#------------------------------------------------------------------------------
#$Date: 2017-06-05 03:07:55 +0300 (Mon, 05 Jun 2017) $
#$Revision: 197394 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/57/4345747.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_4345747
loop_
_publ_author_name
'Liu, Guangfeng'
'Liu, Jie'
'Nie, Lina'
'Ban, Rui'
'Armatas, Gerasimos S.'
'Tao, Xutang'
'Zhang, Qichun'
_publ_section_title
;
 Surfactant 1-Hexadecyl-3-methylimidazolium Chloride Can Convert
 One-Dimensional Viologen Bromoplumbate into Zero-Dimensional.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5498
_journal_page_last               5501
_journal_paper_doi               10.1021/acs.inorgchem.7b00648
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C108 Br30 N12 Pb9'
_chemical_formula_weight         5727.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 102.1900(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.6471(4)
_cell_length_b                   24.3702(3)
_cell_length_c                   21.9002(3)
_cell_measurement_reflns_used    8630
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.22
_cell_measurement_theta_min      2.24
_cell_volume                     15987.9(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1098
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            143652
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.339
_exptl_absorpt_coefficient_mu    16.977
_exptl_absorpt_correction_T_max  0.4544
_exptl_absorpt_correction_T_min  0.1034
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.379
_exptl_crystal_description       prism
_exptl_crystal_F_000             10080
_exptl_crystal_size_max          0.245
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.062
_refine_diff_density_max         1.581
_refine_diff_density_min         -1.411
_refine_diff_density_rms         0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         14114
_refine_ls_number_restraints     545
_refine_ls_restrained_S_all      1.229
_refine_ls_R_factor_all          0.1200
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1526
_refine_ls_wR_factor_ref         0.1897
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7866
_reflns_number_total             14114
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic7b00648_si_005.cif
_cod_data_source_block           n-butanol-4_a
_cod_depositor_comments          'Adding full bibliography for 4345747.cif.'
_cod_database_code               4345747
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.103
_shelx_estimated_absorpt_t_max   0.419
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Pb01 Pb 0.5000 0.59067(3) 0.2500 0.0530(2) Uani 1 2 d S T P
C1 C 0.4735(6) 0.5835(6) 0.5382(6) 0.069(4) Uani 1 1 d . U .
N1 N 0.4614(4) 0.6137(5) 0.4847(5) 0.067(3) Uani 1 1 d D U .
Pb02 Pb 0.37161(2) 0.48771(2) 0.20082(2) 0.05857(19) Uani 1 1 d . . .
C2 C 0.5157(6) 0.5601(6) 0.5562(6) 0.068(4) Uani 1 1 d . U .
N2 N 0.6749(4) 0.4940(5) 0.5616(5) 0.061(3) Uani 1 1 d D U .
Pb03 Pb 0.63134(2) 0.68049(2) 0.27469(2) 0.05869(19) Uani 1 1 d . . .
N3 N 0.7073(6) 0.8972(7) 0.4041(9) 0.124(5) Uani 1 1 d D U .
C3 C 0.5473(5) 0.5658(6) 0.5161(6) 0.059(3) Uani 1 1 d . U .
Pb04 Pb 0.5000 0.77537(4) 0.2500 0.0683(3) Uani 1 2 d S T P
N4 N 0.9219(9) 0.7678(10) 0.4834(13) 0.193(5) Uani 1 1 d D U .
C4 C 0.5319(6) 0.5978(6) 0.4628(6) 0.073(4) Uani 1 1 d . U .
Pb05 Pb 0.5000 0.38556(4) 0.2500 0.0694(3) Uani 1 2 d S T P
C5 C 0.4900(6) 0.6210(6) 0.4472(6) 0.068(4) Uani 1 1 d . U .
Pb06 Pb 0.76139(2) 0.58069(3) 0.32762(3) 0.0754(2) Uani 1 1 d . . .
N6 N 0.1323(6) 0.4053(7) 0.1705(11) 0.244(9) Uani 1 1 d DG U .
C43 C 0.1400(7) 0.3599(8) 0.2097(9) 0.231(11) Uani 1 1 d G U .
C44 C 0.1801(8) 0.3315(6) 0.2172(7) 0.223(12) Uani 1 1 d G U .
C45 C 0.2126(6) 0.3485(8) 0.1856(9) 0.181(8) Uani 1 1 d G U .
C46 C 0.2049(7) 0.3939(8) 0.1463(8) 0.219(11) Uani 1 1 d G U .
C47 C 0.1648(8) 0.4223(6) 0.1388(8) 0.241(11) Uani 1 1 d G U .
C40 C 0.2570(6) 0.3196(7) 0.2001(8) 0.175(8) Uani 1 1 d G U .
C39 C 0.2648(7) 0.2787(7) 0.2454(8) 0.200(10) Uani 1 1 d G U .
C38 C 0.3058(8) 0.2521(6) 0.2592(7) 0.212(12) Uani 1 1 d G U .
N5 N 0.3390(6) 0.2662(7) 0.2276(9) 0.205(8) Uani 1 1 d G U .
C42 C 0.3312(6) 0.3070(7) 0.1823(7) 0.186(9) Uani 1 1 d G U .
C41 C 0.2902(7) 0.3337(6) 0.1685(6) 0.190(9) Uani 1 1 d G U .
C37 C 0.9518(10) 0.6023(9) 0.4162(12) 0.193(5) Uani 1 1 d D U .
C36 C 0.9402(8) 0.6622(9) 0.4317(10) 0.193(5) Uani 1 1 d D U .
C6 C 0.5907(5) 0.5412(6) 0.5323(6) 0.057(3) Uani 1 1 d . U .
Br07 Br 0.66645(5) 0.59490(6) 0.37059(6) 0.0630(4) Uani 1 1 d . . .
C7 C 0.6036(5) 0.5114(6) 0.5862(6) 0.064(4) Uani 1 1 d . U .
Br08 Br 0.54990(5) 0.67818(6) 0.33919(6) 0.0623(4) Uani 1 1 d . . .
C8 C 0.6449(6) 0.4887(7) 0.6010(7) 0.076(4) Uani 1 1 d . U .
Br09 Br 0.41806(5) 0.57969(6) 0.30304(6) 0.0630(4) Uani 1 1 d . . .
C9 C 0.6624(6) 0.5225(6) 0.5083(7) 0.068(4) Uani 1 1 d . U .
Br0A Br 0.46293(5) 0.50198(6) 0.16278(7) 0.0651(4) Uani 1 1 d . . .
Br0B Br 0.40899(6) 0.39538(7) 0.28659(7) 0.0733(5) Uani 1 1 d . . .
Br0C Br 0.28985(6) 0.47269(8) 0.24881(8) 0.0795(5) Uani 1 1 d . . .
Br0D Br 0.35851(6) 0.41637(7) 0.09618(7) 0.0776(5) Uani 1 1 d . . .
Br0E Br 0.70480(7) 0.65433(9) 0.21209(8) 0.0911(6) Uani 1 1 d . . .
Br0F Br 0.57093(7) 0.75130(8) 0.17158(8) 0.0880(6) Uani 1 1 d . . .
Br0G Br 0.77591(7) 0.51223(8) 0.43950(8) 0.0975(6) Uani 1 1 d . . .
Br0H Br 0.48218(7) 0.30551(8) 0.15420(8) 0.0990(7) Uani 1 1 d . . .
Br0I Br 0.67989(8) 0.76237(8) 0.35619(8) 0.1010(7) Uani 1 1 d . . .
Br0J Br 0.81280(10) 0.67155(10) 0.39617(10) 0.1354(10) Uani 1 1 d . . .
Br0K Br 0.55044(9) 0.85028(10) 0.33656(13) 0.1424(10) Uani 1 1 d . . .
Br0L Br 0.82970(8) 0.54815(14) 0.26058(12) 0.1544(11) Uani 1 1 d . . .
C11 C 0.7199(4) 0.4685(4) 0.5788(7) 0.076(4) Uani 1 1 d D U .
C12 C 0.7193(4) 0.4079(5) 0.5585(7) 0.087(5) Uani 1 1 d D U .
C13 C 0.7674(4) 0.3845(5) 0.5766(9) 0.113(6) Uani 1 1 d D U .
C14 C 0.7643(6) 0.3222(6) 0.5630(13) 0.155(9) Uani 1 1 d D U .
C15 C 0.4157(5) 0.6373(6) 0.4668(8) 0.102(3) Uani 1 1 d D U .
C16 C 0.4161(4) 0.6993(6) 0.4823(9) 0.102(3) Uani 1 1 d D U .
C17 C 0.3673(4) 0.7193(5) 0.4658(8) 0.102(3) Uani 1 1 d D U .
C18 C 0.3674(5) 0.7820(5) 0.4761(8) 0.102(3) Uani 1 1 d D U .
C19 C 0.7178(9) 0.8719(10) 0.4564(11) 0.121(6) Uani 1 1 d . U .
C20 C 0.7612(8) 0.8470(9) 0.4759(9) 0.110(5) Uani 1 1 d . U .
C21 C 0.7948(7) 0.8458(7) 0.4372(8) 0.095(4) Uani 1 1 d . U .
C22 C 0.7796(8) 0.8781(9) 0.3790(9) 0.112(5) Uani 1 1 d . U .
C23 C 0.7391(9) 0.9010(9) 0.3647(10) 0.118(6) Uani 1 1 d . U .
C24 C 0.6596(8) 0.9136(11) 0.3860(17) 0.222(7) Uani 1 1 d D U .
C28 C 0.9060(10) 0.8033(10) 0.4314(12) 0.137(6) Uani 1 1 d . U .
C27 C 0.5960(9) 1.0059(14) 0.4492(14) 0.222(7) Uani 1 1 d D U .
C26 C 0.6110(9) 0.9955(11) 0.3870(11) 0.222(7) Uani 1 1 d D U .
C25 C 0.6597(7) 0.9750(12) 0.4035(14) 0.222(7) Uani 1 1 d D U .
C29 C 0.8467(9) 0.7917(9) 0.5059(9) 0.115(6) Uani 1 1 d . U .
C30 C 0.8860(10) 0.7681(9) 0.5195(10) 0.133(6) Uani 1 1 d . U .
C32 C 0.8377(7) 0.8208(8) 0.4536(8) 0.093(4) Uani 1 1 d . U .
C33 C 0.8662(8) 0.8274(9) 0.4124(9) 0.112(5) Uani 1 1 d . U .
C34 C 0.9665(9) 0.7409(9) 0.5021(12) 0.193(5) Uani 1 1 d D U .
C35 C 0.9726(9) 0.6784(9) 0.4929(10) 0.193(5) Uani 1 1 d D U .
C49 C 0.3839(7) 0.1914(15) 0.2070(17) 0.381(15) Uani 1 1 d D U .
C48 C 0.3892(11) 0.2427(10) 0.2490(14) 0.247(11) Uani 1 1 d D U .
C50 C 0.4279(11) 0.1586(13) 0.2193(12) 0.381(15) Uani 1 1 d D U .
C51 C 0.4368(12) 0.1366(18) 0.1571(16) 0.381(15) Uani 1 1 d D U .
C52 C 0.0961(11) 0.4112(12) 0.1132(11) 0.378(13) Uani 1 1 d D U .
C53 C 0.0640(8) 0.4543(13) 0.1304(10) 0.378(13) Uani 1 1 d D U .
C54 C 0.0657(12) 0.4525(16) 0.2012(9) 0.378(13) Uani 1 1 d D U .
C55 C 0.0271(11) 0.4867(17) 0.2164(14) 0.378(13) Uani 1 1 d D U .
C10 C 0.6211(5) 0.5470(6) 0.4921(6) 0.062(3) Uani 1 1 d . U .
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'
Br Br -0.2901 2.4595 '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
Br0A Pb01 Br0A 85.72(7) 2_655 .
Br0A Pb01 Br09 85.59(4) 2_655 .
Br0A Pb01 Br09 86.89(4) . .
Br0A Pb01 Br09 86.89(4) 2_655 2_655
Br0A Pb01 Br09 85.59(4) . 2_655
Br09 Pb01 Br09 169.74(6) . 2_655
Br0A Pb01 Br08 91.43(4) 2_655 .
Br0A Pb01 Br08 173.01(4) . .
Br09 Pb01 Br08 99.27(4) . .
Br09 Pb01 Br08 87.88(4) 2_655 .
Br0A Pb01 Br08 173.01(4) 2_655 2_655
Br0A Pb01 Br08 91.43(4) . 2_655
Br09 Pb01 Br08 87.88(4) . 2_655
Br09 Pb01 Br08 99.27(4) 2_655 2_655
Br08 Pb01 Br08 92.09(6) . 2_655
N1 C1 C2 122.0(13) . .
C5 N1 C1 120.5(13) . .
C5 N1 C15 119.3(13) . .
C1 N1 C15 120.2(13) . .
Br0D Pb02 Br0C 103.11(5) . .
Br0D Pb02 Br0B 90.93(5) . .
Br0C Pb02 Br0B 85.66(5) . .
Br0D Pb02 Br0A 80.42(5) . .
Br0C Pb02 Br0A 174.66(5) . .
Br0B Pb02 Br0A 90.31(5) . .
Br0D Pb02 Br07 97.66(5) . 2_655
Br0C Pb02 Br07 91.52(5) . 2_655
Br0B Pb02 Br07 171.36(4) . 2_655
Br0A Pb02 Br07 91.97(4) . 2_655
C1 C2 C3 119.3(13) . .
C9 N2 C8 118.8(13) . .
C9 N2 C11 121.0(13) . .
C8 N2 C11 120.2(12) . .
Br0I Pb03 Br0E 95.34(6) . .
Br0I Pb03 Br07 89.19(5) . .
Br0E Pb03 Br07 88.79(5) . .
Br0I Pb03 Br08 95.18(5) . .
Br0E Pb03 Br08 166.37(5) . .
Br07 Pb03 Br08 82.71(4) . .
Br0I Pb03 Br0F 102.46(6) . .
Br0E Pb03 Br0F 100.25(5) . .
Br07 Pb03 Br0F 164.40(5) . .
Br08 Pb03 Br0F 85.90(4) . .
Br0I Pb03 Br09 173.30(5) . 2_655
Br0E Pb03 Br09 84.71(5) . 2_655
Br07 Pb03 Br09 84.11(4) . 2_655
Br08 Pb03 Br09 83.83(4) . 2_655
Br0F Pb03 Br09 84.10(5) . 2_655
C19 N3 C23 120(2) . .
C19 N3 C24 115(3) . .
C23 N3 C24 125(2) . .
C4 C3 C6 124.8(13) . .
C4 C3 C2 114.3(15) . .
C6 C3 C2 120.9(13) . .
Br0K Pb04 Br0K 100.08(11) . 2_655
Br0K Pb04 Br0F 95.64(7) . 2_655
Br0K Pb04 Br0F 98.33(7) 2_655 2_655
Br0K Pb04 Br0F 98.33(7) . .
Br0K Pb04 Br0F 95.64(7) 2_655 .
Br0F Pb04 Br0F 158.17(8) 2_655 .
C28 N4 C30 105(2) . .
C28 N4 C34 128(3) . .
C30 N4 C34 127(3) . .
C5 C4 C3 124.5(14) . .
Br0H Pb05 Br0H 92.93(8) 2_655 .
Br0H Pb05 Br0B 84.50(5) 2_655 .
Br0H Pb05 Br0B 101.73(6) . .
Br0H Pb05 Br0B 101.73(6) 2_655 2_655
Br0H Pb05 Br0B 84.50(5) . 2_655
Br0B Pb05 Br0B 171.05(7) . 2_655
N1 C5 C4 119.4(14) . .
Br0L Pb06 Br0G 105.62(7) . .
Br0L Pb06 Br0J 95.62(9) . .
Br0G Pb06 Br0J 91.81(6) . .
C43 N6 C47 120.0 . .
C43 N6 C52 126.4(19) . .
C47 N6 C52 92(2) . .
N6 C43 C44 120.0 . .
C45 C44 C43 120.0 . .
C46 C45 C44 120.0 . .
C46 C45 C40 122.1(18) . .
C44 C45 C40 117.7(18) . .
C45 C46 C47 120.0 . .
C46 C47 N6 120.0 . .
C39 C40 C41 120.0 . .
C39 C40 C45 119.8(17) . .
C41 C40 C45 120.2(17) . .
C40 C39 C38 120.0 . .
N5 C38 C39 120.0 . .
C38 N5 C42 120.0 . .
C38 N5 C48 121.4(18) . .
C42 N5 C48 118.0(18) . .
C41 C42 N5 120.0 . .
C42 C41 C40 120.0 . .
C35 C36 C37 107.2(9) . .
C7 C6 C10 118.6(15) . .
C7 C6 C3 121.3(13) . .
C10 C6 C3 120.1(13) . .
Pb03 Br07 Pb02 100.93(4) . 2_655
C8 C7 C6 120.4(14) . .
Pb01 Br08 Pb03 93.62(4) . .
C7 C8 N2 121.3(14) . .
Pb01 Br09 Pb03 93.83(4) . 2_655
N2 C9 C10 121.8(14) . .
Pb01 Br0A Pb02 98.87(4) . .
Pb02 Br0B Pb05 98.22(5) . .
Pb04 Br0F Pb03 94.71(4) . .
N2 C11 C12 111.9(9) . .
C11 C12 C13 109.0(5) . .
C14 C13 C12 107.3(9) . .
N1 C15 C16 110.9(11) . .
C17 C16 C15 107.2(8) . .
C18 C17 C16 107.8(9) . .
N3 C19 C20 121(2) . .
C19 C20 C21 124(2) . .
C32 C21 C20 126(2) . .
C32 C21 C22 123.2(19) . .
C20 C21 C22 111(2) . .
C23 C22 C21 122(2) . .
C22 C23 N3 123(2) . .
N3 C24 C25 104(2) . .
C33 C28 N4 130(3) . .
C25 C26 C27 107.5(9) . .
C26 C25 C24 107.7(9) . .
C30 C29 C32 116(2) . .
C29 C30 N4 129(3) . .
C29 C32 C33 125(2) . .
C29 C32 C21 117(2) . .
C33 C32 C21 117(2) . .
C28 C33 C32 114(2) . .
N4 C34 C35 121.7(19) . .
C36 C35 C34 106.9(9) . .
C48 C49 C50 109.8(2) . .
C49 C48 N5 98.1(19) . .
C49 C50 C51 109.7(2) . .
N6 C52 C53 105.1(9) . .
C52 C53 C54 109.8(2) . .
C53 C54 C55 109.8(2) . .
C9 C10 C6 119.1(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb01 Br0A 2.9486(15) 2_655
Pb01 Br0A 2.9487(15) .
Pb01 Br09 2.9931(15) .
Pb01 Br09 2.9932(15) 2_655
Pb01 Br08 3.0726(15) .
Pb01 Br08 3.0726(15) 2_655
C1 N1 1.367(17) .
C1 C2 1.39(2) .
N1 C5 1.333(17) .
N1 C15 1.488(11) .
Pb02 Br0D 2.8367(16) .
Pb02 Br0C 2.9376(18) .
Pb02 Br0B 2.9990(16) .
Pb02 Br0A 3.1035(16) .
Pb02 Br07 3.1401(16) 2_655
C2 C3 1.446(18) .
N2 C9 1.343(17) .
N2 C8 1.392(17) .
N2 C11 1.488(12) .
Pb03 Br0I 2.8738(18) .
Pb03 Br0E 2.9424(18) .
Pb03 Br07 2.9941(15) .
Pb03 Br08 3.1173(16) .
Pb03 Br0F 3.1208(18) .
Pb03 Br09 3.1838(16) 2_655
N3 C19 1.28(3) .
N3 C23 1.43(3) .
N3 C24 1.488(13) .
C3 C4 1.399(19) .
C3 C6 1.43(2) .
Pb04 Br0K 2.842(2) .
Pb04 Br0K 2.842(2) 2_655
Pb04 Br0F 3.0977(18) 2_655
Pb04 Br0F 3.0978(18) .
N4 C28 1.43(3) .
N4 C30 1.48(3) .
N4 C34 1.493(13) .
C4 C5 1.38(2) .
Pb05 Br0H 2.8323(18) 2_655
Pb05 Br0H 2.8323(18) .
Pb05 Br0B 3.0698(17) .
Pb05 Br0B 3.0699(17) 2_655
Pb06 Br0L 2.909(2) .
Pb06 Br0G 2.9198(19) .
Pb06 Br0J 2.940(2) .
N6 C43 1.3900 .
N6 C47 1.3900 .
N6 C52 1.497(18) .
C43 C44 1.3900 .
C44 C45 1.3900 .
C45 C46 1.3900 .
C45 C40 1.507(19) .
C46 C47 1.3900 .
C40 C39 1.3900 .
C40 C41 1.3900 .
C39 C38 1.3900 .
C38 N5 1.3900 .
N5 C42 1.3900 .
N5 C48 1.62(3) .
C42 C41 1.3900 .
C37 C36 1.556(9) .
C36 C35 1.540(9) .
C6 C7 1.370(18) .
C6 C10 1.419(18) .
Br07 Pb02 3.1401(16) 2_655
C7 C8 1.36(2) .
Br09 Pb03 3.1839(16) 2_655
C9 C10 1.38(2) .
C11 C12 1.541(2) .
C12 C13 1.551(9) .
C13 C14 1.546(9) .
C15 C16 1.549(9) .
C16 C17 1.543(9) .
C17 C18 1.542(9) .
C19 C20 1.44(3) .
C20 C21 1.47(3) .
C21 C32 1.42(3) .
C21 C22 1.49(3) .
C22 C23 1.34(3) .
C24 C25 1.544(9) .
C28 C33 1.34(3) .
C27 C26 1.547(9) .
C26 C25 1.543(9) .
C29 C30 1.31(3) .
C29 C32 1.33(3) .
C32 C33 1.39(2) .
C34 C35 1.552(9) .
C49 C48 1.540(2) .
C49 C50 1.540(2) .
C50 C51 1.540(2) .
C52 C53 1.540(2) .
C53 C54 1.540(2) .
C54 C55 1.540(2) .
