#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:14:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180383 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/52/7205259.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_7205259
loop_
_publ_author_name
'Chen, Yang'
'Yang, Zhou'
'Guo, Cheng-Xin'
'Ni, Chun-Yan'
'Li, Hong-Xi'
'Ren, Zhi-Gang'
'Lang, Jian-Ping'
_publ_section_title
;
 Using alcohols as alkylation reagents for 4-cyanopyridinium and
 N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional
 iodoplumbates
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              243
_journal_paper_doi               10.1039/c0ce00309c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'I9 Pb3, C16 H22 N2, C8 H11 N'
_chemical_formula_sum            'C24 H33 I9 N3 Pb3'
_chemical_formula_weight         2127.23
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 90.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.328(3)
_cell_length_b                   14.341(3)
_cell_length_c                   24.982(5)
_cell_measurement_reflns_used    13791
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.4894
_cell_measurement_theta_min      3.2619
_cell_volume                     4416.7(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0828
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20775
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    17.717
_exptl_absorpt_correction_T_max  0.2460
_exptl_absorpt_correction_T_min  0.2460
_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    3.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3684
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.256
_refine_diff_density_min         -2.152
_refine_diff_density_rms         0.294
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         10019
_refine_ls_number_restraints     100
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.1013
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0347P)²+20.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1369
_reflns_number_gt                7579
_reflns_number_total             10019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00309C.TXT
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7205259
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
Pb2 Pb 0.16425(5) 0.84044(4) 0.11146(2) 0.04167(16) Uani 1 1 d . . .
Pb1 Pb -0.16750(5) 0.99361(4) 0.05315(2) 0.03568(14) Uani 1 1 d . . .
Pb3 Pb -0.50378(5) 0.83357(4) 0.00129(2) 0.03729(15) Uani 1 1 d . . .
I4 I -0.33342(8) 0.84483(7) 0.10204(4) 0.0469(3) Uani 1 1 d . . .
I8 I -0.03127(9) 0.97381(7) 0.15848(4) 0.0462(3) Uani 1 1 d . . .
I7 I -0.30409(9) 1.17139(7) 0.09043(4) 0.0460(3) Uani 1 1 d . . .
I5 I 0.00206(8) 1.15202(6) 0.00654(4) 0.0398(2) Uani 1 1 d . . .
I6 I -0.33398(8) 0.99348(6) -0.05123(4) 0.0368(2) Uani 1 1 d . . .
I9 I 0.36425(9) 0.70027(7) 0.07516(4) 0.0480(3) Uani 1 1 d . . .
I2 I 0.05091(10) 0.66573(7) 0.14507(5) 0.0567(3) Uani 1 1 d . . .
I1 I -0.38701(10) 0.68611(8) -0.06197(5) 0.0569(3) Uani 1 1 d . . .
I3 I 0.27312(10) 0.88070(8) 0.21615(5) 0.0580(3) Uani 1 1 d . . .
N1 N 0.6067(10) 1.1095(9) 0.2389(6) 0.053(4) Uani 1 1 d . B .
N2 N 0.0637(10) 1.2314(8) 0.1988(5) 0.044(3) Uani 1 1 d . . .
N3 N -0.2696(11) 0.5119(10) 0.0423(5) 0.051(4) Uani 1 1 d . . .
C1 C 0.5609(13) 1.1727(10) 0.2705(7) 0.050(4) Uani 1 1 d . . .
H1A H 0.6023 1.1991 0.2983 0.060 Uiso 1 1 calc R . .
C2 C 0.4558(14) 1.2008(13) 0.2639(7) 0.064(5) Uani 1 1 d . . .
H2A H 0.4261 1.2455 0.2871 0.077 Uiso 1 1 calc R . .
C3 C 0.3933(13) 1.1639(11) 0.2235(6) 0.045(4) Uani 1 1 d . . .
C4 C 0.4435(13) 1.0948(11) 0.1910(6) 0.048(4) Uani 1 1 d . . .
H4A H 0.4037 1.0665 0.1632 0.058 Uiso 1 1 calc R . .
C5 C 0.5494(13) 1.0690(12) 0.1998(6) 0.050(4) Uani 1 1 d . . .
H5A H 0.5815 1.0230 0.1783 0.060 Uiso 1 1 calc R . .
C6 C 0.1117(13) 1.2525(11) 0.2453(7) 0.053(4) Uani 1 1 d . . .
H6A H 0.0724 1.2832 0.2723 0.063 Uiso 1 1 calc R . .
C7 C 0.2177(14) 1.2296(12) 0.2536(7) 0.059(5) Uani 1 1 d . . .
H7A H 0.2505 1.2432 0.2867 0.071 Uiso 1 1 calc R . .
C8 C 0.2775(12) 1.1869(10) 0.2142(6) 0.042(4) Uani 1 1 d . . .
C9 C 0.2271(12) 1.1679(10) 0.1654(6) 0.047(4) Uani 1 1 d . . .
H9A H 0.2651 1.1387 0.1375 0.057 Uiso 1 1 calc R . .
C10 C 0.1213(13) 1.1928(10) 0.1593(6) 0.045(4) Uani 1 1 d . . .
H10A H 0.0874 1.1827 0.1260 0.054 Uiso 1 1 calc R . .
C11 C -0.2283(14) 0.4294(12) 0.0298(7) 0.058(5) Uani 1 1 d . . .
H11A H -0.2704 0.3752 0.0338 0.069 Uiso 1 1 calc R . .
C12 C -0.1240(13) 0.4231(11) 0.0111(7) 0.055(5) Uani 1 1 d . . .
H12A H -0.0962 0.3648 0.0008 0.066 Uiso 1 1 calc R . .
C13 C -0.0571(11) 0.5040(10) 0.0071(7) 0.042(4) Uani 1 1 d . . .
C14 C -0.1062(12) 0.5875(10) 0.0228(7) 0.049(4) Uani 1 1 d . . .
H14A H -0.0655 0.6430 0.0226 0.059 Uiso 1 1 calc R . .
C15 C -0.2131(13) 0.5897(11) 0.0385(7) 0.057(5) Uani 1 1 d . . .
H15A H -0.2460 0.6471 0.0466 0.069 Uiso 1 1 calc R . .
C16 C 0.7225(14) 1.0809(13) 0.2469(8) 0.069(5) Uani 1 1 d DU . .
H16A H 0.7678 1.1341 0.2572 0.082 Uiso 1 1 calc R A 1
H16B H 0.7521 1.0522 0.2145 0.082 Uiso 1 1 calc R A 1
C17 C 0.713(4) 1.011(3) 0.2916(15) 0.067(9) Uani 0.45(3) 1 d PDU B 1
H17A H 0.7694 0.9712 0.2763 0.080 Uiso 0.45(3) 1 calc PR B 1
H17B H 0.7543 1.0512 0.3164 0.080 Uiso 0.45(3) 1 calc PR B 1
C18 C 0.697(4) 0.970(4) 0.318(2) 0.076(13) Uani 0.45(3) 1 d PU B 1
H18A H 0.7515 0.9734 0.3458 0.114 Uiso 0.45(3) 1 calc PR B 1
H18B H 0.6972 0.9073 0.3025 0.114 Uiso 0.45(3) 1 calc PR B 1
H18C H 0.6264 0.9834 0.3322 0.114 Uiso 0.45(3) 1 calc PR B 1
C17' C 0.735(2) 0.978(2) 0.2598(15) 0.069(8) Uani 0.55(3) 1 d PDU B 2
H17C H 0.7532 0.9458 0.2263 0.082 Uiso 0.55(3) 1 calc PR B 2
H17D H 0.7987 0.9717 0.2834 0.082 Uiso 0.55(3) 1 calc PR B 2
C18' C 0.644(3) 0.925(3) 0.2854(19) 0.096(13) Uani 0.55(3) 1 d PDU B 2
H18D H 0.6668 0.8609 0.2923 0.143 Uiso 0.55(3) 1 calc PR B 2
H18E H 0.5817 0.9242 0.2615 0.143 Uiso 0.55(3) 1 calc PR B 2
H18F H 0.6244 0.9542 0.3189 0.143 Uiso 0.55(3) 1 calc PR B 2
C19 C -0.0495(14) 1.2586(13) 0.1897(8) 0.072(5) Uani 1 1 d U B .
H19A H -0.0873 1.2607 0.2241 0.086 Uiso 1 1 calc R . .
H19B H -0.0850 1.2112 0.1674 0.086 Uiso 1 1 calc R . .
C20 C -0.060(2) 1.3504(18) 0.1632(12) 0.116(9) Uani 1 1 d U . .
H20A H -0.0474 1.3362 0.1253 0.139 Uiso 1 1 calc R B 1
H20B H -0.1371 1.3647 0.1659 0.139 Uiso 1 1 calc R B 1
C21 C -0.021(5) 1.417(4) 0.169(3) 0.117(18) Uani 0.45(3) 1 d PU B 1
H21A H -0.0490 1.4606 0.1422 0.176 Uiso 0.45(3) 1 calc PR B 1
H21B H 0.0566 1.4102 0.1641 0.176 Uiso 0.45(3) 1 calc PR B 1
H21C H -0.0361 1.4401 0.2042 0.176 Uiso 0.45(3) 1 calc PR B 1
C21' C 0.025(3) 1.392(3) 0.126(2) 0.091(13) Uani 0.55(3) 1 d PU B 2
H21D H -0.0011 1.4517 0.1131 0.137 Uiso 0.55(3) 1 calc PR B 2
H21E H 0.0370 1.3502 0.0966 0.137 Uiso 0.55(3) 1 calc PR B 2
H21F H 0.0918 1.4011 0.1461 0.137 Uiso 0.55(3) 1 calc PR B 2
C22 C -0.3843(15) 0.5165(14) 0.0640(9) 0.081(6) Uani 1 1 d U . .
H22A H -0.4313 0.4735 0.0442 0.097 Uiso 1 1 calc R . .
H22B H -0.4132 0.5798 0.0598 0.097 Uiso 1 1 calc R . .
C23 C -0.382(2) 0.490(2) 0.1238(11) 0.123(9) Uani 1 1 d U . .
H23A H -0.4561 0.4933 0.1380 0.148 Uiso 1 1 calc R . .
H23B H -0.3575 0.4250 0.1273 0.148 Uiso 1 1 calc R . .
C24 C -0.312(2) 0.5493(19) 0.1549(11) 0.142(10) Uani 1 1 d U . .
H24A H -0.3127 0.5292 0.1920 0.213 Uiso 1 1 calc R . .
H24B H -0.3381 0.6131 0.1526 0.213 Uiso 1 1 calc R . .
H24C H -0.2390 0.5458 0.1411 0.213 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 0.0000 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
_geom_angle_publ_flag
I2 Pb2 I3 97.16(4) . . ?
I2 Pb2 I8 92.46(4) . . ?
I3 Pb2 I8 84.41(4) . . ?
I2 Pb2 I9 85.28(4) . . ?
I3 Pb2 I9 91.42(4) . . ?
I8 Pb2 I9 174.98(3) . . ?
I8 Pb1 I7 96.25(3) . . ?
I8 Pb1 I4 87.72(3) . . ?
I7 Pb1 I4 94.72(4) . . ?
I8 Pb1 I5 89.54(3) . 3_575 ?
I7 Pb1 I5 165.73(3) . 3_575 ?
I4 Pb1 I5 98.54(4) . 3_575 ?
I8 Pb1 I5 91.18(3) . . ?
I7 Pb1 I5 83.63(3) . . ?
I4 Pb1 I5 177.91(3) . . ?
I5 Pb1 I5 83.23(3) 3_575 . ?
I8 Pb1 I6 172.28(3) . . ?
I7 Pb1 I6 84.51(3) . . ?
I4 Pb1 I6 84.56(3) . . ?
I5 Pb1 I6 91.50(3) 3_575 . ?
I5 Pb1 I6 96.54(3) . . ?
I1 Pb3 I9 97.58(4) . 1_455 ?
I1 Pb3 I4 97.56(4) . . ?
I9 Pb3 I4 84.84(3) 1_455 . ?
I1 Pb3 I7 87.91(4) . 3_475 ?
I9 Pb3 I7 91.32(3) 1_455 3_475 ?
I4 Pb3 I7 173.67(3) . 3_475 ?
I1 Pb3 I6 88.54(4) . . ?
I9 Pb3 I6 166.52(3) 1_455 . ?
I4 Pb3 I6 82.44(3) . . ?
I7 Pb3 I6 100.95(3) 3_475 . ?
I1 Pb3 I6 168.91(4) . 3_475 ?
I9 Pb3 I6 85.49(3) 1_455 3_475 ?
I4 Pb3 I6 93.32(3) . 3_475 ?
I7 Pb3 I6 81.35(3) 3_475 3_475 ?
I6 Pb3 I6 90.79(3) . 3_475 ?
Pb1 I4 Pb3 98.53(3) . . ?
Pb1 I8 Pb2 98.26(4) . . ?
Pb1 I7 Pb3 99.12(3) . 3_475 ?
Pb1 I5 Pb1 96.77(3) 3_575 . ?
Pb1 I6 Pb3 94.45(3) . . ?
Pb1 I6 Pb3 94.23(3) . 3_475 ?
Pb3 I6 Pb3 89.21(3) . 3_475 ?
Pb3 I9 Pb2 100.42(4) 1_655 . ?
C1 N1 C5 120.4(14) . . ?
C1 N1 C16 121.0(15) . . ?
C5 N1 C16 118.6(15) . . ?
C6 N2 C10 120.1(14) . . ?
C6 N2 C19 119.5(15) . . ?
C10 N2 C19 120.1(15) . . ?
C15 N3 C11 122.2(15) . . ?
C15 N3 C22 118.8(15) . . ?
C11 N3 C22 118.9(15) . . ?
N1 C1 C2 122.3(15) . . ?
N1 C1 H1A 118.8 . . ?
C2 C1 H1A 118.8 . . ?
C1 C2 C3 120.3(17) . . ?
C1 C2 H2A 119.9 . . ?
C3 C2 H2A 119.9 . . ?
C2 C3 C4 116.3(15) . . ?
C2 C3 C8 124.4(15) . . ?
C4 C3 C8 119.1(14) . . ?
C5 C4 C3 120.7(14) . . ?
C5 C4 H4A 119.6 . . ?
C3 C4 H4A 119.6 . . ?
N1 C5 C4 119.9(16) . . ?
N1 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
N2 C6 C7 119.9(15) . . ?
N2 C6 H6A 120.1 . . ?
C7 C6 H6A 120.1 . . ?
C6 C7 C8 121.0(16) . . ?
C6 C7 H7A 119.5 . . ?
C8 C7 H7A 119.5 . . ?
C7 C8 C9 118.3(15) . . ?
C7 C8 C3 120.4(14) . . ?
C9 C8 C3 121.3(14) . . ?
C10 C9 C8 118.1(14) . . ?
C10 C9 H9A 120.9 . . ?
C8 C9 H9A 120.9 . . ?
N2 C10 C9 122.4(15) . . ?
N2 C10 H10A 118.8 . . ?
C9 C10 H10A 118.8 . . ?
N3 C11 C12 120.0(16) . . ?
N3 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C11 C12 C13 120.8(15) . . ?
C11 C12 H12A 119.6 . . ?
C13 C12 H12A 119.6 . . ?
C14 C13 C12 115.2(14) . . ?
C14 C13 C13 123.7(16) . 3_565 ?
C12 C13 C13 120.7(17) . 3_565 ?
C15 C14 C13 121.0(14) . . ?
C15 C14 H14A 119.5 . . ?
C13 C14 H14A 119.5 . . ?
N3 C15 C14 120.5(15) . . ?
N3 C15 H15A 119.7 . . ?
C14 C15 H15A 119.7 . . ?
N1 C16 C17 102(2) . . ?
N1 C16 C17' 113.1(17) . . ?
N1 C16 H16A 111.4 . . ?
C17 C16 H16A 111.4 . . ?
C17' C16 H16A 129.9 . . ?
N1 C16 H16B 111.4 . . ?
C17 C16 H16B 111.4 . . ?
C17' C16 H16B 74.2 . . ?
H16A C16 H16B 109.3 . . ?
C18 C17 C16 172(7) . . ?
C18 C17 H17A 94.00 . . ?
C16 C17 H17A 92.5 . . ?
C18 C17 H17B 92.5 . . ?
C16 C17 H17B 92.6 . . ?
H17A C17 H17B 103.0 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 108.00 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 111.00 . . ?
H18B C18 H18C 109.5 . . ?
C18' C17' C16 120(2) . . ?
C18' C17' H17C 107.2 . . ?
C16 C17' H17C 107.2 . . ?
C18' C17' H17D 107.2 . . ?
C16 C17' H17D 107.2 . . ?
H17C C17' H17D 106.9 . . ?
C17' C18' H18D 109.5 . . ?
C17' C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C17' C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
N2 C19 C20 112.7(17) . . ?
N2 C19 H19A 109.1 . . ?
C20 C19 H19A 109.1 . . ?
N2 C19 H19B 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C21 C20 C21' 55(4) . . ?
C21 C20 C19 134(5) . . ?
C21' C20 C19 125(2) . . ?
C21 C20 H20A 103.6 . . ?
C21' C20 H20A 52.2 . . ?
C19 C20 H20A 103.6 . . ?
C21 C20 H20B 103.6 . . ?
C21' C20 H20B 129.2 . . ?
C19 C20 H20B 103.6 . . ?
H20A C20 H20B 105.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C21' H21D 109.5 . . ?
C20 C21' H21E 109.5 . . ?
H21D C21' H21E 109.5 . . ?
C20 C21' H21F 109.5 . . ?
H21D C21' H21F 109.5 . . ?
H21E C21' H21F 109.5 . . ?
N3 C22 C23 108.9(17) . . ?
N3 C22 H22A 109.9 . . ?
C23 C22 H22A 109.9 . . ?
N3 C22 H22B 109.9 . . ?
C23 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C24 C23 C22 112(2) . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
Pb2 I2 2.9907(13) . ?
Pb2 I3 2.9909(15) . ?
Pb2 I8 3.2971(13) . ?
Pb2 I9 3.3108(13) . ?
Pb1 I8 3.1285(14) . ?
Pb1 I7 3.1963(12) . ?
Pb1 I4 3.2014(13) . ?
Pb1 I5 3.2819(13) 3_575 ?
Pb1 I5 3.3024(12) . ?
Pb1 I6 3.3117(15) . ?
Pb3 I1 3.0102(13) . ?
Pb3 I9 3.1196(13) 1_455 ?
Pb3 I4 3.2752(15) . ?
Pb3 I7 3.2893(15) 3_475 ?
Pb3 I6 3.3742(12) . ?
Pb3 I6 3.4249(12) 3_475 ?
I7 Pb3 3.2894(15) 3_475 ?
I5 Pb1 3.2819(13) 3_575 ?
I6 Pb3 3.4249(12) 3_475 ?
I9 Pb3 3.1196(13) 1_655 ?
N1 C1 1.329(19) . ?
N1 C5 1.337(18) . ?
N1 C16 1.497(19) . ?
N2 C6 1.336(19) . ?
N2 C10 1.339(18) . ?
N2 C19 1.466(19) . ?
N3 C15 1.319(19) . ?
N3 C11 1.33(2) . ?
N3 C22 1.52(2) . ?
C1 C2 1.37(2) . ?
C1 H1A 0.9400 . ?
C2 C3 1.37(2) . ?
C2 H2A 0.9400 . ?
C3 C4 1.423(19) . ?
C3 C8 1.48(2) . ?
C4 C5 1.37(2) . ?
C4 H4A 0.9400 . ?
C5 H5A 0.9400 . ?
C6 C7 1.36(2) . ?
C6 H6A 0.9400 . ?
C7 C8 1.38(2) . ?
C7 H7A 0.9400 . ?
C8 C9 1.393(19) . ?
C9 C10 1.36(2) . ?
C9 H9A 0.9400 . ?
C10 H10A 0.9400 . ?
C11 C12 1.37(2) . ?
C11 H11A 0.9400 . ?
C12 C13 1.43(2) . ?
C12 H12A 0.9400 . ?
C13 C14 1.398(19) . ?
C13 C13 1.46(3) 3_565 ?
C14 C15 1.38(2) . ?
C14 H14A 0.9400 . ?
C15 H15A 0.9400 . ?
C16 C17 1.502(10) . ?
C16 C17' 1.52(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C17 C18 0.91(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C17' C18' 1.506(10) . ?
C17' H17C 0.9800 . ?
C17' H17D 0.9800 . ?
C18' H18D 0.9700 . ?
C18' H18E 0.9700 . ?
C18' H18F 0.9700 . ?
C19 C20 1.48(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C20 C21 1.07(6) . ?
C20 C21' 1.51(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C21' H21D 0.9700 . ?
C21' H21E 0.9700 . ?
C21' H21F 0.9700 . ?
C22 C23 1.54(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C23 C24 1.44(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
