#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:19:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180072 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/18/7051865.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_7051865
loop_
_publ_author_name
'Stasch, Andreas'
'Forsyth, Craig M.'
'Jones, Cameron'
'Junk, Peter C.'
_publ_section_title
;
 Thermally stable lead(ii) amidinates and guanidinates
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              829
_journal_paper_doi               10.1039/b718537e
_journal_volume                  32
_journal_year                    2008
_chemical_formula_moiety         'C50 H70 N4 Pb'
_chemical_formula_sum            'C50 H70 N4 Pb'
_chemical_formula_weight         934.29
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.0900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9163(3)
_cell_length_b                   16.1789(3)
_cell_length_c                   20.8178(5)
_cell_measurement_temperature    123(2)
_cell_volume                     4718.26(17)
_computing_cell_refinement       'Denzo SMN (Otwinoski and Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo SMN (Otwinoski and Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Enraf Nonius KAPPA CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0723
_diffrn_reflns_av_sigmaI/netI    0.0893
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25834
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.611
_exptl_absorpt_correction_T_max  0.69
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.334
_refine_diff_density_min         -1.512
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         8289
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0780P)²+2.9509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1298
_refine_ls_wR_factor_ref         0.1455
_reflns_number_gt                5824
_reflns_number_total             8289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718537e.txt
_cod_data_source_block           pbfisoab
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7051865
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.25564(2) 0.723746(17) 0.059013(14) 0.02487(13) Uani 1 1 d . . .
N1 N 0.0948(5) 0.7043(3) 0.0650(3) 0.0244(15) Uani 1 1 d . . .
N2 N 0.2121(5) 0.6161(3) 0.1168(3) 0.0240(15) Uani 1 1 d . . .
N3 N 0.4095(4) 0.7436(4) 0.1521(3) 0.0221(14) Uani 1 1 d . . .
N4 N 0.2867(4) 0.8286(4) 0.1426(3) 0.0251(15) Uani 1 1 d . . .
C1 C 0.1212(6) 0.6338(5) 0.0952(4) 0.0255(18) Uani 1 1 d . . .
H1 H 0.0759 0.5962 0.1013 0.031 Uiso 1 1 calc R . .
C2 C -0.0043(6) 0.7247(4) 0.0328(4) 0.0271(19) Uani 1 1 d . A .
C3 C -0.0541(6) 0.7607(5) 0.0709(5) 0.035(2) Uani 1 1 d . . .
C4 C -0.1506(6) 0.7827(6) 0.0387(5) 0.049(3) Uani 1 1 d . . .
H4 H -0.1857 0.8056 0.0648 0.059 Uiso 1 1 calc R . .
C5 C -0.1938(8) 0.7712(6) -0.0302(6) 0.056(3) Uani 1 1 d . . .
H5 H -0.2590 0.7857 -0.0518 0.067 Uiso 1 1 calc R . .
C6 C -0.1426(7) 0.7386(6) -0.0682(5) 0.047(3) Uani 1 1 d . A .
H6 H -0.1731 0.7325 -0.1161 0.056 Uiso 1 1 calc R . .
C7 C -0.0488(6) 0.7147(5) -0.0389(4) 0.034(2) Uani 1 1 d . . .
C8 C -0.0079(6) 0.7752(5) 0.1482(4) 0.034(2) Uani 1 1 d . . .
H8 H 0.0627 0.7693 0.1600 0.041 Uiso 1 1 calc R . .
C9 C -0.0267(8) 0.8612(6) 0.1683(5) 0.058(3) Uani 1 1 d . . .
H9A H -0.0950 0.8677 0.1601 0.087 Uiso 1 1 calc R . .
H9B H -0.0066 0.9017 0.1409 0.087 Uiso 1 1 calc R . .
H9C H 0.0094 0.8700 0.2169 0.087 Uiso 1 1 calc R . .
C10 C -0.0392(10) 0.7102(7) 0.1863(6) 0.078(4) Uani 1 1 d . . .
H10A H -0.0007 0.7136 0.2350 0.117 Uiso 1 1 calc R . .
H10B H -0.0308 0.6557 0.1687 0.117 Uiso 1 1 calc R . .
H10C H -0.1066 0.7185 0.1804 0.117 Uiso 1 1 calc R . .
C11 C 0.0067(7) 0.6789(6) -0.0794(4) 0.049(3) Uani 0.75 1 d P A 1
H11 H 0.0758 0.6926 -0.0571 0.058 Uiso 0.75 1 calc PR A 1
C12 C -0.0271(12) 0.7078(10) -0.1527(7) 0.069(4) Uani 0.75 1 d PU A 1
H12A H 0.0124 0.6826 -0.1766 0.104 Uiso 0.75 1 calc PR A 1
H12B H -0.0219 0.7681 -0.1540 0.104 Uiso 0.75 1 calc PR A 1
H12C H -0.0939 0.6915 -0.1753 0.104 Uiso 0.75 1 calc PR A 1
C12' C 0.052(4) 0.761(3) -0.111(2) 0.069(4) Uani 0.25 1 d PU A 2
H12D H 0.0899 0.7404 -0.1378 0.104 Uiso 0.25 1 calc PR A 2
H12E H 0.0933 0.7942 -0.0725 0.104 Uiso 0.25 1 calc PR A 2
H12F H -0.0002 0.7953 -0.1397 0.104 Uiso 0.25 1 calc PR A 2
C13 C -0.0071(12) 0.5815(8) -0.0813(8) 0.068(4) Uani 0.75 1 d PU A 1
H13A H 0.0291 0.5564 -0.1076 0.102 Uiso 0.75 1 calc PR A 1
H13B H -0.0750 0.5682 -0.1029 0.102 Uiso 0.75 1 calc PR A 1
H13C H 0.0160 0.5598 -0.0345 0.102 Uiso 0.75 1 calc PR A 1
C13' C -0.041(3) 0.623(3) -0.140(2) 0.068(4) Uani 0.25 1 d PU A 2
H13D H 0.0062 0.6050 -0.1603 0.102 Uiso 0.25 1 calc PR A 2
H13E H -0.0928 0.6524 -0.1741 0.102 Uiso 0.25 1 calc PR A 2
H13F H -0.0669 0.5739 -0.1244 0.102 Uiso 0.25 1 calc PR A 2
C14 C 0.2498(5) 0.5392(4) 0.1493(4) 0.0258(19) Uani 1 1 d . . .
C15 C 0.2474(6) 0.5197(4) 0.2146(4) 0.0277(19) Uani 1 1 d . . .
C16 C 0.2824(6) 0.4431(5) 0.2421(5) 0.037(2) Uani 1 1 d . . .
H16 H 0.2778 0.4276 0.2849 0.044 Uiso 1 1 calc R . .
C17 C 0.3232(6) 0.3893(5) 0.2094(5) 0.042(2) Uani 1 1 d . . .
H17 H 0.3483 0.3381 0.2302 0.050 Uiso 1 1 calc R . .
C18 C 0.3278(6) 0.4094(5) 0.1462(5) 0.039(2) Uani 1 1 d . . .
H18 H 0.3568 0.3722 0.1239 0.047 Uiso 1 1 calc R . .
C19 C 0.2906(6) 0.4829(5) 0.1152(4) 0.032(2) Uani 1 1 d . . .
C20 C 0.2052(6) 0.5776(5) 0.2544(4) 0.036(2) Uani 1 1 d . . .
H20 H 0.1848 0.6293 0.2269 0.043 Uiso 1 1 calc R . .
C21 C 0.2804(7) 0.6015(6) 0.3237(5) 0.048(3) Uani 1 1 d . . .
H21A H 0.3052 0.5514 0.3503 0.072 Uiso 1 1 calc R . .
H21B H 0.2510 0.6371 0.3490 0.072 Uiso 1 1 calc R . .
H21C H 0.3330 0.6313 0.3158 0.072 Uiso 1 1 calc R . .
C22 C 0.1186(7) 0.5413(6) 0.2654(5) 0.056(3) Uani 1 1 d . . .
H22A H 0.0703 0.5280 0.2211 0.084 Uiso 1 1 calc R . .
H22B H 0.0924 0.5814 0.2895 0.084 Uiso 1 1 calc R . .
H22C H 0.1369 0.4908 0.2929 0.084 Uiso 1 1 calc R . .
C23 C 0.2935(7) 0.5048(5) 0.0439(4) 0.040(2) Uani 1 1 d . . .
H23 H 0.2502 0.5529 0.0255 0.048 Uiso 1 1 calc R . .
C24 C 0.3929(10) 0.5288(10) 0.0486(7) 0.101(5) Uani 1 1 d . . .
H24A H 0.4210 0.5644 0.0886 0.151 Uiso 1 1 calc R . .
H24B H 0.3905 0.5586 0.0071 0.151 Uiso 1 1 calc R . .
H24C H 0.4319 0.4789 0.0534 0.151 Uiso 1 1 calc R . .
C25 C 0.2614(13) 0.4340(9) -0.0060(6) 0.124(6) Uani 1 1 d . . .
H25A H 0.3130 0.3934 0.0030 0.185 Uiso 1 1 calc R . .
H25B H 0.2451 0.4549 -0.0528 0.185 Uiso 1 1 calc R . .
H25C H 0.2052 0.4077 -0.0007 0.185 Uiso 1 1 calc R . .
C26 C 0.3782(6) 0.8129(4) 0.1684(4) 0.0235(18) Uani 1 1 d . . .
H26 H 0.4208 0.8510 0.1984 0.028 Uiso 1 1 calc R . .
C27 C 0.5066(6) 0.7263(4) 0.1667(4) 0.0240(18) Uani 1 1 d . . .
C28 C 0.5567(6) 0.7579(5) 0.1247(4) 0.034(2) Uani 1 1 d . . .
C29 C 0.6508(7) 0.7364(6) 0.1400(6) 0.056(3) Uani 1 1 d . . .
H29 H 0.6848 0.7572 0.1123 0.067 Uiso 1 1 calc R . .
C30 C 0.6979(7) 0.6850(7) 0.1949(6) 0.064(3) Uani 1 1 d . . .
H30 H 0.7632 0.6710 0.2049 0.077 Uiso 1 1 calc R . .
C31 C 0.6488(6) 0.6555(6) 0.2336(5) 0.047(3) Uani 1 1 d . . .
H31 H 0.6813 0.6201 0.2707 0.057 Uiso 1 1 calc R . .
C32 C 0.5547(6) 0.6734(5) 0.2226(4) 0.0289(19) Uani 1 1 d . . .
C33 C 0.5044(7) 0.8093(5) 0.0621(4) 0.040(2) Uani 1 1 d . . .
H33 H 0.4428 0.8278 0.0665 0.048 Uiso 1 1 calc R . .
C34 C 0.5593(8) 0.8861(6) 0.0558(6) 0.072(4) Uani 1 1 d . . .
H34A H 0.5742 0.9191 0.0977 0.108 Uiso 1 1 calc R . .
H34B H 0.5203 0.9190 0.0166 0.108 Uiso 1 1 calc R . .
H34C H 0.6187 0.8698 0.0490 0.108 Uiso 1 1 calc R . .
C35 C 0.4806(10) 0.7562(8) -0.0015(6) 0.079(4) Uani 1 1 d . . .
H35A H 0.4451 0.7892 -0.0417 0.118 Uiso 1 1 calc R . .
H35B H 0.4414 0.7091 0.0025 0.118 Uiso 1 1 calc R . .
H35C H 0.5397 0.7359 -0.0065 0.118 Uiso 1 1 calc R . .
C36 C 0.5031(6) 0.6399(5) 0.2682(4) 0.0286(19) Uani 1 1 d . . .
H36 H 0.4329 0.6472 0.2440 0.034 Uiso 1 1 calc R . .
C37 C 0.5317(8) 0.6902(7) 0.3332(5) 0.064(3) Uani 1 1 d . . .
H37A H 0.6004 0.6842 0.3575 0.096 Uiso 1 1 calc R . .
H37B H 0.4967 0.6705 0.3624 0.096 Uiso 1 1 calc R . .
H37C H 0.5165 0.7485 0.3220 0.096 Uiso 1 1 calc R . .
C38 C 0.5226(7) 0.5484(5) 0.2845(5) 0.051(3) Uani 1 1 d . . .
H38A H 0.5910 0.5402 0.3089 0.076 Uiso 1 1 calc R . .
H38B H 0.5028 0.5166 0.2419 0.076 Uiso 1 1 calc R . .
H38C H 0.4866 0.5297 0.3133 0.076 Uiso 1 1 calc R . .
C39 C 0.2414(5) 0.8994(4) 0.1570(4) 0.0270(19) Uani 1 1 d . . .
C40 C 0.1981(6) 0.9552(5) 0.1030(5) 0.033(2) Uani 1 1 d . . .
C41 C 0.1502(6) 1.0228(5) 0.1169(5) 0.044(3) Uani 1 1 d . . .
H41 H 0.1194 1.0608 0.0814 0.053 Uiso 1 1 calc R . .
C42 C 0.1468(6) 1.0356(5) 0.1814(6) 0.045(3) Uani 1 1 d . . .
H42 H 0.1132 1.0819 0.1896 0.054 Uiso 1 1 calc R . .
C43 C 0.1907(6) 0.9828(5) 0.2333(5) 0.040(2) Uani 1 1 d . . .
H43 H 0.1884 0.9935 0.2776 0.048 Uiso 1 1 calc R . .
C44 C 0.2384(6) 0.9141(5) 0.2232(5) 0.032(2) Uani 1 1 d . . .
C45 C 0.2048(7) 0.9417(5) 0.0331(5) 0.046(3) Uani 1 1 d . . .
H45 H 0.2311 0.8848 0.0333 0.055 Uiso 1 1 calc R . .
C46 C 0.2708(11) 0.9986(9) 0.0169(8) 0.106(5) Uani 1 1 d U . .
H46A H 0.3345 0.9934 0.0516 0.159 Uiso 1 1 calc R . .
H46B H 0.2480 1.0554 0.0163 0.159 Uiso 1 1 calc R . .
H46C H 0.2740 0.9848 -0.0281 0.159 Uiso 1 1 calc R . .
C47 C 0.1095(11) 0.9428(11) -0.0217(8) 0.131(6) Uani 1 1 d U . .
H47A H 0.0666 0.9045 -0.0099 0.196 Uiso 1 1 calc R . .
H47B H 0.1159 0.9259 -0.0651 0.196 Uiso 1 1 calc R . .
H47C H 0.0830 0.9988 -0.0263 0.196 Uiso 1 1 calc R . .
C48 C 0.2877(7) 0.8571(5) 0.2838(4) 0.038(2) Uani 1 1 d . . .
H48 H 0.3087 0.8065 0.2652 0.046 Uiso 1 1 calc R . .
C49 C 0.3776(7) 0.8980(6) 0.3337(5) 0.054(3) Uani 1 1 d . . .
H49A H 0.4226 0.9099 0.3100 0.081 Uiso 1 1 calc R . .
H49B H 0.4076 0.8606 0.3721 0.081 Uiso 1 1 calc R . .
H49C H 0.3600 0.9497 0.3510 0.081 Uiso 1 1 calc R . .
C50 C 0.2195(8) 0.8291(7) 0.3206(5) 0.064(3) Uani 1 1 d . . .
H50A H 0.1975 0.8774 0.3394 0.096 Uiso 1 1 calc R . .
H50B H 0.2530 0.7911 0.3578 0.096 Uiso 1 1 calc R . .
H50C H 0.1645 0.8008 0.2880 0.096 Uiso 1 1 calc R . .
C11' C 0.0067(7) 0.6789(6) -0.0794(4) 0.049(3) Uani 0.25 1 d P A 2
H11' H 0.0618 0.6480 -0.0470 0.058 Uiso 0.25 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 0.0000 0.0000 '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'
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
N2 Pb1 N4 100.1(2) . . ?
N2 Pb1 N3 92.4(2) . . ?
N4 Pb1 N3 55.4(2) . . ?
N2 Pb1 N1 55.3(2) . . ?
N4 Pb1 N1 90.2(2) . . ?
N3 Pb1 N1 129.6(2) . . ?
N2 Pb1 C1 27.8(2) . . ?
N4 Pb1 C1 98.9(2) . . ?
N3 Pb1 C1 114.8(2) . . ?
N1 Pb1 C1 27.8(2) . . ?
N2 Pb1 C26 100.7(2) . . ?
N4 Pb1 C26 28.0(2) . . ?
N3 Pb1 C26 27.9(2) . . ?
N1 Pb1 C26 113.7(2) . . ?
C1 Pb1 C26 112.4(2) . . ?
C1 N1 C2 121.4(7) . . ?
C1 N1 Pb1 89.9(5) . . ?
C2 N1 Pb1 144.1(5) . . ?
C1 N2 C14 123.0(7) . . ?
C1 N2 Pb1 95.7(5) . . ?
C14 N2 Pb1 139.2(5) . . ?
C26 N3 C27 123.4(6) . . ?
C26 N3 Pb1 89.9(4) . . ?
C27 N3 Pb1 139.4(5) . . ?
C26 N4 C39 125.3(6) . . ?
C26 N4 Pb1 94.4(5) . . ?
C39 N4 Pb1 138.8(5) . . ?
N1 C1 N2 117.8(7) . . ?
N1 C1 Pb1 62.3(4) . . ?
N2 C1 Pb1 56.5(4) . . ?
C3 C2 C7 120.0(8) . . ?
C3 C2 N1 119.8(7) . . ?
C7 C2 N1 120.0(8) . . ?
C2 C3 C4 119.6(8) . . ?
C2 C3 C8 121.8(7) . . ?
C4 C3 C8 118.5(8) . . ?
C5 C4 C3 120.0(10) . . ?
C4 C5 C6 119.9(9) . . ?
C7 C6 C5 122.2(9) . . ?
C6 C7 C2 118.1(9) . . ?
C6 C7 C11 122.6(8) . . ?
C2 C7 C11 119.4(8) . . ?
C10 C8 C9 112.5(9) . . ?
C10 C8 C3 109.9(8) . . ?
C9 C8 C3 111.9(7) . . ?
C7 C11 C12 113.3(9) . . ?
C7 C11 C13 107.9(9) . . ?
C12 C11 C13 106.7(10) . . ?
C15 C14 C19 119.9(7) . . ?
C15 C14 N2 121.0(7) . . ?
C19 C14 N2 119.1(7) . . ?
C16 C15 C14 117.9(8) . . ?
C16 C15 C20 119.4(8) . . ?
C14 C15 C20 122.6(7) . . ?
C17 C16 C15 122.0(9) . . ?
C16 C17 C18 120.0(8) . . ?
C19 C18 C17 120.4(9) . . ?
C18 C19 C14 119.7(8) . . ?
C18 C19 C23 120.6(8) . . ?
C14 C19 C23 119.7(7) . . ?
C22 C20 C15 112.3(7) . . ?
C22 C20 C21 110.0(7) . . ?
C15 C20 C21 111.1(7) . . ?
C24 C23 C25 108.4(11) . . ?
C24 C23 C19 110.5(8) . . ?
C25 C23 C19 112.4(8) . . ?
N3 C26 N4 118.4(7) . . ?
N3 C26 Pb1 62.2(4) . . ?
N4 C26 Pb1 57.7(4) . . ?
N3 C27 C32 119.4(7) . . ?
N3 C27 C28 121.0(7) . . ?
C32 C27 C28 119.6(7) . . ?
C29 C28 C27 118.4(8) . . ?
C29 C28 C33 121.4(9) . . ?
C27 C28 C33 120.0(8) . . ?
C28 C29 C30 121.9(10) . . ?
C31 C30 C29 118.5(9) . . ?
C30 C31 C32 124.0(9) . . ?
C31 C32 C27 117.5(8) . . ?
C31 C32 C36 122.1(7) . . ?
C27 C32 C36 120.3(7) . . ?
C35 C33 C28 109.7(8) . . ?
C35 C33 C34 111.1(9) . . ?
C28 C33 C34 112.9(8) . . ?
C37 C36 C32 108.7(7) . . ?
C37 C36 C38 110.4(8) . . ?
C32 C36 C38 112.8(7) . . ?
C44 C39 N4 121.4(7) . . ?
C44 C39 C40 120.7(7) . . ?
N4 C39 C40 117.9(7) . . ?
C41 C40 C39 117.6(8) . . ?
C41 C40 C45 121.6(8) . . ?
C39 C40 C45 120.8(7) . . ?
C42 C41 C40 121.0(8) . . ?
C43 C42 C41 120.9(8) . . ?
C42 C43 C44 121.4(9) . . ?
C43 C44 C39 118.5(8) . . ?
C43 C44 C48 119.2(8) . . ?
C39 C44 C48 122.4(7) . . ?
C46 C45 C47 110.8(11) . . ?
C46 C45 C40 113.7(8) . . ?
C47 C45 C40 112.1(10) . . ?
C44 C48 C49 111.1(7) . . ?
C44 C48 C50 112.1(8) . . ?
C49 C48 C50 111.3(8) . . ?
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
Pb1 N2 2.332(6) . ?
Pb1 N4 2.359(6) . ?
Pb1 N3 2.463(6) . ?
Pb1 N1 2.465(7) . ?
Pb1 C1 2.783(8) . ?
Pb1 C26 2.784(7) . ?
N1 C1 1.296(9) . ?
N1 C2 1.436(10) . ?
N2 C1 1.305(10) . ?
N2 C14 1.435(9) . ?
N3 C26 1.303(9) . ?
N3 C27 1.403(10) . ?
N4 C26 1.309(9) . ?
N4 C39 1.413(9) . ?
C2 C3 1.388(12) . ?
C2 C7 1.419(11) . ?
C3 C4 1.409(12) . ?
C3 C8 1.536(12) . ?
C4 C5 1.368(14) . ?
C5 C6 1.379(14) . ?
C6 C7 1.376(13) . ?
C7 C11 1.487(13) . ?
C8 C10 1.485(13) . ?
C8 C9 1.506(11) . ?
C11 C12 1.508(16) . ?
C11 C13 1.588(16) . ?
C14 C15 1.407(11) . ?
C14 C19 1.415(11) . ?
C15 C16 1.389(11) . ?
C15 C20 1.523(12) . ?
C16 C17 1.370(12) . ?
C17 C18 1.380(12) . ?
C18 C19 1.376(11) . ?
C19 C23 1.541(12) . ?
C20 C22 1.506(12) . ?
C20 C21 1.543(12) . ?
C23 C24 1.502(15) . ?
C23 C25 1.509(14) . ?
C27 C32 1.424(11) . ?
C27 C28 1.426(12) . ?
C28 C29 1.374(13) . ?
C28 C33 1.516(12) . ?
C29 C30 1.392(15) . ?
C30 C31 1.348(13) . ?
C31 C32 1.373(11) . ?
C32 C36 1.513(11) . ?
C33 C35 1.516(14) . ?
C33 C34 1.518(13) . ?
C36 C37 1.510(12) . ?
C36 C38 1.525(11) . ?
C39 C44 1.413(12) . ?
C39 C40 1.414(11) . ?
C40 C41 1.391(12) . ?
C40 C45 1.508(12) . ?
C41 C42 1.377(13) . ?
C42 C43 1.357(13) . ?
C43 C44 1.375(11) . ?
C44 C48 1.531(11) . ?
C45 C46 1.469(16) . ?
C45 C47 1.487(17) . ?
C48 C49 1.536(12) . ?
C48 C50 1.538(13) . ?
