#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:37:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179069 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/31/4303127.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_4303127
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           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             2007-12-04T10:13:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.184(2)
_cell_angle_beta                 101.586(2)
_cell_angle_gamma                96.650(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5515(3)
_cell_length_b                   11.9654(3)
_cell_length_c                   16.9123(6)
_cell_measurement_reflns_used    21360
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     1626.69(9)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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      -0.120441
_diffrn_orient_matrix_UB_12      -0.86371E-2
_diffrn_orient_matrix_UB_13      -0.183088E-1
_diffrn_orient_matrix_UB_21      0.108839E-1
_diffrn_orient_matrix_UB_22      0.154028E-1
_diffrn_orient_matrix_UB_23      -0.544947E-1
_diffrn_orient_matrix_UB_31      -0.67947E-2
_diffrn_orient_matrix_UB_32      -0.852871E-1
_diffrn_orient_matrix_UB_33      -0.244686E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22226
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         3.45
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    5.211
_exptl_absorpt_correction_T_max  0.5178
_exptl_absorpt_correction_T_min  0.4169
_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    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.094
_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     341
_refine_ls_number_reflns         6353
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0275P)²+1.5209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0627
_reflns_number_gt                5674
_reflns_number_total             6353
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900134f_si_002_5.cif
_cod_data_source_block           (8)-dec107
_cod_database_code               4303127
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 0.373119(18) 0.179784(11) 0.187591(8) 0.03086(6) Uani 1 1 d . A .
O O 0.6200(4) 0.1781(3) 0.18656(18) 0.0468(7) Uani 1 1 d . . .
N1 N 0.4223(3) 0.3702(2) 0.26636(17) 0.0242(6) Uani 1 1 d . . .
N2 N 0.4020(4) 0.1479(2) 0.31867(18) 0.0269(7) Uani 1 1 d . . .
C1 C 0.3731(4) 0.4039(3) 0.3356(2) 0.0255(7) Uani 1 1 d . A .
C2 C 0.3287(4) 0.3292(3) 0.3839(2) 0.0300(8) Uani 1 1 d . . .
H2 H 0.2724 0.3606 0.4246 0.036 Uiso 1 1 calc R A .
C3 C 0.3562(4) 0.2150(3) 0.3801(2) 0.0273(8) Uani 1 1 d . A .
C4 C 0.3632(5) 0.5311(3) 0.3685(3) 0.0381(9) Uani 1 1 d . . .
H4A H 0.4723 0.5773 0.3857 0.057 Uiso 1 1 calc R A .
H4B H 0.3138 0.5402 0.4166 0.057 Uiso 1 1 calc R . .
H4C H 0.2969 0.558 0.3245 0.057 Uiso 1 1 calc R . .
C5 C 0.3327(6) 0.1687(4) 0.4542(3) 0.0415(10) Uani 1 1 d . . .
H5A H 0.2928 0.0847 0.4352 0.062 Uiso 1 1 calc R A .
H5B H 0.2538 0.2078 0.4799 0.062 Uiso 1 1 calc R . .
H5C H 0.4363 0.1839 0.4954 0.062 Uiso 1 1 calc R . .
C6 C 0.4883(4) 0.4526(3) 0.2268(2) 0.0283(8) Uani 1 1 d . A .
C7 C 0.3887(5) 0.4802(3) 0.1594(2) 0.0329(9) Uani 1 1 d . . .
C8 C 0.4590(6) 0.5567(4) 0.1202(3) 0.0465(11) Uani 1 1 d . A .
H8 H 0.3938 0.5759 0.0743 0.056 Uiso 1 1 calc R . .
C9 C 0.6209(6) 0.6050(4) 0.1467(3) 0.0490(12) Uani 1 1 d . . .
H9 H 0.6656 0.6587 0.1203 0.059 Uiso 1 1 calc R A .
C10 C 0.7170(5) 0.5753(3) 0.2111(3) 0.0418(10) Uani 1 1 d . A .
H10 H 0.8287 0.6085 0.2282 0.05 Uiso 1 1 calc R . .
C11 C 0.6557(5) 0.4976(3) 0.2524(2) 0.0302(8) Uani 1 1 d . . .
C12 C 0.2099(5) 0.4287(3) 0.1274(2) 0.0356(9) Uani 1 1 d . A .
H12 H 0.1798 0.381 0.1652 0.043 Uiso 1 1 calc R . .
C13 C 0.1757(6) 0.3477(4) 0.0387(3) 0.0527(12) Uani 1 1 d . . .
H13A H 0.2039 0.3927 0.0003 0.079 Uiso 1 1 calc R A .
H13B H 0.0605 0.3134 0.0203 0.079 Uiso 1 1 calc R . .
H13C H 0.2409 0.2856 0.0389 0.079 Uiso 1 1 calc R . .
C14 C 0.1031(6) 0.5225(4) 0.1281(3) 0.0474(11) Uani 1 1 d . . .
H14A H 0.1239 0.5732 0.1849 0.071 Uiso 1 1 calc R A .
H14B H -0.0111 0.4856 0.11 0.071 Uiso 1 1 calc R . .
H14C H 0.1278 0.5689 0.09 0.071 Uiso 1 1 calc R . .
C15 C 0.7667(5) 0.4635(4) 0.3206(3) 0.0443(10) Uani 1 1 d . A .
H15 H 0.706 0.3935 0.3307 0.053 Uiso 1 1 calc R . .
C16 C 0.8115(10) 0.5556(8) 0.4016(4) 0.138(4) Uani 1 1 d . . .
H16A H 0.8717 0.6259 0.3943 0.208 Uiso 1 1 calc R A .
H16B H 0.8793 0.5273 0.4443 0.208 Uiso 1 1 calc R . .
H16C H 0.713 0.5739 0.4192 0.208 Uiso 1 1 calc R . .
C17 C 0.9178(7) 0.4287(6) 0.2967(4) 0.0815(18) Uani 1 1 d . . .
H17A H 0.9855 0.497 0.2909 0.122 Uiso 1 1 calc R A .
H17B H 0.8881 0.3689 0.2434 0.122 Uiso 1 1 calc R . .
H17C H 0.9782 0.3976 0.3401 0.122 Uiso 1 1 calc R . .
C18 C 0.4534(5) 0.0394(3) 0.3247(2) 0.0297(8) Uani 1 1 d . A .
C19 C 0.3471(5) -0.0660(3) 0.2841(2) 0.0346(9) Uani 1 1 d . . .
C20 C 0.4075(6) -0.1694(4) 0.2842(3) 0.0459(11) Uani 1 1 d . A .
H20 H 0.3384 -0.2415 0.256 0.055 Uiso 1 1 calc R . .
C21 C 0.5627(6) -0.1698(4) 0.3238(3) 0.0459(11) Uani 1 1 d . . .
H21 H 0.6003 -0.2416 0.3232 0.055 Uiso 1 1 calc R A .
C22 C 0.6645(5) -0.0667(4) 0.3643(3) 0.0448(10) Uani 1 1 d . A .
H22 H 0.7722 -0.0683 0.392 0.054 Uiso 1 1 calc R . .
C23 C 0.6143(5) 0.0406(3) 0.3660(3) 0.0371(9) Uani 1 1 d . . .
C24 C 0.1731(5) -0.0708(3) 0.2400(3) 0.0393(9) Uani 1 1 d . A .
H24 H 0.1525 0.011 0.247 0.047 Uiso 1 1 calc R . .
C25 C 0.1412(7) -0.1277(4) 0.1463(3) 0.0604(14) Uani 1 1 d . . .
H25A H 0.2193 -0.0877 0.1225 0.091 Uiso 1 1 calc R A .
H25B H 0.0311 -0.1221 0.1189 0.091 Uiso 1 1 calc R . .
H25C H 0.1529 -0.2099 0.1375 0.091 Uiso 1 1 calc R . .
C26 C 0.0549(6) -0.1344(4) 0.2786(3) 0.0580(13) Uani 1 1 d . . .
H26A H 0.0745 -0.2144 0.2739 0.087 Uiso 1 1 calc R A .
H26B H -0.0565 -0.1355 0.249 0.087 Uiso 1 1 calc R . .
H26C H 0.0709 -0.0938 0.3376 0.087 Uiso 1 1 calc R . .
C27 C 0.7319(6) 0.1532(4) 0.4115(3) 0.0568(13) Uani 1 1 d . A .
H27 H 0.673 0.2196 0.4063 0.068 Uiso 1 1 calc R . .
C28 C 0.7897(8) 0.1609(6) 0.5051(4) 0.0809(18) Uani 1 1 d . . .
H28A H 0.6957 0.1458 0.5284 0.121 Uiso 1 1 calc R A .
H28B H 0.8506 0.239 0.5342 0.121 Uiso 1 1 calc R . .
H28C H 0.8596 0.1028 0.5122 0.121 Uiso 1 1 calc R . .
C29 C 0.8747(7) 0.1658(6) 0.3721(4) 0.0819(19) Uani 1 1 d . . .
H29A H 0.9341 0.1012 0.3758 0.123 Uiso 1 1 calc R A .
H29B H 0.9467 0.2398 0.4016 0.123 Uiso 1 1 calc R . .
H29C H 0.8357 0.1647 0.3132 0.123 Uiso 1 1 calc R . .
C30 C 0.6502(10) 0.0983(7) 0.1173(5) 0.052(2) Uiso 0.610(11) 1 d PD A 1
H30 H 0.544 0.0683 0.0759 0.062 Uiso 0.610(11) 1 calc PR A 1
C31 C 0.7564(12) 0.1620(9) 0.0769(7) 0.079(3) Uiso 0.610(11) 1 d PD A 1
H31A H 0.7789 0.1068 0.0289 0.094 Uiso 0.610(11) 1 calc PR A 1
H31B H 0.8609 0.1975 0.1173 0.094 Uiso 0.610(11) 1 calc PR A 1
C32 C 0.6754(12) 0.2585(8) 0.0461(6) 0.062(3) Uiso 0.610(11) 1 d PD A 1
H32A H 0.7478 0.2997 0.0199 0.092 Uiso 0.610(11) 1 calc PR A 1
H32B H 0.6543 0.3137 0.0937 0.092 Uiso 0.610(11) 1 calc PR A 1
H32C H 0.5731 0.2233 0.0053 0.092 Uiso 0.610(11) 1 calc PR A 1
C33 C 0.7165(15) -0.0083(10) 0.1382(7) 0.079(3) Uiso 0.610(11) 1 d PD A 1
H33A H 0.6419 -0.0484 0.1639 0.119 Uiso 0.610(11) 1 calc PR A 1
H33B H 0.823 0.0172 0.1772 0.119 Uiso 0.610(11) 1 calc PR A 1
H33C H 0.7268 -0.0616 0.0868 0.119 Uiso 0.610(11) 1 calc PR A 1
C30A C 0.6484(14) 0.1416(10) 0.0986(8) 0.045(3) Uiso 0.390(11) 1 d PD A 2
H30A H 0.5429 0.1095 0.0568 0.054 Uiso 0.390(11) 1 calc PR A 2
C31A C 0.7507(17) 0.0486(11) 0.1017(10) 0.069(5) Uiso 0.390(11) 1 d PD A 2
H31C H 0.8542 0.0805 0.1438 0.083 Uiso 0.390(11) 1 calc PR A 2
H31D H 0.7756 0.0203 0.0466 0.083 Uiso 0.390(11) 1 calc PR A 2
C32A C 0.6558(19) -0.0545(13) 0.1254(10) 0.066(4) Uiso 0.390(11) 1 d PD A 2
H32D H 0.7222 -0.1157 0.128 0.099 Uiso 0.390(11) 1 calc PR A 2
H32E H 0.5544 -0.0864 0.083 0.099 Uiso 0.390(11) 1 calc PR A 2
H32F H 0.6316 -0.0259 0.18 0.099 Uiso 0.390(11) 1 calc PR A 2
C33A C 0.739(2) 0.2457(14) 0.0758(12) 0.079(5) Uiso 0.390(11) 1 d PD A 2
H33D H 0.6743 0.3081 0.0775 0.119 Uiso 0.390(11) 1 calc PR A 2
H33E H 0.7573 0.2197 0.0195 0.119 Uiso 0.390(11) 1 calc PR A 2
H33F H 0.844 0.2749 0.1161 0.119 Uiso 0.390(11) 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 94.08(11) . . ?
O Pb N1 93.33(10) . . ?
N2 Pb N1 80.76(10) . . ?
C30 O Pb 115.8(4) . . ?
C30A O Pb 113.3(5) . . ?
C1 N1 C6 121.7(3) . . ?
C1 N1 Pb 123.5(2) . . ?
C6 N1 Pb 114.1(2) . . ?
C3 N2 C18 122.0(3) . . ?
C3 N2 Pb 123.4(2) . . ?
C18 N2 Pb 114.1(2) . . ?
N1 C1 C2 124.5(3) . . ?
N1 C1 C4 119.8(3) . . ?
C2 C1 C4 115.7(3) . . ?
C3 C2 C1 128.9(3) . . ?
C3 C2 H2 115.6 . . ?
C1 C2 H2 115.6 . . ?
N2 C3 C2 125.0(3) . . ?
N2 C3 C5 119.1(3) . . ?
C2 C3 C5 115.9(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 121.1(3) . . ?
C7 C6 N1 119.8(3) . . ?
C11 C6 N1 118.8(3) . . ?
C8 C7 C6 118.1(4) . . ?
C8 C7 C12 119.3(4) . . ?
C6 C7 C12 122.6(3) . . ?
C9 C8 C7 121.4(4) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 122.0(4) . . ?
C9 C10 H10 119 . . ?
C11 C10 H10 119 . . ?
C10 C11 C6 117.5(4) . . ?
C10 C11 C15 120.4(4) . . ?
C6 C11 C15 122.2(3) . . ?
C7 C12 C14 112.2(3) . . ?
C7 C12 C13 111.1(3) . . ?
C14 C12 C13 109.6(3) . . ?
C7 C12 H12 107.9 . . ?
C14 C12 H12 107.9 . . ?
C13 C12 H12 107.9 . . ?
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 . . ?
C16 C15 C11 113.0(4) . . ?
C16 C15 C17 109.6(5) . . ?
C11 C15 C17 113.0(4) . . ?
C16 C15 H15 107 . . ?
C11 C15 H15 107 . . ?
C17 C15 H15 107 . . ?
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 . . ?
C19 C18 C23 121.2(3) . . ?
C19 C18 N2 119.7(3) . . ?
C23 C18 N2 119.0(3) . . ?
C20 C19 C18 117.7(4) . . ?
C20 C19 C24 119.6(4) . . ?
C18 C19 C24 122.7(3) . . ?
C21 C20 C19 121.9(4) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C20 C21 C22 119.9(4) . . ?
C20 C21 H21 120 . . ?
C22 C21 H21 120 . . ?
C21 C22 C23 121.8(4) . . ?
C21 C22 H22 119.1 . . ?
C23 C22 H22 119.1 . . ?
C22 C23 C18 117.5(4) . . ?
C22 C23 C27 120.0(4) . . ?
C18 C23 C27 122.5(4) . . ?
C19 C24 C25 111.7(4) . . ?
C19 C24 C26 111.4(4) . . ?
C25 C24 C26 110.1(4) . . ?
C19 C24 H24 107.8 . . ?
C25 C24 H24 107.8 . . ?
C26 C24 H24 107.8 . . ?
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 . . ?
C29 C27 C23 111.3(5) . . ?
C29 C27 C28 110.7(4) . . ?
C23 C27 C28 111.3(4) . . ?
C29 C27 H27 107.8 . . ?
C23 C27 H27 107.8 . . ?
C28 C27 H27 107.8 . . ?
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 C31 109.0(7) . . ?
O C30 C33 114.4(7) . . ?
C31 C30 C33 112.2(8) . . ?
O C30 H30 106.9 . . ?
C31 C30 H30 106.9 . . ?
C33 C30 H30 106.9 . . ?
C30 C31 C32 110.9(8) . . ?
C30 C31 H31A 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 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 . . ?
C31A C30A O 104.7(9) . . ?
C31A C30A C33A 110.2(11) . . ?
O C30A C33A 111.2(10) . . ?
C31A C30A H30A 110.2 . . ?
O C30A H30A 110.2 . . ?
C33A C30A H30A 110.2 . . ?
C30A C31A C32A 108.9(11) . . ?
C30A C31A H31C 109.9 . . ?
C32A C31A H31C 109.9 . . ?
C30A C31A H31D 109.9 . . ?
C32A C31A H31D 109.9 . . ?
H31C C31A H31D 108.3 . . ?
C31A C32A H32D 109.5 . . ?
C31A C32A H32E 109.5 . . ?
H32D C32A H32E 109.5 . . ?
C31A C32A H32F 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
C30A C33A H33D 109.5 . . ?
C30A C33A H33E 109.5 . . ?
H33D C33A H33E 109.5 . . ?
C30A C33A H33F 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 2.117(3) . ?
Pb N2 2.304(3) . ?
Pb N1 2.305(3) . ?
O C30 1.421(8) . ?
O C30A 1.529(12) . ?
N1 C1 1.317(4) . ?
N1 C6 1.436(4) . ?
N2 C3 1.316(5) . ?
N2 C18 1.437(4) . ?
C1 C2 1.410(5) . ?
C1 C4 1.515(5) . ?
C2 C3 1.403(5) . ?
C2 H2 0.95 . ?
C3 C5 1.521(5) . ?
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 1.407(5) . ?
C6 C11 1.412(5) . ?
C7 C8 1.396(6) . ?
C7 C12 1.519(6) . ?
C8 C9 1.378(7) . ?
C8 H8 0.95 . ?
C9 C10 1.368(6) . ?
C9 H9 0.95 . ?
C10 C11 1.399(5) . ?
C10 H10 0.95 . ?
C11 C15 1.505(6) . ?
C12 C14 1.526(6) . ?
C12 C13 1.540(6) . ?
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 1.497(7) . ?
C15 C17 1.505(7) . ?
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 C19 1.407(5) . ?
C18 C23 1.409(6) . ?
C19 C20 1.394(6) . ?
C19 C24 1.512(6) . ?
C20 C21 1.362(7) . ?
C20 H20 0.95 . ?
C21 C22 1.369(6) . ?
C21 H21 0.95 . ?
C22 C23 1.397(6) . ?
C22 H22 0.95 . ?
C23 C27 1.523(6) . ?
C24 C25 1.529(6) . ?
C24 C26 1.529(6) . ?
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 1.512(7) . ?
C27 C28 1.539(8) . ?
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 C31 1.484(11) . ?
C30 C33 1.537(12) . ?
C30 H30 1 . ?
C31 C32 1.549(13) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C30A C31A 1.497(14) . ?
C30A C33A 1.556(16) . ?
C30A H30A 1 . ?
C31A C32A 1.571(16) . ?
C31A H31C 0.99 . ?
C31A H31D 0.99 . ?
C32A H32D 0.98 . ?
C32A H32E 0.98 . ?
C32A H32F 0.98 . ?
C33A H33D 0.98 . ?
C33A H33E 0.98 . ?
C33A H33F 0.98 . ?
