#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:37:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179069 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/31/4303124.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_4303124
loop_
_publ_author_name
'Eric C. Y. Tam'
'Nick C. Johnstone'
'Lorenzo Ferro'
'Peter B. Hitchcock'
'J. Robin Fulton'
_publ_section_title
;
Carbon Dioxide Activation by "Non-nucleophilic" Lead Alkoxides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8971
_journal_page_last               8976
_journal_paper_doi               10.1021/ic900134f
_journal_volume                  48
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C33 H50 N2 O Pb'
_chemical_formula_sum            'C33 H50 N2 O Pb'
_chemical_formula_weight         697.94
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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      2.3
_audit_creation_date             2006-08-14T15:24:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 108.168(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3743(1)
_cell_length_b                   16.8363(2)
_cell_length_c                   15.2434(2)
_cell_measurement_reflns_used    43662
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.682
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     3261.29(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-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_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      0.163709E-1
_diffrn_orient_matrix_UB_12      -0.192764E-1
_diffrn_orient_matrix_UB_13      0.650103E-1
_diffrn_orient_matrix_UB_21      0.758656E-1
_diffrn_orient_matrix_UB_22      -0.54234E-2
_diffrn_orient_matrix_UB_23      0.43882E-2
_diffrn_orient_matrix_UB_31      0.130016E-1
_diffrn_orient_matrix_UB_32      0.559181E-1
_diffrn_orient_matrix_UB_33      0.228364E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41847
_diffrn_reflns_theta_full        25.82
_diffrn_reflns_theta_max         25.82
_diffrn_reflns_theta_min         3.43
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    5.198
_exptl_absorpt_correction_T_max  0.5941
_exptl_absorpt_correction_T_min  0.4510
_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    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.365
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.103
_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     334
_refine_ls_number_reflns         6251
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.033
_refine_ls_R_factor_gt           0.0266
_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)+(0.0325P)²+4.2984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0668
_reflns_number_gt                5497
_reflns_number_total             6251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900134f_si_002_2.cif
_cod_data_source_block           (3)-aug1006
_cod_original_cell_volume        3261.29(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4303124
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb 0.416795(10) 0.158668(7) 0.566996(9) 0.02177(6) Uani 1 1 d . A .
O O 0.2859(2) 0.13917(15) 0.44705(18) 0.0304(6) Uani 1 1 d . . .
N1 N 0.4142(2) 0.29459(17) 0.5427(2) 0.0222(6) Uani 1 1 d . . .
N2 N 0.3101(2) 0.19540(17) 0.6526(2) 0.0224(6) Uani 1 1 d . . .
C1 C 0.4159(3) 0.34475(19) 0.6103(3) 0.0233(8) Uani 1 1 d . A .
C2 C 0.3852(3) 0.3259(2) 0.6880(3) 0.0248(8) Uani 1 1 d . . .
H2 H 0.408 0.3623 0.7379 0.03 Uiso 1 1 calc R A .
C3 C 0.3262(3) 0.2615(2) 0.7027(2) 0.0234(8) Uani 1 1 d . A .
C4 C 0.4512(3) 0.4300(2) 0.6043(3) 0.0314(9) Uani 1 1 d . . .
H4C H 0.4115 0.4526 0.5443 0.047 Uiso 1 1 calc R A .
H4B H 0.5265 0.4308 0.6111 0.047 Uiso 1 1 calc R . .
H4A H 0.4383 0.4616 0.6537 0.047 Uiso 1 1 calc R . .
C5 C 0.2754(3) 0.2699(2) 0.7780(3) 0.0336(9) Uani 1 1 d . . .
H5C H 0.2848 0.2206 0.8137 0.05 Uiso 1 1 calc R A .
H5B H 0.2002 0.2807 0.7502 0.05 Uiso 1 1 calc R . .
H5A H 0.3085 0.3139 0.8188 0.05 Uiso 1 1 calc R . .
C6 C 0.4371(3) 0.3196(2) 0.4616(3) 0.0281(8) Uani 1 1 d . A .
C7 C 0.3517(4) 0.3365(2) 0.3815(3) 0.0345(10) Uani 1 1 d . . .
C8 C 0.3753(5) 0.3593(3) 0.3025(3) 0.0503(13) Uani 1 1 d . A .
H8 H 0.3194 0.3717 0.2482 0.06 Uiso 1 1 calc R . .
C9 C 0.4776(5) 0.3642(3) 0.3008(3) 0.0530(14) Uani 1 1 d . . .
H9 H 0.4916 0.3801 0.246 0.064 Uiso 1 1 calc R A .
C10 C 0.5592(4) 0.3460(3) 0.3787(4) 0.0467(12) Uani 1 1 d . A .
H10 H 0.6294 0.3492 0.3767 0.056 Uiso 1 1 calc R . .
C11 C 0.5418(3) 0.3231(2) 0.4605(3) 0.0339(9) Uani 1 1 d . . .
C12 C 0.2393(4) 0.3285(2) 0.3819(3) 0.0397(10) Uani 1 1 d . A .
H12 H 0.2369 0.283 0.4233 0.048 Uiso 1 1 calc R . .
C13 C 0.1626(4) 0.3095(3) 0.2860(3) 0.0598(15) Uani 1 1 d . . .
H13C H 0.1647 0.3524 0.2431 0.09 Uiso 1 1 calc R A .
H13B H 0.0911 0.3047 0.2899 0.09 Uiso 1 1 calc R . .
H13A H 0.1831 0.2594 0.2637 0.09 Uiso 1 1 calc R . .
C14 C 0.2010(4) 0.4020(3) 0.4205(4) 0.0666(16) Uani 1 1 d . . .
H14C H 0.2458 0.4111 0.4841 0.1 Uiso 1 1 calc R A .
H14B H 0.1282 0.3938 0.4196 0.1 Uiso 1 1 calc R . .
H14A H 0.2045 0.4482 0.3825 0.1 Uiso 1 1 calc R . .
C15 C 0.6345(3) 0.3007(3) 0.5434(3) 0.0410(10) Uani 1 1 d . A .
H15 H 0.6074 0.2925 0.5969 0.049 Uiso 1 1 calc R . .
C16 C 0.7187(4) 0.3668(4) 0.5700(4) 0.0609(14) Uani 1 1 d . . .
H16C H 0.7458 0.3767 0.5182 0.091 Uiso 1 1 calc R A .
H16B H 0.7766 0.35 0.6241 0.091 Uiso 1 1 calc R . .
H16A H 0.6872 0.4156 0.5846 0.091 Uiso 1 1 calc R . .
C17 C 0.6844(4) 0.2231(3) 0.5268(4) 0.0591(14) Uani 1 1 d . . .
H17C H 0.6319 0.1805 0.5149 0.089 Uiso 1 1 calc R A .
H17B H 0.7436 0.2099 0.5815 0.089 Uiso 1 1 calc R . .
H17A H 0.7096 0.229 0.4733 0.089 Uiso 1 1 calc R . .
C18 C 0.2335(3) 0.1376(2) 0.6574(3) 0.0234(8) Uani 1 1 d . A .
C19 C 0.1280(3) 0.1477(2) 0.6022(3) 0.0274(8) Uani 1 1 d . . .
C20 C 0.0575(3) 0.0850(2) 0.5970(3) 0.0338(9) Uani 1 1 d . A .
H20 H -0.0136 0.0902 0.5593 0.041 Uiso 1 1 calc R . .
C21 C 0.0900(3) 0.0156(3) 0.6461(3) 0.0399(10) Uani 1 1 d . . .
H21 H 0.0417 -0.0269 0.6407 0.048 Uiso 1 1 calc R A .
C22 C 0.1923(3) 0.0080(2) 0.7027(3) 0.0348(9) Uani 1 1 d . A .
H22 H 0.2133 -0.0394 0.7374 0.042 Uiso 1 1 calc R . .
C23 C 0.2656(3) 0.0685(2) 0.7101(3) 0.0280(8) Uani 1 1 d . . .
C24 C 0.0877(3) 0.2239(2) 0.5493(3) 0.0338(9) Uani 1 1 d . A .
H24 H 0.149 0.2606 0.5587 0.041 Uiso 1 1 calc R . .
C25 C 0.0413(4) 0.2092(3) 0.4469(3) 0.0511(12) Uani 1 1 d . . .
H25C H 0.0951 0.186 0.4233 0.077 Uiso 1 1 calc R A .
H25B H 0.0169 0.2595 0.4152 0.077 Uiso 1 1 calc R . .
H25A H -0.0181 0.1724 0.4358 0.077 Uiso 1 1 calc R . .
C26 C 0.0069(4) 0.2654(3) 0.5866(4) 0.0574(14) Uani 1 1 d . . .
H26C H -0.0531 0.23 0.58 0.086 Uiso 1 1 calc R A .
H26B H -0.0175 0.3144 0.5517 0.086 Uiso 1 1 calc R . .
H26A H 0.0398 0.2784 0.652 0.086 Uiso 1 1 calc R . .
C27 C 0.3767(3) 0.0574(2) 0.7757(3) 0.0345(9) Uani 1 1 d . A .
H27 H 0.4184 0.1055 0.771 0.041 Uiso 1 1 calc R . .
C28 C 0.3767(4) 0.0506(3) 0.8759(3) 0.0560(13) Uani 1 1 d . . .
H28C H 0.3472 0.0991 0.8933 0.084 Uiso 1 1 calc R A .
H28B H 0.449 0.0434 0.9165 0.084 Uiso 1 1 calc R . .
H28A H 0.334 0.0048 0.8819 0.084 Uiso 1 1 calc R . .
C29 C 0.4311(4) -0.0150(3) 0.7499(4) 0.0542(13) Uani 1 1 d . . .
H29C H 0.3905 -0.0629 0.7521 0.081 Uiso 1 1 calc R A .
H29B H 0.5022 -0.0201 0.7937 0.081 Uiso 1 1 calc R . .
H29A H 0.4355 -0.0081 0.6874 0.081 Uiso 1 1 calc R . .
C30 C 0.2763(3) 0.0686(2) 0.3946(3) 0.0414(11) Uani 0.637(15) 1 d PD A 1
C31 C 0.1898(7) 0.0800(6) 0.3035(5) 0.044(2) Uiso 0.637(15) 1 d PD A 1
H31A H 0.126 0.0994 0.3152 0.066 Uiso 0.637(15) 1 calc PR A 1
H31B H 0.1748 0.0292 0.2706 0.066 Uiso 0.637(15) 1 calc PR A 1
H31C H 0.2126 0.1188 0.2657 0.066 Uiso 0.637(15) 1 calc PR A 1
C32 C 0.3725(5) 0.0401(6) 0.3783(6) 0.055(3) Uiso 0.637(15) 1 d PD A 1
H32A H 0.4275 0.0325 0.4376 0.082 Uiso 0.637(15) 1 calc PR A 1
H32B H 0.396 0.0793 0.3414 0.082 Uiso 0.637(15) 1 calc PR A 1
H32C H 0.3582 -0.0105 0.3449 0.082 Uiso 0.637(15) 1 calc PR A 1
C33 C 0.2373(7) 0.0035(5) 0.4519(5) 0.051(3) Uiso 0.637(15) 1 d PD A 1
H33A H 0.1727 0.0219 0.4628 0.077 Uiso 0.637(15) 1 calc PR A 1
H33B H 0.2919 -0.0052 0.5112 0.077 Uiso 0.637(15) 1 calc PR A 1
H33C H 0.2233 -0.0464 0.4171 0.077 Uiso 0.637(15) 1 calc PR A 1
C30A C 0.2763(3) 0.0686(2) 0.3946(3) 0.0414(11) Uani 0.363(15) 1 d P A 2
C31A C 0.1732(8) 0.0711(8) 0.3186(9) 0.029(3) Uiso 0.363(15) 1 d PD A 2
H31D H 0.1678 0.121 0.2843 0.043 Uiso 0.363(15) 1 calc PR A 2
H31E H 0.1154 0.0677 0.3451 0.043 Uiso 0.363(15) 1 calc PR A 2
H31F H 0.1691 0.0263 0.2766 0.043 Uiso 0.363(15) 1 calc PR A 2
C32A C 0.3666(10) 0.0793(11) 0.3488(11) 0.065(5) Uiso 0.363(15) 1 d PD A 2
H32D H 0.3549 0.1286 0.3128 0.097 Uiso 0.363(15) 1 calc PR A 2
H32E H 0.3658 0.0342 0.308 0.097 Uiso 0.363(15) 1 calc PR A 2
H32F H 0.4349 0.0818 0.3971 0.097 Uiso 0.363(15) 1 calc PR A 2
C33A C 0.2955(15) -0.0064(8) 0.4477(11) 0.074(6) Uiso 0.363(15) 1 d PD A 2
H33D H 0.364 -0.0037 0.4958 0.112 Uiso 0.363(15) 1 calc PR A 2
H33E H 0.2953 -0.0508 0.4061 0.112 Uiso 0.363(15) 1 calc PR A 2
H33F H 0.2401 -0.0144 0.4763 0.112 Uiso 0.363(15) 1 calc PR A 2
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 92.26(10) . . ?
O Pb N1 92.74(10) . . ?
N2 Pb N1 81.04(10) . . ?
C30 O Pb 121.4(2) . . ?
C1 N1 C6 121.9(3) . . ?
C1 N1 Pb 120.6(2) . . ?
C6 N1 Pb 115.7(2) . . ?
C3 N2 C18 122.1(3) . . ?
C3 N2 Pb 122.2(2) . . ?
C18 N2 Pb 115.2(2) . . ?
N1 C1 C2 124.9(3) . . ?
N1 C1 C4 118.9(3) . . ?
C2 C1 C4 116.1(3) . . ?
C3 C2 C1 129.6(3) . . ?
C3 C2 H2 115.2 . . ?
C1 C2 H2 115.2 . . ?
N2 C3 C2 123.7(3) . . ?
N2 C3 C5 118.9(3) . . ?
C2 C3 C5 117.3(3) . . ?
C1 C4 H4C 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4C C4 H4B 109.5 . . ?
C1 C4 H4A 109.5 . . ?
H4C C4 H4A 109.5 . . ?
H4B C4 H4A 109.5 . . ?
C3 C5 H5C 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5C C5 H5B 109.5 . . ?
C3 C5 H5A 109.5 . . ?
H5C C5 H5A 109.5 . . ?
H5B C5 H5A 109.5 . . ?
C11 C6 C7 121.3(4) . . ?
C11 C6 N1 120.4(3) . . ?
C7 C6 N1 118.2(4) . . ?
C8 C7 C6 117.5(4) . . ?
C8 C7 C12 121.5(4) . . ?
C6 C7 C12 121.0(4) . . ?
C9 C8 C7 121.8(5) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C10 C9 C8 119.7(4) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 121.7(5) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 H10 119.1 . . ?
C10 C11 C6 117.9(4) . . ?
C10 C11 C15 119.6(4) . . ?
C6 C11 C15 122.5(4) . . ?
C7 C12 C14 112.5(4) . . ?
C7 C12 C13 112.6(4) . . ?
C14 C12 C13 109.4(4) . . ?
C7 C12 H12 107.4 . . ?
C14 C12 H12 107.4 . . ?
C13 C12 H12 107.4 . . ?
C12 C13 H13C 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13C C13 H13B 109.5 . . ?
C12 C13 H13A 109.5 . . ?
H13C C13 H13A 109.5 . . ?
H13B C13 H13A 109.5 . . ?
C12 C14 H14C 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14C C14 H14B 109.5 . . ?
C12 C14 H14A 109.5 . . ?
H14C C14 H14A 109.5 . . ?
H14B C14 H14A 109.5 . . ?
C11 C15 C17 111.2(4) . . ?
C11 C15 C16 112.3(4) . . ?
C17 C15 C16 109.9(4) . . ?
C11 C15 H15 107.8 . . ?
C17 C15 H15 107.8 . . ?
C16 C15 H15 107.8 . . ?
C15 C16 H16C 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16C C16 H16B 109.5 . . ?
C15 C16 H16A 109.5 . . ?
H16C C16 H16A 109.5 . . ?
H16B C16 H16A 109.5 . . ?
C15 C17 H17C 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17C C17 H17B 109.5 . . ?
C15 C17 H17A 109.5 . . ?
H17C C17 H17A 109.5 . . ?
H17B C17 H17A 109.5 . . ?
C23 C18 C19 120.8(3) . . ?
C23 C18 N2 119.8(3) . . ?
C19 C18 N2 119.1(3) . . ?
C20 C19 C18 118.2(4) . . ?
C20 C19 C24 119.0(4) . . ?
C18 C19 C24 122.7(3) . . ?
C21 C20 C19 121.0(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C22 C21 C20 120.0(4) . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C23 121.3(4) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C18 118.5(3) . . ?
C22 C23 C27 118.7(3) . . ?
C18 C23 C27 122.7(3) . . ?
C25 C24 C19 111.8(3) . . ?
C25 C24 C26 110.4(4) . . ?
C19 C24 C26 111.1(4) . . ?
C25 C24 H24 107.8 . . ?
C19 C24 H24 107.8 . . ?
C26 C24 H24 107.8 . . ?
C24 C25 H25C 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25C C25 H25B 109.5 . . ?
C24 C25 H25A 109.5 . . ?
H25C C25 H25A 109.5 . . ?
H25B C25 H25A 109.5 . . ?
C24 C26 H26C 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26C C26 H26B 109.5 . . ?
C24 C26 H26A 109.5 . . ?
H26C C26 H26A 109.5 . . ?
H26B C26 H26A 109.5 . . ?
C23 C27 C28 111.2(3) . . ?
C23 C27 C29 112.0(4) . . ?
C28 C27 C29 110.1(4) . . ?
C23 C27 H27 107.8 . . ?
C28 C27 H27 107.8 . . ?
C29 C27 H27 107.8 . . ?
C27 C28 H28C 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28C C28 H28B 109.5 . . ?
C27 C28 H28A 109.5 . . ?
H28C C28 H28A 109.5 . . ?
H28B C28 H28A 109.5 . . ?
C27 C29 H29C 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29C C29 H29B 109.5 . . ?
C27 C29 H29A 109.5 . . ?
H29C C29 H29A 109.5 . . ?
H29B C29 H29A 109.5 . . ?
O C30 C32 116.1(5) . . ?
O C30 C31 108.7(4) . . ?
C32 C30 C31 110.2(5) . . ?
O C30 C33 104.9(4) . . ?
C32 C30 C33 108.8(5) . . ?
C31 C30 C33 107.7(5) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 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 2.126(3) . ?
Pb N2 2.299(3) . ?
Pb N1 2.317(3) . ?
O C30 1.415(4) . ?
N1 C1 1.327(5) . ?
N1 C6 1.427(5) . ?
N2 C3 1.329(4) . ?
N2 C18 1.431(4) . ?
C1 C2 1.404(5) . ?
C1 C4 1.523(5) . ?
C2 C3 1.401(5) . ?
C2 H2 0.95 . ?
C3 C5 1.511(5) . ?
C4 H4C 0.98 . ?
C4 H4B 0.98 . ?
C4 H4A 0.98 . ?
C5 H5C 0.98 . ?
C5 H5B 0.98 . ?
C5 H5A 0.98 . ?
C6 C11 1.406(6) . ?
C6 C7 1.417(6) . ?
C7 C8 1.391(6) . ?
C7 C12 1.511(7) . ?
C8 C9 1.379(8) . ?
C8 H8 0.95 . ?
C9 C10 1.373(7) . ?
C9 H9 0.95 . ?
C10 C11 1.393(6) . ?
C10 H10 0.95 . ?
C11 C15 1.516(6) . ?
C12 C14 1.524(7) . ?
C12 C13 1.535(6) . ?
C12 H12 1 . ?
C13 H13C 0.98 . ?
C13 H13B 0.98 . ?
C13 H13A 0.98 . ?
C14 H14C 0.98 . ?
C14 H14B 0.98 . ?
C14 H14A 0.98 . ?
C15 C17 1.524(7) . ?
C15 C16 1.545(7) . ?
C15 H15 1 . ?
C16 H16C 0.98 . ?
C16 H16B 0.98 . ?
C16 H16A 0.98 . ?
C17 H17C 0.98 . ?
C17 H17B 0.98 . ?
C17 H17A 0.98 . ?
C18 C23 1.403(5) . ?
C18 C19 1.410(5) . ?
C19 C20 1.401(5) . ?
C19 C24 1.523(5) . ?
C20 C21 1.382(6) . ?
C20 H20 0.95 . ?
C21 C22 1.377(6) . ?
C21 H21 0.95 . ?
C22 C23 1.394(5) . ?
C22 H22 0.95 . ?
C23 C27 1.522(5) . ?
C24 C25 1.509(6) . ?
C24 C26 1.538(6) . ?
C24 H24 1 . ?
C25 H25C 0.98 . ?
C25 H25B 0.98 . ?
C25 H25A 0.98 . ?
C26 H26C 0.98 . ?
C26 H26B 0.98 . ?
C26 H26A 0.98 . ?
C27 C28 1.531(6) . ?
C27 C29 1.532(6) . ?
C27 H27 1 . ?
C28 H28C 0.98 . ?
C28 H28B 0.98 . ?
C28 H28A 0.98 . ?
C29 H29C 0.98 . ?
C29 H29B 0.98 . ?
C29 H29A 0.98 . ?
C30 C32 1.465(7) . ?
C30 C31 1.517(7) . ?
C30 C33 1.588(7) . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C31A H31D 0.98 . ?
C31A H31E 0.98 . ?
C31A H31F 0.98 . ?
C32A H32D 0.98 . ?
C32A H32E 0.98 . ?
C32A H32F 0.98 . ?
C33A H33D 0.98 . ?
C33A H33E 0.98 . ?
C33A H33F 0.98 . ?
