#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:30:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179974 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/68/7026828.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_7026828
loop_
_publ_author_name
'Chen, Yang'
'Wang, Zi-Ou'
'Yang, Zhou'
'Ren, Zhi-Gang'
'Li, Hong-Xi'
'Lang, Jian-Ping'
_publ_section_title
;
 Unique assembly of low-dimensional viologen iodoplumbates and their
 improved semiconducting properties.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9476
_journal_page_last               9479
_journal_paper_doi               10.1039/c0dt00757a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         '6(C31 H28 N2), I38 Pb13'
_chemical_formula_sum            'C186 H168 I38 N12 Pb13'
_chemical_formula_weight         10087.12
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   24.7119(15)
_cell_length_b                   24.7119(15)
_cell_length_c                   37.0183(18)
_cell_measurement_reflns_used    26219
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.4971
_cell_measurement_theta_min      3.2967
_cell_volume                     19577.6(19)
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction
'CrystalStructure, Ver. 3.60 (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku MercuryCCD area detector'
_diffrn_measurement_method       ω
_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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            51197
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.886
_exptl_absorpt_correction_T_max  0.098
_exptl_absorpt_correction_T_min  0.075
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             13344
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.103
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.427
_refine_ls_extinction_coef       0.000040(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         7647
_refine_ls_number_restraints     37
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0728
_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)+(0.0953P)²+283.8024P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1789
_refine_ls_wR_factor_ref         0.1869
_reflns_number_gt                6734
_reflns_number_total             7647
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00757a.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7026828
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
N1 N 0.4825(4) 0.5039(4) 0.68330(18) 0.067(3) Uani 1 1 d G . .
C1 C 0.4711(5) 0.4431(4) 0.67948(19) 0.083(5) Uani 1 1 d G B .
C2 C 0.4490(5) 0.4118(3) 0.6469(2) 0.076(4) Uani 1 1 d G . .
H2 H 0.4413 0.3707 0.6443 0.091 Uiso 1 1 calc R . .
C3 C 0.4382(4) 0.4413(4) 0.61807(18) 0.057(3) Uani 1 1 d G . .
C4 C 0.4496(4) 0.5020(4) 0.62189(19) 0.066(3) Uani 1 1 d G . .
H4 H 0.4423 0.5220 0.6024 0.079 Uiso 1 1 calc R . .
C5 C 0.4717(4) 0.5333(3) 0.6545(2) 0.077(4) Uani 1 1 d G . .
H5 H 0.4794 0.5744 0.6571 0.092 Uiso 1 1 calc R . .
N2 N 0.3783(4) 0.3559(4) 0.51500(16) 0.053(2) Uani 1 1 d G . .
C6 C 0.4116(4) 0.3383(4) 0.5377(2) 0.072(4) Uani 1 1 d G . .
H6 H 0.4220 0.3085 0.5299 0.086 Uiso 1 1 calc R . .
C7 C 0.4295(4) 0.3649(4) 0.5718(2) 0.070(4) Uani 1 1 d G . .
H7 H 0.4521 0.3529 0.5871 0.084 Uiso 1 1 calc R . .
C8 C 0.4141(4) 0.4090(4) 0.58327(17) 0.058(3) Uani 1 1 d G . .
C9 C 0.3807(4) 0.4266(4) 0.5606(2) 0.064(3) Uani 1 1 d G . .
H9 H 0.3703 0.4565 0.5683 0.077 Uiso 1 1 calc R . .
C10 C 0.3628(4) 0.4001(4) 0.5265(2) 0.073(4) Uani 1 1 d G . .
H10 H 0.3403 0.4120 0.5111 0.088 Uiso 1 1 calc R . .
C11 C 0.5063(8) 0.5400(8) 0.7173(4) 0.086(5) Uani 1 1 d . . .
H11A H 0.4821 0.5137 0.7377 0.103 Uiso 1 1 calc R . .
H11B H 0.5000 0.5762 0.7165 0.103 Uiso 1 1 calc R . .
C12 C 0.5742(4) 0.5625(5) 0.7236(3) 0.077(4) Uani 1 1 d G . .
C13 C 0.5905(6) 0.5506(5) 0.7574(3) 0.086(5) Uani 1 1 d G . .
H13 H 0.5594 0.5289 0.7749 0.104 Uiso 1 1 calc R . .
C14 C 0.6527(7) 0.5708(6) 0.7654(3) 0.102(6) Uani 1 1 d G . .
H14 H 0.6636 0.5627 0.7883 0.122 Uiso 1 1 calc R . .
C15 C 0.6986(5) 0.6028(7) 0.7396(4) 0.117(7) Uani 1 1 d G . .
H15 H 0.7407 0.6165 0.7450 0.141 Uiso 1 1 calc R . .
C16 C 0.6824(5) 0.6147(7) 0.7058(4) 0.122(7) Uani 1 1 d G . .
H16 H 0.7135 0.6364 0.6883 0.146 Uiso 1 1 calc R . .
C17 C 0.6202(5) 0.5945(6) 0.6977(2) 0.101(6) Uani 1 1 d G . .
H17 H 0.6093 0.6025 0.6749 0.121 Uiso 1 1 calc R . .
C18 C 0.4800(11) 0.4118(9) 0.7115(5) 0.111(7) Uani 1 1 d D . .
H18A H 0.4705 0.4273 0.7336 0.133 Uiso 0.50 1 calc PR A 1
H18B H 0.5236 0.4218 0.7127 0.133 Uiso 0.50 1 calc PR A 1
H18C H 0.4599 0.4186 0.7325 0.133 Uiso 0.50 1 d PR A 2
H18D H 0.5247 0.4311 0.7167 0.133 Uiso 0.50 1 d PR A 2
C19 C 0.4377(15) 0.3417(7) 0.7091(13) 0.094(7) Uani 0.50 1 d PGDU B 1
C20 C 0.4685(13) 0.3087(15) 0.7020(11) 0.158(13) Uani 0.50 1 d PGU B 1
H20 H 0.5121 0.3303 0.6988 0.189 Uiso 0.50 1 calc PR B 1
C21 C 0.435(2) 0.2439(15) 0.6997(9) 0.159(18) Uani 0.50 1 d PG B 1
H21 H 0.4557 0.2216 0.6949 0.191 Uiso 0.50 1 calc PR B 1
C22 C 0.370(2) 0.2121(7) 0.7044(12) 0.165(17) Uani 0.50 1 d PGU B 1
H22 H 0.3477 0.1683 0.7029 0.198 Uiso 0.50 1 calc PR B 1
C23 C 0.3397(13) 0.2451(13) 0.7115(14) 0.144(12) Uani 0.50 1 d PGU B 1
H23 H 0.2961 0.2236 0.7147 0.173 Uiso 0.50 1 calc PR B 1
C24 C 0.3733(15) 0.3099(13) 0.7138(13) 0.102(8) Uani 0.50 1 d PGU B 1
H24 H 0.3525 0.3322 0.7186 0.123 Uiso 0.50 1 calc PR B 1
C19' C 0.4533(16) 0.3425(7) 0.7063(13) 0.094(7) Uani 0.50 1 d PGD B 2
C20' C 0.4832(14) 0.3152(14) 0.6885(11) 0.158(13) Uani 0.50 1 d PG B 2
H20' H 0.5257 0.3395 0.6823 0.189 Uiso 0.50 1 calc PR B 2
C21' C 0.450(2) 0.2521(15) 0.6798(9) 0.159(18) Uani 0.50 1 d PG B 2
H21' H 0.4705 0.2336 0.6677 0.191 Uiso 0.50 1 calc PR B 2
C22' C 0.388(2) 0.2162(9) 0.6889(12) 0.165(17) Uani 0.50 1 d PG B 2
H22' H 0.3653 0.1734 0.6830 0.198 Uiso 0.50 1 calc PR B 2
C23' C 0.3576(14) 0.2434(14) 0.7067(14) 0.144(12) Uani 0.50 1 d PG B 2
H23' H 0.3152 0.2191 0.7129 0.173 Uiso 0.50 1 calc PR B 2
C24' C 0.3905(16) 0.3066(14) 0.7154(13) 0.102(8) Uani 0.50 1 d PG B 2
H24' H 0.3703 0.3250 0.7275 0.123 Uiso 0.50 1 calc PR B 2
C25 C 0.3634(6) 0.3316(7) 0.4791(4) 0.074(4) Uani 1 1 d . . .
H25A H 0.3903 0.3144 0.4725 0.089 Uiso 1 1 calc R . .
H25B H 0.3724 0.3658 0.4623 0.089 Uiso 1 1 calc R . .
C26 C 0.2959(4) 0.2813(4) 0.4750(3) 0.066(4) Uani 1 1 d G . .
C27 C 0.2804(5) 0.2190(5) 0.4773(3) 0.080(4) Uani 1 1 d G . .
H27 H 0.3119 0.2087 0.4808 0.096 Uiso 1 1 calc R . .
C28 C 0.2183(6) 0.1719(4) 0.4744(3) 0.102(6) Uani 1 1 d G . .
H28 H 0.2079 0.1298 0.4759 0.122 Uiso 1 1 calc R . .
C29 C 0.1718(4) 0.1871(6) 0.4692(3) 0.101(6) Uani 1 1 d G . .
H29 H 0.1298 0.1552 0.4673 0.122 Uiso 1 1 calc R . .
C30 C 0.1873(5) 0.2494(7) 0.4669(3) 0.104(6) Uani 1 1 d G . .
H30 H 0.1558 0.2596 0.4634 0.125 Uiso 1 1 calc R . .
C31 C 0.2493(5) 0.2964(4) 0.4698(3) 0.087(5) Uani 1 1 d G . .
H31 H 0.2598 0.3385 0.4683 0.105 Uiso 1 1 calc R . .
Pb1 Pb 0.6667 0.3333 0.3333 0.0464(3) Uani 1 6 d S . .
Pb2 Pb 0.54540(2) 0.32293(2) 0.436119(13) 0.05071(19) Uani 1 1 d . . .
Pb3 Pb 0.65028(2) 0.43827(2) 0.544443(15) 0.0596(2) Uani 1 1 d . . .
I1 I 0.56339(4) 0.22328(4) 0.38337(2) 0.0518(2) Uani 1 1 d . . .
I2 I 0.54731(4) 0.42483(4) 0.48596(2) 0.0601(3) Uani 1 1 d . . .
I3 I 0.44379(4) 0.32589(5) 0.39219(2) 0.0653(3) Uani 1 1 d . . .
I4 I 0.45116(4) 0.21258(4) 0.48594(3) 0.0612(3) Uani 1 1 d . . .
I5 I 0.62277(8) 0.52512(6) 0.58627(4) 0.1138(5) Uani 1 1 d . . .
I6 I 0.55558(5) 0.32149(5) 0.58957(3) 0.0718(3) Uani 1 1 d . . .
I7 I 0.6667 0.3333 0.48756(3) 0.0458(3) Uani 1 3 d S . .
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'
I I -0.4742 1.8119 '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 N1 C5 120.0 . .
C1 N1 C11 122.8(9) . .
C5 N1 C11 117.2(9) . .
N1 C1 C2 120.0 . .
N1 C1 C18 118.5(9) . .
C2 C1 C18 121.4(9) . .
C3 C2 C1 120.0 . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C2 C3 C4 120.0 . .
C2 C3 C8 121.17 . .
C4 C3 C8 118.85 . .
C5 C4 C3 120.0 . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 N1 120.0 . .
C4 C5 H5 120.0 . .
N1 C5 H5 120.0 . .
C6 N2 C10 120.0 . .
C6 N2 C25 119.8(9) . .
C10 N2 C25 120.1(9) . .
C7 C6 N2 120.0 . .
C7 C6 H6 120.0 . .
N2 C6 H6 120.0 . .
C6 C7 C8 120.0 . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C7 C8 C9 120.0 . .
C7 C8 C3 119.79 . .
C9 C8 C3 120.00 . .
C10 C9 C8 120.0 . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C9 C10 N2 120.0 . .
C9 C10 H10 120.0 . .
N2 C10 H10 120.0 . .
N1 C11 C12 112.8(11) . .
N1 C11 H11A 109.0 . .
C12 C11 H11A 109.0 . .
N1 C11 H11B 109.0 . .
C12 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
C13 C12 C17 120.0 . .
C13 C12 C11 116.7(10) . .
C17 C12 C11 123.3(10) . .
C14 C13 C12 120.0 . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.0 . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C16 C15 C14 120.0 . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C17 C16 C15 120.0 . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C12 120.0 . .
C16 C17 H17 120.0 . .
C12 C17 H17 120.0 . .
C1 C18 C19' 113(2) . .
C1 C18 C19 111(2) . .
C19' C18 C19 15(2) . .
C1 C18 H18A 109.5 . .
C19' C18 H18A 119.8 . .
C19 C18 H18A 109.5 . .
C1 C18 H18B 109.5 . .
C19' C18 H18B 95.3 . .
C19 C18 H18B 109.5 . .
H18A C18 H18B 108.1 . .
C1 C18 H18C 108.9 . .
C19' C18 H18C 108.9 . .
C19 C18 H18C 97.1 . .
H18A C18 H18C 14.4 . .
H18B C18 H18C 120.4 . .
C1 C18 H18D 108.9 . .
C19' C18 H18D 108.9 . .
C19 C18 H18D 122.3 . .
H18A C18 H18D 94.5 . .
H18B C18 H18D 15.4 . .
H18C C18 H18D 107.8 . .
C20 C19 C24 120.0 . .
C20 C19 C18 115(3) . .
C24 C19 C18 125(3) . .
C21 C20 C19 120.0 . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C23 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C19 120.0 . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C20' C19' C24' 120.0 . .
C20' C19' C18 125(3) . .
C24' C19' C18 114(3) . .
C19' C20' C21' 120.0 . .
C19' C20' H20' 120.0 . .
C21' C20' H20' 120.0 . .
C20' C21' C22' 120.0 . .
C20' C21' H21' 120.0 . .
C22' C21' H21' 120.0 . .
C23' C22' C21' 120.0 . .
C23' C22' H22' 120.0 . .
C21' C22' H22' 120.0 . .
C22' C23' C24' 120.0 . .
C22' C23' H23' 120.0 . .
C24' C23' H23' 120.0 . .
C23' C24' C19' 120.0 . .
C23' C24' H24' 120.0 . .
C19' C24' H24' 120.0 . .
N2 C25 C26 112.6(10) . .
N2 C25 H25A 109.1 . .
C26 C25 H25A 109.1 . .
N2 C25 H25B 109.1 . .
C26 C25 H25B 109.1 . .
H25A C25 H25B 107.8 . .
C27 C26 C31 120.0 . .
C27 C26 C25 119.0(10) . .
C31 C26 C25 121.0(10) . .
C26 C27 C28 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C29 C28 C27 120.0 . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C31 C30 C29 120.0 . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C30 C31 C26 120.0 . .
C30 C31 H31 120.0 . .
C26 C31 H31 120.0 . .
I1 Pb1 I1 89.71(2) 18_545 2_655
I1 Pb1 I1 90.29(2) 18_545 16_655
I1 Pb1 I1 89.71(2) 2_655 16_655
I1 Pb1 I1 90.29(2) 18_545 17
I1 Pb1 I1 180.0 2_655 17
I1 Pb1 I1 90.29(2) 16_655 17
I1 Pb1 I1 89.71(2) 18_545 .
I1 Pb1 I1 90.29(2) 2_655 .
I1 Pb1 I1 180.0 16_655 .
I1 Pb1 I1 89.71(2) 17 .
I1 Pb1 I1 180.0 18_545 3_665
I1 Pb1 I1 90.29(2) 2_655 3_665
I1 Pb1 I1 89.71(2) 16_655 3_665
I1 Pb1 I1 89.71(2) 17 3_665
I1 Pb1 I1 90.29(2) . 3_665
I3 Pb2 I2 88.63(3) . .
I3 Pb2 I4 94.15(3) . .
I2 Pb2 I4 93.39(3) . .
I3 Pb2 I1 96.98(3) . .
I2 Pb2 I1 172.62(3) . .
I4 Pb2 I1 90.99(2) . .
I3 Pb2 I1 91.66(2) . 3_665
I2 Pb2 I1 90.13(2) . 3_665
I4 Pb2 I1 173.27(3) . 3_665
I1 Pb2 I1 84.94(3) . 3_665
I5 Pb3 I6 92.97(4) . .
I5 Pb3 I2 88.32(4) . .
I6 Pb3 I2 94.32(3) . .
I5 Pb3 I6 102.17(4) . 3_665
I6 Pb3 I6 90.20(4) . 3_665
I2 Pb3 I6 168.37(3) . 3_665
Pb1 I1 Pb2 93.15(2) . .
Pb1 I1 Pb2 91.53(2) . 2_655
Pb2 I1 Pb2 94.75(2) . 2_655
Pb2 I2 Pb3 99.99(3) . .
Pb3 I6 Pb3 99.69(3) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.3900 .
N1 C5 1.3900 .
N1 C11 1.484(16) .
C1 C2 1.3900 .
C1 C18 1.490(18) .
C2 C3 1.3900 .
C2 H2 0.9400 .
C3 C4 1.3900 .
C3 C8 1.47512 .
C4 C5 1.3900 .
C4 H4 0.9400 .
C5 H5 0.9400 .
N2 C6 1.3900 .
N2 C10 1.3900 .
N2 C25 1.430(15) .
C6 C7 1.3900 .
C6 H6 0.9400 .
C7 C8 1.3900 .
C7 H7 0.9400 .
C8 C9 1.3900 .
C9 C10 1.3900 .
C9 H9 0.9400 .
C10 H10 0.9400 .
C11 C12 1.500(18) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 C13 1.3900 .
C12 C17 1.3900 .
C13 C14 1.3900 .
C13 H13 0.9400 .
C14 C15 1.3900 .
C14 H14 0.9400 .
C15 C16 1.3900 .
C15 H15 0.9400 .
C16 C17 1.3900 .
C16 H16 0.9400 .
C17 H17 0.9400 .
C18 C19' 1.51(2) .
C18 C19 1.51(2) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C18 H18D 0.9799 .
C19 C20 1.3900 .
C19 C24 1.3900 .
C20 C21 1.3900 .
C20 H20 0.9400 .
C21 C22 1.40202 .
C21 H21 0.9400 .
C22 C23 1.3900 .
C22 H22 0.9400 .
C23 C24 1.3900 .
C23 H23 0.9400 .
C24 H24 0.9400 .
C19' C20' 1.3900 .
C19' C24' 1.3900 .
C20' C21' 1.3900 .
C20' H20' 0.9400 .
C21' C22' 1.37431 .
C21' H21' 0.9400 .
C22' C23' 1.3900 .
C22' H22' 0.9400 .
C23' C24' 1.3900 .
C23' H23' 0.9400 .
C24' H24' 0.9400 .
C25 C26 1.510(16) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C26 C27 1.3900 .
C26 C31 1.3900 .
C27 C28 1.3900 .
C27 H27 0.9400 .
C28 C29 1.3900 .
C28 H28 0.9400 .
C29 C30 1.3900 .
C29 H29 0.9400 .
C30 C31 1.3900 .
C30 H30 0.9400 .
C31 H31 0.9400 .
Pb1 I1 3.2251(8) 18_545
Pb1 I1 3.2250(8) 2_655
Pb1 I1 3.2250(8) 16_655
Pb1 I1 3.2249(8) 17
Pb1 I1 3.2250(8) .
Pb1 I1 3.2250(8) 3_665
Pb2 I3 3.0230(10) .
Pb2 I2 3.1030(10) .
Pb2 I4 3.1482(10) .
Pb2 I1 3.3420(9) .
Pb2 I1 3.4295(9) 3_665
Pb3 I5 2.9874(12) .
Pb3 I6 3.1371(11) .
Pb3 I2 3.2292(10) .
Pb3 I6 3.2471(11) 3_665
I1 Pb2 3.4295(9) 2_655
I6 Pb3 3.2471(11) 2_655
