#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:45:54 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179763 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/59/7005992.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_7005992
loop_
_publ_author_name
'Fulton, J. Robin'
'Hitchcock, Peter B.'
'Johnstone, Nick C.'
'Tam, Eric C. Y.'
_publ_section_title
;
 The synthesis of monomeric terminal lead aryloxides: dependence on
 reagents and conditions.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3360
_journal_page_last               3362
_journal_paper_doi               10.1039/b707984b
_journal_year                    2007
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C44 H64 N2 O Pb'
_chemical_formula_sum            'C44 H64 N2 O Pb'
_chemical_formula_weight         844.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2007-05-09T10:06:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                105.315(1)
_cell_angle_beta                 100.911(1)
_cell_angle_gamma                108.965(1)
_cell_formula_units_Z            2
_cell_length_a                   12.3312(2)
_cell_length_b                   12.5867(2)
_cell_length_c                   15.1185(3)
_cell_measurement_reflns_used    13435
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     2040.66(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.83955E-1
_diffrn_orient_matrix_UB_12      0.105353E-1
_diffrn_orient_matrix_UB_13      0.305383E-1
_diffrn_orient_matrix_UB_21      0.75696E-2
_diffrn_orient_matrix_UB_22      -0.347024E-1
_diffrn_orient_matrix_UB_23      -0.650117E-1
_diffrn_orient_matrix_UB_31      0.313567E-1
_diffrn_orient_matrix_UB_32      0.82048E-1
_diffrn_orient_matrix_UB_33      -0.38403E-2
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.035
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24004
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         3.43
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    4.167
_exptl_absorpt_correction_T_max  0.5256
_exptl_absorpt_correction_T_min  0.4475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.171
_refine_diff_density_min         -1.099
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         8032
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0197P)²+1.6891P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.05
_refine_ls_wR_factor_ref         0.0513
_reflns_number_gt                7468
_reflns_number_total             8032
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b707984b.txt
_cod_data_source_block           (3)-may907
_cod_original_cell_volume        2040.66(6)
_cod_database_code               7005992
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb 0.705466(9) 0.526422(9) 0.688352(7) 0.01756(4) Uani 1 1 d . . .
O O 0.65312(17) 0.34522(16) 0.69791(13) 0.0205(4) Uani 1 1 d . . .
N1 N 0.8994(2) 0.5651(2) 0.77218(16) 0.0192(5) Uani 1 1 d . . .
N2 N 0.7068(2) 0.64217(19) 0.83494(15) 0.0188(5) Uani 1 1 d . . .
C1 C 0.9482(3) 0.6138(2) 0.86672(19) 0.0206(6) Uani 1 1 d . . .
C2 C 0.8859(3) 0.6408(3) 0.9325(2) 0.0235(6) Uani 1 1 d . . .
H2 H 0.9222 0.6474 0.9961 0.028 Uiso 1 1 calc R . .
C3 C 0.7796(3) 0.6593(2) 0.91958(19) 0.0215(6) Uani 1 1 d . . .
C4 C 1.0815(3) 0.6475(3) 0.9106(2) 0.0313(7) Uani 1 1 d . . .
H4A H 1.1089 0.5959 0.8677 0.047 Uiso 1 1 calc R . .
H4B H 1.0951 0.637 0.9731 0.047 Uiso 1 1 calc R . .
H4C H 1.1264 0.7315 0.9192 0.047 Uiso 1 1 calc R . .
C5 C 0.7473(3) 0.7053(3) 1.0105(2) 0.0325(7) Uani 1 1 d . . .
H5A H 0.7684 0.7918 1.028 0.049 Uiso 1 1 calc R . .
H5B H 0.792 0.6897 1.0631 0.049 Uiso 1 1 calc R . .
H5C H 0.6608 0.664 0.999 0.049 Uiso 1 1 calc R . .
C6 C 0.9749(2) 0.5514(3) 0.71164(19) 0.0225(6) Uani 1 1 d . . .
C7 C 1.0300(3) 0.6468(3) 0.6814(2) 0.0274(7) Uani 1 1 d . . .
C8 C 1.1019(3) 0.6315(3) 0.6229(2) 0.0367(8) Uani 1 1 d . . .
H8 H 1.1395 0.6947 0.6016 0.044 Uiso 1 1 calc R . .
C9 C 1.1199(3) 0.5276(3) 0.5951(2) 0.0392(8) Uani 1 1 d . . .
H9 H 1.1709 0.5199 0.556 0.047 Uiso 1 1 calc R . .
C10 C 1.0640(3) 0.4335(3) 0.6237(2) 0.0341(8) Uani 1 1 d . . .
H10 H 1.0768 0.3616 0.6034 0.041 Uiso 1 1 calc R . .
C11 C 0.9896(3) 0.4421(3) 0.6815(2) 0.0267(7) Uani 1 1 d . . .
C12 C 1.0125(3) 0.7638(3) 0.7090(2) 0.0347(8) Uani 1 1 d . . .
H12 H 0.9642 0.7617 0.7552 0.042 Uiso 1 1 calc R . .
C13 C 0.9420(3) 0.7769(3) 0.6202(3) 0.0407(8) Uani 1 1 d . . .
H13A H 0.9858 0.7748 0.5724 0.061 Uiso 1 1 calc R . .
H13B H 0.9328 0.8534 0.639 0.061 Uiso 1 1 calc R . .
H13C H 0.8625 0.7108 0.5925 0.061 Uiso 1 1 calc R . .
C14 C 1.1332(4) 0.8722(3) 0.7590(3) 0.0517(10) Uani 1 1 d . . .
H14A H 1.1781 0.8614 0.8144 0.078 Uiso 1 1 calc R . .
H14B H 1.1186 0.9454 0.7809 0.078 Uiso 1 1 calc R . .
H14C H 1.1801 0.8791 0.7136 0.078 Uiso 1 1 calc R . .
C15 C 0.9251(3) 0.3359(3) 0.7094(2) 0.0306(7) Uani 1 1 d . . .
H15 H 0.8437 0.3351 0.7089 0.037 Uiso 1 1 calc R . .
C16 C 0.9874(3) 0.3445(3) 0.8101(3) 0.0444(9) Uani 1 1 d . . .
H16A H 1.0714 0.3562 0.8159 0.067 Uiso 1 1 calc R . .
H16B H 0.9461 0.2702 0.8208 0.067 Uiso 1 1 calc R . .
H16C H 0.9848 0.4125 0.8581 0.067 Uiso 1 1 calc R . .
C17 C 0.9061(4) 0.2148(3) 0.6384(3) 0.0504(10) Uani 1 1 d . . .
H17A H 0.8727 0.2102 0.5726 0.076 Uiso 1 1 calc R . .
H17B H 0.8502 0.1501 0.652 0.076 Uiso 1 1 calc R . .
H17C H 0.9833 0.2066 0.645 0.076 Uiso 1 1 calc R . .
C18 C 0.6239(3) 0.7004(2) 0.83332(19) 0.0207(6) Uani 1 1 d . . .
C19 C 0.6691(3) 0.8265(3) 0.8584(2) 0.0250(6) Uani 1 1 d . . .
C20 C 0.5880(3) 0.8817(3) 0.8563(2) 0.0309(7) Uani 1 1 d . . .
H20 H 0.6175 0.9665 0.8746 0.037 Uiso 1 1 calc R . .
C21 C 0.4656(3) 0.8158(3) 0.8284(2) 0.0338(8) Uani 1 1 d . . .
H21 H 0.4117 0.8552 0.8275 0.041 Uiso 1 1 calc R . .
C22 C 0.4219(3) 0.6926(3) 0.8017(2) 0.0301(7) Uani 1 1 d . . .
H22 H 0.3375 0.6477 0.782 0.036 Uiso 1 1 calc R . .
C23 C 0.4991(3) 0.6327(2) 0.8031(2) 0.0224(6) Uani 1 1 d . . .
C24 C 0.8025(3) 0.9032(3) 0.8829(2) 0.0319(7) Uani 1 1 d . . .
H24 H 0.8488 0.8534 0.8943 0.038 Uiso 1 1 calc R . .
C25 C 0.8272(3) 0.9409(4) 0.7984(3) 0.0542(10) Uani 1 1 d . . .
H25A H 0.8013 0.8694 0.7411 0.081 Uiso 1 1 calc R . .
H25B H 0.9135 0.9878 0.8138 0.081 Uiso 1 1 calc R . .
H25C H 0.7826 0.9899 0.7861 0.081 Uiso 1 1 calc R . .
C26 C 0.8469(4) 1.0140(3) 0.9732(3) 0.0605(12) Uani 1 1 d . . .
H26A H 0.8032 1.0646 0.9631 0.091 Uiso 1 1 calc R . .
H26B H 0.9331 1.0595 0.9868 0.091 Uiso 1 1 calc R . .
H26C H 0.8328 0.9893 1.0277 0.091 Uiso 1 1 calc R . .
C27 C 0.4453(3) 0.4970(3) 0.7716(2) 0.0255(6) Uani 1 1 d . . .
H27 H 0.5126 0.4698 0.7833 0.031 Uiso 1 1 calc R . .
C28 C 0.3617(3) 0.4531(3) 0.8293(3) 0.0443(9) Uani 1 1 d . . .
H28A H 0.4064 0.4883 0.898 0.066 Uiso 1 1 calc R . .
H28B H 0.3312 0.3655 0.8088 0.066 Uiso 1 1 calc R . .
H28C H 0.294 0.4776 0.8179 0.066 Uiso 1 1 calc R . .
C29 C 0.3774(3) 0.4412(3) 0.6640(2) 0.0335(7) Uani 1 1 d . . .
H29A H 0.3124 0.4686 0.6507 0.05 Uiso 1 1 calc R . .
H29B H 0.3435 0.3535 0.6449 0.05 Uiso 1 1 calc R . .
H29C H 0.433 0.4655 0.6277 0.05 Uiso 1 1 calc R . .
C30 C 0.5402(2) 0.2595(2) 0.66555(19) 0.0175(6) Uani 1 1 d . . .
C31 C 0.4891(3) 0.2174(2) 0.73347(19) 0.0197(6) Uani 1 1 d . . .
C32 C 0.3660(3) 0.1494(2) 0.7043(2) 0.0260(7) Uani 1 1 d . . .
H32 H 0.3306 0.1243 0.7498 0.031 Uiso 1 1 calc R . .
C33 C 0.2924(3) 0.1166(3) 0.6113(2) 0.0281(7) Uani 1 1 d . . .
C34 C 0.3486(3) 0.1416(3) 0.5444(2) 0.0262(7) Uani 1 1 d . . .
H34 H 0.3006 0.1121 0.4792 0.031 Uiso 1 1 calc R . .
C35 C 0.4720(3) 0.2079(2) 0.56650(19) 0.0213(6) Uani 1 1 d . . .
C36 C 0.5688(3) 0.2377(2) 0.83343(19) 0.0243(6) Uani 1 1 d . . .
C37 C 0.6690(3) 0.1941(3) 0.8200(2) 0.0296(7) Uani 1 1 d . . .
H37A H 0.6334 0.1092 0.7791 0.044 Uiso 1 1 calc R . .
H37B H 0.7187 0.2041 0.8828 0.044 Uiso 1 1 calc R . .
H37C H 0.719 0.2412 0.7894 0.044 Uiso 1 1 calc R . .
C38 C 0.6266(4) 0.3698(3) 0.8997(2) 0.0394(9) Uani 1 1 d . . .
H38A H 0.6791 0.4175 0.8709 0.059 Uiso 1 1 calc R . .
H38B H 0.6742 0.3771 0.9624 0.059 Uiso 1 1 calc R . .
H38C H 0.5635 0.3994 0.9081 0.059 Uiso 1 1 calc R . .
C39 C 0.4973(3) 0.1656(3) 0.8859(2) 0.0399(8) Uani 1 1 d . . .
H39A H 0.4367 0.1959 0.9007 0.06 Uiso 1 1 calc R . .
H39B H 0.5522 0.1739 0.9458 0.06 Uiso 1 1 calc R . .
H39C H 0.4575 0.0808 0.8447 0.06 Uiso 1 1 calc R . .
C40 C 0.1572(3) 0.0549(3) 0.5847(3) 0.0448(9) Uani 1 1 d . . .
H40A H 0.1197 0.0722 0.5301 0.067 Uiso 1 1 calc R . .
H40B H 0.1304 0.0843 0.6398 0.067 Uiso 1 1 calc R . .
H40C H 0.1339 -0.0319 0.5671 0.067 Uiso 1 1 calc R . .
C41 C 0.5202(3) 0.2161(3) 0.4804(2) 0.0274(7) Uani 1 1 d . . .
C42 C 0.6556(3) 0.2498(3) 0.5029(2) 0.0444(9) Uani 1 1 d . . .
H42A H 0.6984 0.3356 0.5407 0.067 Uiso 1 1 calc R . .
H42B H 0.6762 0.2323 0.4427 0.067 Uiso 1 1 calc R . .
H42C H 0.6792 0.2033 0.5398 0.067 Uiso 1 1 calc R . .
C43 C 0.4858(4) 0.3030(3) 0.4387(2) 0.0430(9) Uani 1 1 d . . .
H43A H 0.3985 0.2792 0.4223 0.065 Uiso 1 1 calc R . .
H43B H 0.5108 0.3012 0.3807 0.065 Uiso 1 1 calc R . .
H43C H 0.5261 0.3844 0.4864 0.065 Uiso 1 1 calc R . .
C44 C 0.4651(3) 0.0910(3) 0.4008(2) 0.0390(8) Uani 1 1 d . . .
H44A H 0.4861 0.034 0.4263 0.059 Uiso 1 1 calc R . .
H44B H 0.4967 0.0956 0.3465 0.059 Uiso 1 1 calc R . .
H44C H 0.3774 0.064 0.379 0.059 Uiso 1 1 calc R . .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
O Pb N2 103.00(7) . . ?
O Pb N1 87.32(7) . . ?
N2 Pb N1 83.06(8) . . ?
C30 O Pb 125.91(16) . . ?
C1 N1 C6 119.5(2) . . ?
C1 N1 Pb 126.04(18) . . ?
C6 N1 Pb 113.65(16) . . ?
C3 N2 C18 118.9(2) . . ?
C3 N2 Pb 124.45(18) . . ?
C18 N2 Pb 116.67(16) . . ?
N1 C1 C2 124.7(3) . . ?
N1 C1 C4 119.8(2) . . ?
C2 C1 C4 115.5(2) . . ?
C3 C2 C1 130.5(3) . . ?
C3 C2 H2 114.8 . . ?
C1 C2 H2 114.8 . . ?
N2 C3 C2 125.2(3) . . ?
N2 C3 C5 118.6(3) . . ?
C2 C3 C5 116.2(3) . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 121.2(3) . . ?
C7 C6 N1 119.1(3) . . ?
C11 C6 N1 119.7(3) . . ?
C8 C7 C6 118.1(3) . . ?
C8 C7 C12 119.1(3) . . ?
C6 C7 C12 122.8(3) . . ?
C9 C8 C7 121.6(3) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C10 120.1(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C9 C10 C11 121.4(3) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C6 117.6(3) . . ?
C10 C11 C15 120.7(3) . . ?
C6 C11 C15 121.8(3) . . ?
C7 C12 C13 110.5(3) . . ?
C7 C12 C14 111.5(3) . . ?
C13 C12 C14 110.5(3) . . ?
C7 C12 H12 108.1 . . ?
C13 C12 H12 108.1 . . ?
C14 C12 H12 108.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 C16 113.8(3) . . ?
C11 C15 C17 113.3(3) . . ?
C16 C15 C17 108.0(3) . . ?
C11 C15 H15 107.1 . . ?
C16 C15 H15 107.1 . . ?
C17 C15 H15 107.1 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 120.2(3) . . ?
C23 C18 N2 120.6(2) . . ?
C19 C18 N2 119.1(3) . . ?
C20 C19 C18 118.6(3) . . ?
C20 C19 C24 118.8(3) . . ?
C18 C19 C24 122.5(3) . . ?
C21 C20 C19 121.4(3) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 121.3(3) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C18 118.7(3) . . ?
C22 C23 C27 118.7(3) . . ?
C18 C23 C27 122.6(3) . . ?
C25 C24 C19 109.9(3) . . ?
C25 C24 C26 109.7(3) . . ?
C19 C24 C26 112.5(3) . . ?
C25 C24 H24 108.2 . . ?
C19 C24 H24 108.2 . . ?
C26 C24 H24 108.2 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 C29 110.5(2) . . ?
C23 C27 C28 111.8(2) . . ?
C29 C27 C28 110.1(3) . . ?
C23 C27 H27 108.1 . . ?
C29 C27 H27 108.1 . . ?
C28 C27 H27 108.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O C30 C35 122.4(2) . . ?
O C30 C31 118.5(2) . . ?
C35 C30 C31 119.1(2) . . ?
C32 C31 C30 118.0(3) . . ?
C32 C31 C36 120.5(2) . . ?
C30 C31 C36 121.4(2) . . ?
C31 C32 C33 122.8(3) . . ?
C31 C32 H32 118.6 . . ?
C33 C32 H32 118.6 . . ?
C34 C33 C32 116.9(3) . . ?
C34 C33 C40 121.5(3) . . ?
C32 C33 C40 121.5(3) . . ?
C33 C34 C35 124.0(3) . . ?
C33 C34 H34 118 . . ?
C35 C34 H34 118 . . ?
C34 C35 C30 116.9(2) . . ?
C34 C35 C41 116.3(2) . . ?
C30 C35 C41 126.8(3) . . ?
C37 C36 C39 107.3(2) . . ?
C37 C36 C38 108.6(3) . . ?
C39 C36 C38 107.4(3) . . ?
C37 C36 C31 108.6(2) . . ?
C39 C36 C31 111.7(3) . . ?
C38 C36 C31 113.1(2) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C33 C40 H40A 109.5 . . ?
C33 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C33 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C43 109.9(3) . . ?
C42 C41 C35 114.2(2) . . ?
C43 C41 C35 111.0(3) . . ?
C42 C41 C44 103.8(3) . . ?
C43 C41 C44 108.3(3) . . ?
C35 C41 C44 109.3(2) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 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
_geom_bond_publ_flag
Pb O 2.2118(18) . ?
Pb N2 2.302(2) . ?
Pb N1 2.309(2) . ?
O C30 1.352(3) . ?
N1 C1 1.324(3) . ?
N1 C6 1.441(3) . ?
N2 C3 1.336(4) . ?
N2 C18 1.439(4) . ?
C1 C2 1.406(4) . ?
C1 C4 1.518(4) . ?
C2 C3 1.392(4) . ?
C2 H2 0.95 . ?
C3 C5 1.523(4) . ?
C4 H4A 0.98 . ?
C4 H4B 0.98 . ?
C4 H4C 0.98 . ?
C5 H5A 0.98 . ?
C5 H5B 0.98 . ?
C5 H5C 0.98 . ?
C6 C7 1.412(4) . ?
C6 C11 1.413(4) . ?
C7 C8 1.386(4) . ?
C7 C12 1.518(5) . ?
C8 C9 1.368(5) . ?
C8 H8 0.95 . ?
C9 C10 1.385(5) . ?
C9 H9 0.95 . ?
C10 C11 1.391(4) . ?
C10 H10 0.95 . ?
C11 C15 1.526(4) . ?
C12 C13 1.534(5) . ?
C12 C14 1.536(5) . ?
C12 H12 1 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 C16 1.529(4) . ?
C15 C17 1.529(4) . ?
C15 H15 1 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 C23 1.406(4) . ?
C18 C19 1.413(4) . ?
C19 C20 1.392(4) . ?
C19 C24 1.524(4) . ?
C20 C21 1.380(5) . ?
C20 H20 0.95 . ?
C21 C22 1.379(4) . ?
C21 H21 0.95 . ?
C22 C23 1.394(4) . ?
C22 H22 0.95 . ?
C23 C27 1.516(4) . ?
C24 C25 1.524(5) . ?
C24 C26 1.524(5) . ?
C24 H24 1 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 C29 1.529(4) . ?
C27 C28 1.533(4) . ?
C27 H27 1 . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 C35 1.423(4) . ?
C30 C31 1.431(4) . ?
C31 C32 1.391(4) . ?
C31 C36 1.544(4) . ?
C32 C33 1.392(4) . ?
C32 H32 0.95 . ?
C33 C34 1.376(4) . ?
C33 C40 1.511(4) . ?
C34 C35 1.400(4) . ?
C34 H34 0.95 . ?
C35 C41 1.543(4) . ?
C36 C37 1.531(4) . ?
C36 C39 1.535(4) . ?
C36 C38 1.535(4) . ?
C37 H37A 0.98 . ?
C37 H37B 0.98 . ?
C37 H37C 0.98 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 C42 1.528(5) . ?
C41 C43 1.529(4) . ?
C41 C44 1.544(4) . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 H43A 0.98 . ?
C43 H43B 0.98 . ?
C43 H43C 0.98 . ?
C44 H44A 0.98 . ?
C44 H44B 0.98 . ?
C44 H44C 0.98 . ?
