#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:57:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180365 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/34/7203474.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_7203474
loop_
_publ_author_name
'Billing, David G.'
'Lemmerer, Andreas'
_publ_section_title
;
 Synthesis and crystal structures of inorganic?organic hybrids
 incorporating an aromatic amine with a chiral functional group
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              686
_journal_paper_doi               10.1039/b606987h
_journal_volume                  8
_journal_year                    2006
_chemical_formula_moiety         '3(C8 H12 N), Br5 Pb, H2 O'
_chemical_formula_sum            'C24 H38 Br5 N3 O Pb'
_chemical_formula_weight         991.31
_chemical_name_common
tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)
_chemical_name_systematic
;
tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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      2.3
_audit_creation_date             2006-06-21T12:29:39-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 92.234(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.171(4)
_cell_length_b                   8.1095(12)
_cell_length_c                   27.656(4)
_cell_measurement_reflns_used    980
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.294
_cell_measurement_theta_min      3.272
_cell_volume                     6537.4(16)
_computing_cell_refinement       'Bruker SAINT+ (Bruker, 1999)'
_computing_data_collection       'Bruker SMART-NT (Bruker, 1998)'
_computing_data_reduction        'Bruker SAINT+ (Bruker, 1999)'
_computing_molecular_graphics
;
Ortep-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
WinGX publication routines (Farrugia, 1999) and PLATON (Spek, 2002)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            21393
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.4
_exptl_absorpt_coefficient_mu    11.294
_exptl_absorpt_correction_T_max  0.7065
_exptl_absorpt_correction_T_min  0.147
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Bruker XPREP (Bruker, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.014
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3744
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.914
_refine_diff_density_min         -1.816
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         7843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0387
_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)+(0.0337P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                5659
_reflns_number_total             7843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b606987h.txt
_cod_data_source_block           3apb13la
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6537.5(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7203474
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.38199(13) 0.8064(4) 0.00752(14) 0.0222(13) Uani 1 1 d G . .
C2 C 0.41456(14) 0.8205(4) 0.04533(12) 0.0259(14) Uani 1 1 d G . .
H2 H 0.418 0.7348 0.0686 0.031 Uiso 1 1 calc R . .
C3 C 0.44217(13) 0.9600(5) 0.04907(14) 0.0364(18) Uani 1 1 d G . .
H3 H 0.4644 0.9696 0.0749 0.044 Uiso 1 1 calc R . .
C4 C 0.43720(14) 1.0853(4) 0.01499(17) 0.0413(19) Uani 1 1 d G . .
H4 H 0.4561 1.1807 0.0176 0.05 Uiso 1 1 calc R . .
C5 C 0.40463(15) 1.0712(4) -0.02282(14) 0.0376(17) Uani 1 1 d G . .
H5 H 0.4012 1.1569 -0.0461 0.045 Uiso 1 1 calc R . .
C6 C 0.37702(13) 0.9318(5) -0.02656(12) 0.0257(14) Uani 1 1 d G . .
H6 H 0.3548 0.9221 -0.0524 0.031 Uiso 1 1 calc R . .
C7 C 0.3513(2) 0.6585(8) 0.0016(2) 0.0255(14) Uani 1 1 d . . .
H7 H 0.3397 0.6568 -0.0329 0.031 Uiso 1 1 calc R . .
C8 C 0.3723(3) 0.4921(8) 0.0122(3) 0.0371(17) Uani 1 1 d . . .
H8A H 0.3487 0.4065 0.0077 0.056 Uiso 1 1 calc R . .
H8B H 0.3845 0.4896 0.0457 0.056 Uiso 1 1 calc R . .
H8C H 0.3971 0.4717 -0.0098 0.056 Uiso 1 1 calc R . .
C9 C 0.08627(12) 0.9604(5) 0.13817(13) 0.0292(16) Uani 1 1 d G . .
C10 C 0.06208(15) 1.1061(4) 0.13006(15) 0.0384(18) Uani 1 1 d G . .
H10 H 0.0697 1.2017 0.1486 0.046 Uiso 1 1 calc R . .
C11 C 0.02677(15) 1.1121(5) 0.09487(16) 0.045(2) Uani 1 1 d G . .
H11 H 0.0102 1.2116 0.0893 0.053 Uiso 1 1 calc R . .
C12 C 0.01566(13) 0.9723(6) 0.06778(14) 0.0395(19) Uani 1 1 d G . .
H12 H -0.0085 0.9763 0.0437 0.047 Uiso 1 1 calc R . .
C13 C 0.03985(15) 0.8266(5) 0.07589(14) 0.0348(17) Uani 1 1 d G . .
H13 H 0.0323 0.731 0.0574 0.042 Uiso 1 1 calc R . .
C14 C 0.07516(13) 0.8206(4) 0.11108(15) 0.0308(16) Uani 1 1 d G . .
H14 H 0.0917 0.7211 0.1166 0.037 Uiso 1 1 calc R . .
C15 C 0.1234(2) 0.9433(9) 0.1785(2) 0.0331(16) Uani 1 1 d . . .
H15 H 0.1368 0.8304 0.1759 0.04 Uiso 1 1 calc R . .
C16 C 0.1055(3) 0.9586(11) 0.2276(2) 0.053(2) Uani 1 1 d . . .
H16A H 0.1309 0.9476 0.2517 0.08 Uiso 1 1 calc R . .
H16B H 0.0829 0.8716 0.2326 0.08 Uiso 1 1 calc R . .
H16C H 0.091 1.0667 0.2311 0.08 Uiso 1 1 calc R . .
C17 C 0.09464(10) 0.5505(5) 0.32369(15) 0.0231(14) Uani 1 1 d G . .
C18 C 0.07339(14) 0.3986(4) 0.31650(15) 0.0303(16) Uani 1 1 d G . .
H18 H 0.0914 0.3013 0.3146 0.036 Uiso 1 1 calc R . .
C19 C 0.02583(15) 0.3891(5) 0.31210(16) 0.042(2) Uani 1 1 d G . .
H19 H 0.0113 0.2852 0.3072 0.051 Uiso 1 1 calc R . .
C20 C -0.00047(10) 0.5314(7) 0.31488(17) 0.046(2) Uani 1 1 d G . .
H20 H -0.033 0.5249 0.3119 0.055 Uiso 1 1 calc R . .
C21 C 0.02078(14) 0.6833(5) 0.32207(16) 0.044(2) Uani 1 1 d G . .
H21 H 0.0028 0.7806 0.324 0.053 Uiso 1 1 calc R . .
C22 C 0.06834(15) 0.6929(4) 0.32648(15) 0.0312(16) Uani 1 1 d G . .
H22 H 0.0829 0.7967 0.3314 0.037 Uiso 1 1 calc R . .
C23 C 0.1459(2) 0.5729(8) 0.3303(2) 0.0243(14) Uani 1 1 d . . .
H23 H 0.1542 0.6802 0.3152 0.029 Uiso 1 1 calc R . .
C24 C 0.1625(2) 0.5770(9) 0.3819(2) 0.0320(16) Uani 1 1 d . . .
H24A H 0.1959 0.5906 0.3836 0.048 Uiso 1 1 calc R . .
H24B H 0.1543 0.4735 0.3977 0.048 Uiso 1 1 calc R . .
H24C H 0.1481 0.6696 0.3983 0.048 Uiso 1 1 calc R . .
N1 N 0.30988(16) 0.6830(6) 0.03293(17) 0.0234(11) Uani 1 1 d . . .
H1A H 0.2909 0.5944 0.0296 0.035 Uiso 1 1 calc R . .
H1B H 0.2945 0.7759 0.0233 0.035 Uiso 1 1 calc R . .
H1C H 0.3196 0.6934 0.0645 0.035 Uiso 1 1 calc R . .
N2 N 0.16101(18) 1.0642(7) 0.17021(18) 0.0289(13) Uani 1 1 d . . .
H2A H 0.1712 1.0511 0.1398 0.043 Uiso 1 1 calc R . .
H2B H 0.1846 1.0465 0.1921 0.043 Uiso 1 1 calc R . .
H2C H 0.1502 1.1686 0.1737 0.043 Uiso 1 1 calc R . .
N3 N 0.17133(17) 0.4367(7) 0.30483(18) 0.0266(12) Uani 1 1 d . . .
H3A H 0.2021 0.4538 0.3085 0.04 Uiso 1 1 calc R . .
H3B H 0.163 0.4371 0.2728 0.04 Uiso 1 1 calc R . .
H3C H 0.1641 0.3375 0.3179 0.04 Uiso 1 1 calc R . .
O1 O 0.23424(15) 0.5076(5) -0.01090(14) 0.0259(10) Uani 1 1 d . . .
H1D H 0.2279 0.433 0.0146 0.031 Uiso 1 1 d R . .
H1E H 0.2468 0.4458 -0.0363 0.031 Uiso 1 1 d R . .
Br1 Br 0.33891(2) 0.55174(8) 0.14702(2) 0.02462(14) Uani 1 1 d . . .
Br2 Br 0.13757(2) 0.46650(8) 0.18768(2) 0.02622(15) Uani 1 1 d . . .
Br3 Br 0.24903(2) 0.69847(8) 0.25874(2) 0.02468(15) Uani 1 1 d . . .
Br4 Br 0.22512(2) 0.79005(8) 0.11136(2) 0.02488(15) Uani 1 1 d . . .
Br5 Br 0.21499(2) 0.26971(8) 0.08206(2) 0.02525(15) Uani 1 1 d . . .
Pb1 Pb 0.237704(8) 0.49550(3) 0.165766(7) 0.01719(7) Uani 1 1 d . . .
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'
Br Br -0.2901 2.4595 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.015
1 0 0 0.015
0 0 -1 0.075
0 0 1 0.075
0 -1 0 0.16
-1 4 4 0.18
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
C2 C1 C6 120 . . ?
C2 C1 C7 122.3(3) . . ?
C6 C1 C7 117.7(3) . . ?
C3 C2 C1 120 . . ?
C3 C2 H2 120 . . ?
C1 C2 H2 120 . . ?
C2 C3 C4 120 . . ?
C2 C3 H3 120 . . ?
C4 C3 H3 120 . . ?
C5 C4 C3 120 . . ?
C5 C4 H4 120 . . ?
C3 C4 H4 120 . . ?
C4 C5 C6 120 . . ?
C4 C5 H5 120 . . ?
C6 C5 H5 120 . . ?
C5 C6 C1 120 . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
C1 C7 C8 117.4(5) . . ?
C1 C7 N1 108.3(5) . . ?
C8 C7 N1 109.2(5) . . ?
C1 C7 H7 107.1 . . ?
C8 C7 H7 107.1 . . ?
N1 C7 H7 107.1 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C14 120 . . ?
C10 C9 C15 122.3(4) . . ?
C14 C9 C15 117.6(4) . . ?
C11 C10 C9 120 . . ?
C11 C10 H10 120 . . ?
C9 C10 H10 120 . . ?
C10 C11 C12 120 . . ?
C10 C11 H11 120 . . ?
C12 C11 H11 120 . . ?
C13 C12 C11 120 . . ?
C13 C12 H12 120 . . ?
C11 C12 H12 120 . . ?
C14 C13 C12 120 . . ?
C14 C13 H13 120 . . ?
C12 C13 H13 120 . . ?
C13 C14 C9 120 . . ?
C13 C14 H14 120 . . ?
C9 C14 H14 120 . . ?
C16 C15 N2 111.9(6) . . ?
C16 C15 C9 113.5(6) . . ?
N2 C15 C9 109.3(5) . . ?
C16 C15 H15 107.3 . . ?
N2 C15 H15 107.3 . . ?
C9 C15 H15 107.3 . . ?
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 . . ?
C18 C17 C22 120 . . ?
C18 C17 C23 123.9(4) . . ?
C22 C17 C23 116.1(4) . . ?
C17 C18 C19 120 . . ?
C17 C18 H18 120 . . ?
C19 C18 H18 120 . . ?
C20 C19 C18 120 . . ?
C20 C19 H19 120 . . ?
C18 C19 H19 120 . . ?
C19 C20 C21 120 . . ?
C19 C20 H20 120 . . ?
C21 C20 H20 120 . . ?
C22 C21 C20 120 . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C17 120 . . ?
C21 C22 H22 120 . . ?
C17 C22 H22 120 . . ?
C24 C23 C17 113.7(5) . . ?
C24 C23 N3 108.4(5) . . ?
C17 C23 N3 110.8(5) . . ?
C24 C23 H23 107.9 . . ?
C17 C23 H23 107.9 . . ?
N3 C23 H23 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 . . ?
C7 N1 H1A 109.5 . . ?
C7 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
C7 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C15 N2 H2A 109.5 . . ?
C15 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
C15 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C23 N3 H3A 109.5 . . ?
C23 N3 H3B 109.5 . . ?
H3A N3 H3B 109.5 . . ?
C23 N3 H3C 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
H1D O1 H1E 107.8 . . ?
Pb1 Br3 Pb1 163.56(2) . 4 ?
Br4 Pb1 Br5 94.83(2) . . ?
Br4 Pb1 Br2 93.776(19) . . ?
Br5 Pb1 Br2 85.470(19) . . ?
Br4 Pb1 Br1 83.695(19) . . ?
Br5 Pb1 Br1 98.391(18) . . ?
Br2 Pb1 Br1 175.533(18) . . ?
Br4 Pb1 Br3 90.02(2) . . ?
Br5 Pb1 Br3 171.251(18) . . ?
Br2 Pb1 Br3 86.951(18) . . ?
Br1 Pb1 Br3 89.363(18) . . ?
Br4 Pb1 Br3 171.303(18) . 4_545 ?
Br5 Pb1 Br3 93.52(2) . 4_545 ?
Br2 Pb1 Br3 84.471(17) . 4_545 ?
Br1 Pb1 Br3 97.479(17) . 4_545 ?
Br3 Pb1 Br3 81.392(13) . 4_545 ?
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
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C1 C7 1.501(7) . ?
C2 C3 1.39 . ?
C2 H2 0.95 . ?
C3 C4 1.39 . ?
C3 H3 0.95 . ?
C4 C5 1.39 . ?
C4 H4 0.95 . ?
C5 C6 1.39 . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.506(9) . ?
C7 N1 1.528(7) . ?
C7 H7 1 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C10 1.39 . ?
C9 C14 1.39 . ?
C9 C15 1.531(7) . ?
C10 C11 1.39 . ?
C10 H10 0.95 . ?
C11 C12 1.39 . ?
C11 H11 0.95 . ?
C12 C13 1.39 . ?
C12 H12 0.95 . ?
C13 C14 1.39 . ?
C13 H13 0.95 . ?
C14 H14 0.95 . ?
C15 C16 1.478(9) . ?
C15 N2 1.497(8) . ?
C15 H15 1 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 C18 1.39 . ?
C17 C22 1.39 . ?
C17 C23 1.511(7) . ?
C18 C19 1.39 . ?
C18 H18 0.95 . ?
C19 C20 1.39 . ?
C19 H19 0.95 . ?
C20 C21 1.39 . ?
C20 H20 0.95 . ?
C21 C22 1.39 . ?
C21 H21 0.95 . ?
C22 H22 0.95 . ?
C23 C24 1.487(8) . ?
C23 N3 1.519(8) . ?
C23 H23 1 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
N1 H1A 0.91 . ?
N1 H1B 0.91 . ?
N1 H1C 0.91 . ?
N2 H2A 0.91 . ?
N2 H2B 0.91 . ?
N2 H2C 0.91 . ?
N3 H3A 0.91 . ?
N3 H3B 0.91 . ?
N3 H3C 0.91 . ?
O1 H1D 0.953 . ?
O1 H1E 0.9476 . ?
Br1 Pb1 3.0515(8) . ?
Br2 Pb1 3.0156(8) . ?
Br3 Pb1 3.0600(7) . ?
Br3 Pb1 3.2014(7) 4 ?
Br4 Pb1 2.8393(7) . ?
Br5 Pb1 3.0052(7) . ?
Pb1 Br3 3.2014(7) 4_545 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1A O1 0.91 2.08 2.856(7) 142 .
N1 H1B O1 0.91 1.97 2.874(6) 171.6 7_565
N1 H1C Br1 0.91 2.6 3.406(5) 148.2 .
N2 H2A Br4 0.91 2.77 3.366(5) 124.1 .
N2 H2A Br5 0.91 2.74 3.391(5) 129.8 1_565
N2 H2B Br3 0.91 2.63 3.396(5) 142.4 4
N2 H2C Br2 0.91 2.48 3.372(5) 168.1 1_565
N3 H3A Br3 0.91 2.8 3.390(5) 123.5 .
N3 H3B Br2 0.91 2.45 3.358(5) 174.2 .
N3 H3C Br1 0.91 2.51 3.411(5) 168.5 4_545
O1 H1D Br5 0.95 2.33 3.280(4) 174.6 .
O1 H1E Br5 0.95 2.45 3.369(4) 163 7
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0 . . . . ?
C7 C1 C2 C3 179.8(4) . . . . ?
C1 C2 C3 C4 0 . . . . ?
C2 C3 C4 C5 0 . . . . ?
C3 C4 C5 C6 0 . . . . ?
C4 C5 C6 C1 0 . . . . ?
C2 C1 C6 C5 0 . . . . ?
C7 C1 C6 C5 -179.8(4) . . . . ?
C2 C1 C7 C8 -39.4(6) . . . . ?
C6 C1 C7 C8 140.4(5) . . . . ?
C2 C1 C7 N1 84.8(5) . . . . ?
C6 C1 C7 N1 -95.4(4) . . . . ?
C14 C9 C10 C11 0 . . . . ?
C15 C9 C10 C11 -176.0(5) . . . . ?
C9 C10 C11 C12 0 . . . . ?
C10 C11 C12 C13 0 . . . . ?
C11 C12 C13 C14 0 . . . . ?
C12 C13 C14 C9 0 . . . . ?
C10 C9 C14 C13 0 . . . . ?
C15 C9 C14 C13 176.2(4) . . . . ?
C10 C9 C15 C16 64.8(7) . . . . ?
C14 C9 C15 C16 -111.3(6) . . . . ?
C10 C9 C15 N2 -60.9(6) . . . . ?
C14 C9 C15 N2 123.0(5) . . . . ?
C22 C17 C18 C19 0 . . . . ?
C23 C17 C18 C19 178.2(4) . . . . ?
C17 C18 C19 C20 0 . . . . ?
C18 C19 C20 C21 0 . . . . ?
C19 C20 C21 C22 0 . . . . ?
C20 C21 C22 C17 0 . . . . ?
C18 C17 C22 C21 0 . . . . ?
C23 C17 C22 C21 -178.3(4) . . . . ?
C18 C17 C23 C24 -94.4(5) . . . . ?
C22 C17 C23 C24 83.8(5) . . . . ?
C18 C17 C23 N3 27.9(6) . . . . ?
C22 C17 C23 N3 -153.9(4) . . . . ?
Pb1 Br3 Pb1 Br4 -10.99(8) 4 . . . ?
Pb1 Br3 Pb1 Br2 -104.77(8) 4 . . . ?
Pb1 Br3 Pb1 Br1 72.71(8) 4 . . . ?
Pb1 Br3 Pb1 Br3 170.37(9) 4 . . 4_545 ?
