94.40(14)
C23 C24 C28 C29 48.85(17)
C19 C24 C28 C29 -134.37(13)
C23 C24 C28 C30 -75.72(16)
C19 C24 C28 C30 101.06(14)
C36 C31 C32 C33 0.1(2)
C37 C31 C32 C33 -179.49(14)
C31 C32 C33 C34 0.5(2)
C32 C33 C34 C35 -0.4(2)
C33 C34 C35 C36 -0.2(2)
C34 C35 C36 C31 0.8(2)
C32 C31 C36 C35 -0.7(2)
C37 C31 C36 C35 178.86(14)
C43 C38 C39 C40 0.0(2)
C44 C38 C39 C40 -179.36(15)
C38 C39 C40 C41 0.0(2)
C39 C40 C41 C42 -0.1(2)
C40 C41 C42 C43 0.1(2)
C41 C42 C43 C38 0.0(2)
C39 C38 C43 C42 0.0(2)
C44 C38 C43 C42 179.37(14)
