#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:24:46 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180337 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/06/7200639.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_7200639
loop_
_publ_author_name
'Billing, David G.'
'Lemmerer, Andreas'
_publ_section_title
;
 Inorganic--organic hybrid materials incorporating primary cyclic
 ammonium cations: The lead bromide and chloride series
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1549
_journal_paper_doi               10.1039/b819455f
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'Cl8 Pb2, 4(C6 H14 N)'
_chemical_formula_sum            'C24 H56 Cl8 N4 Pb2'
_chemical_formula_weight         1098.71
_chemical_name_common            bis(cyclohexylammonium)tetrachloroplumbate(ii)
_chemical_name_systematic
;
bis(cyclohexylammonium)tetrachloroplumbate(II)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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             2005-09-05T06:17:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90.031(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4446(11)
_cell_length_b                   28.306(3)
_cell_length_c                   11.5206(10)
_cell_measurement_reflns_used    975
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.2275
_cell_measurement_theta_min      2.8785
_cell_volume                     3732.1(6)
_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, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0594
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            23552
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         0.72
_exptl_absorpt_coefficient_mu    9.605
_exptl_absorpt_correction_T_max  0.2797
_exptl_absorpt_correction_T_min  0.1598
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Bruker XPREP (Bruker, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.955
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.872
_refine_diff_density_min         -1.966
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6980
_refine_ls_number_restraints     303
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.032
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0223P)²+17.2800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                6348
_reflns_number_total             6980
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b819455f.txt
_cod_data_source_block           10
_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_sg_symbol_H-M      P2(1)/m
_cod_database_code               7200639
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
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 0.3327(7) 0.8798(3) 0.6904(6) 0.0204(15) Uani 1 1 d DU . .
H1 H 0.3712 0.8771 0.7681 0.025 Uiso 1 1 calc R . .
C2 C 0.4268(7) 0.8810(3) 0.5962(7) 0.0228(16) Uani 1 1 d DU . .
H2D H 0.478 0.853 0.6039 0.027 Uiso 1 1 calc R . .
H2E H 0.3895 0.88 0.5187 0.027 Uiso 1 1 calc R . .
C3 C 0.4992(6) 0.9256(3) 0.6073(7) 0.0253(16) Uani 1 1 d DU . .
H3D H 0.5556 0.9269 0.5422 0.03 Uiso 1 1 calc R . .
H3E H 0.5446 0.9241 0.6804 0.03 Uiso 1 1 calc R . .
C4 C 0.4269(7) 0.9709(3) 0.6071(7) 0.0248(16) Uani 1 1 d DU . .
H4D H 0.3893 0.975 0.5304 0.03 Uiso 1 1 calc R . .
H4E H 0.4785 0.9984 0.6211 0.03 Uiso 1 1 calc R . .
C5 C 0.3336(7) 0.9685(3) 0.7014(7) 0.0265(16) Uani 1 1 d DU . .
H5A H 0.2838 0.997 0.697 0.032 Uiso 1 1 calc R . .
H5B H 0.3718 0.9681 0.7786 0.032 Uiso 1 1 calc R . .
C6 C 0.2572(6) 0.9244(2) 0.6885(7) 0.0234(16) Uani 1 1 d DU . .
H6A H 0.1998 0.9232 0.7527 0.028 Uiso 1 1 calc R . .
H6B H 0.2135 0.926 0.6144 0.028 Uiso 1 1 calc R . .
C7 C 0.3154(6) 0.8786(3) 0.1829(6) 0.0181(15) Uani 1 1 d DU . .
H7 H 0.2339 0.8778 0.1515 0.022 Uiso 1 1 calc R . .
C8 C 0.3280(7) 0.9218(3) 0.2602(6) 0.0214(14) Uani 1 1 d DU . .
H8A H 0.4051 0.9211 0.2993 0.026 Uiso 1 1 calc R . .
H8B H 0.2667 0.9212 0.3209 0.026 Uiso 1 1 calc R . .
C9 C 0.3169(7) 0.9670(3) 0.1885(7) 0.0246(16) Uani 1 1 d DU . .
H9A H 0.2367 0.9693 0.1567 0.03 Uiso 1 1 calc R . .
H9B H 0.3304 0.9947 0.2391 0.03 Uiso 1 1 calc R . .
C10 C 0.4048(7) 0.9675(3) 0.0889(7) 0.0280(17) Uani 1 1 d DU . .
H10A H 0.3935 0.9965 0.042 0.034 Uiso 1 1 calc R . .
H10B H 0.4851 0.9681 0.1208 0.034 Uiso 1 1 calc R . .
C11 C 0.3895(8) 0.9245(3) 0.0128(6) 0.0273(16) Uani 1 1 d DU . .
H11A H 0.4491 0.9251 -0.0495 0.033 Uiso 1 1 calc R . .
H11B H 0.3116 0.9257 -0.0245 0.033 Uiso 1 1 calc R . .
C12 C 0.4009(7) 0.8786(3) 0.0809(6) 0.0246(16) Uani 1 1 d DU . .
H12A H 0.4818 0.8753 0.1102 0.03 Uiso 1 1 calc R . .
H12B H 0.384 0.8514 0.0294 0.03 Uiso 1 1 calc R . .
C13 C 0.8938(7) 0.8779(3) 0.6579(6) 0.0188(15) Uani 1 1 d DU . .
H13 H 0.9761 0.8746 0.63 0.023 Uiso 1 1 calc R . .
C14 C 0.8147(7) 0.8760(3) 0.5528(6) 0.0215(16) Uani 1 1 d DU . .
H14A H 0.7321 0.8757 0.5782 0.026 Uiso 1 1 calc R . .
H14B H 0.8299 0.8467 0.5087 0.026 Uiso 1 1 calc R . .
C15 C 0.8359(8) 0.9187(3) 0.4749(6) 0.0257(16) Uani 1 1 d DU . .
H15A H 0.7781 0.9187 0.411 0.031 Uiso 1 1 calc R . .
H15B H 0.9148 0.9163 0.4401 0.031 Uiso 1 1 calc R . .
C16 C 0.8263(7) 0.9653(3) 0.5423(7) 0.0256(17) Uani 1 1 d DU . .
H16A H 0.8456 0.9919 0.49 0.031 Uiso 1 1 calc R . .
H16B H 0.7448 0.9695 0.5691 0.031 Uiso 1 1 calc R . .
C17 C 0.9075(7) 0.9662(3) 0.6458(7) 0.0256(17) Uani 1 1 d DU . .
H17A H 0.8953 0.9957 0.6901 0.031 Uiso 1 1 calc R . .
H17B H 0.9896 0.9656 0.6187 0.031 Uiso 1 1 calc R . .
C18 C 0.8853(7) 0.9240(3) 0.7243(6) 0.0211(15) Uani 1 1 d DU . .
H18A H 0.9432 0.924 0.7882 0.025 Uiso 1 1 calc R . .
H18B H 0.8065 0.9268 0.7591 0.025 Uiso 1 1 calc R . .
C19 C 0.8217(7) 0.8753(3) 0.0887(7) 0.0203(15) Uani 1 1 d DU . .
H19 H 0.856 0.8714 0.0094 0.024 Uiso 1 1 calc R . .
C20 C 0.7515(6) 0.9210(3) 0.0902(7) 0.0215(15) Uani 1 1 d DU . .
H20A H 0.6903 0.9198 0.0295 0.026 Uiso 1 1 calc R . .
H20B H 0.7125 0.9246 0.1664 0.026 Uiso 1 1 calc R . .
C21 C 0.8308(8) 0.9629(3) 0.0687(7) 0.0283(17) Uani 1 1 d DU . .
H21A H 0.7847 0.9925 0.0736 0.034 Uiso 1 1 calc R . .
H21B H 0.8639 0.9608 -0.0104 0.034 Uiso 1 1 calc R . .
C22 C 0.9308(8) 0.9647(3) 0.1579(7) 0.0263(17) Uani 1 1 d DU . .
H22A H 0.9843 0.991 0.1383 0.032 Uiso 1 1 calc R . .
H22B H 0.8981 0.9708 0.236 0.032 Uiso 1 1 calc R . .
C23 C 0.9986(7) 0.9188(3) 0.1597(8) 0.0279(17) Uani 1 1 d DU . .
H23A H 1.0569 0.9201 0.2231 0.033 Uiso 1 1 calc R . .
H23B H 1.0417 0.9156 0.0856 0.033 Uiso 1 1 calc R . .
C24 C 0.9219(7) 0.8752(3) 0.1768(7) 0.0241(16) Uani 1 1 d DU . .
H24A H 0.8896 0.8751 0.2565 0.029 Uiso 1 1 calc R . .
H24B H 0.9695 0.8462 0.1667 0.029 Uiso 1 1 calc R . .
N1 N 0.2547(6) 0.8378(3) 0.6724(6) 0.0218(14) Uani 1 1 d U . .
H1A H 0.2984 0.811 0.6737 0.033 Uiso 1 1 calc R . .
H1B H 0.2181 0.8404 0.6026 0.033 Uiso 1 1 calc R . .
H1C H 0.2005 0.8367 0.73 0.033 Uiso 1 1 calc R . .
N2 N 0.3348(6) 0.8355(2) 0.2547(5) 0.0213(13) Uani 1 1 d U . .
H2A H 0.3277 0.8093 0.2093 0.032 Uiso 1 1 calc R . .
H2B H 0.2808 0.8344 0.3126 0.032 Uiso 1 1 calc R . .
H2C H 0.4078 0.8364 0.2861 0.032 Uiso 1 1 calc R . .
N3 N 0.8685(6) 0.8368(2) 0.7359(6) 0.0218(14) Uani 1 1 d U . .
H3A H 0.8746 0.8094 0.6948 0.033 Uiso 1 1 calc R . .
H3B H 0.7948 0.8395 0.7648 0.033 Uiso 1 1 calc R . .
H3C H 0.9207 0.8364 0.7955 0.033 Uiso 1 1 calc R . .
N4 N 0.7424(6) 0.8349(2) 0.1104(6) 0.0210(14) Uani 1 1 d U . .
H4A H 0.6832 0.8352 0.0575 0.032 Uiso 1 1 calc R . .
H4B H 0.7122 0.8372 0.1832 0.032 Uiso 1 1 calc R . .
H4C H 0.783 0.8074 0.1038 0.032 Uiso 1 1 calc R . .
Cl1 Cl -0.1438(2) 0.75 -0.0537(2) 0.0214(6) Uani 1 2 d S . .
Cl2 Cl 0.1578(3) 0.75 0.1678(2) 0.0254(6) Uani 1 2 d S . .
Cl3 Cl 0.3522(3) 0.75 -0.1723(3) 0.0281(7) Uani 1 2 d S . .
Cl4 Cl 0.6758(3) 0.75 -0.3567(2) 0.0292(7) Uani 1 2 d S . .
Cl5 Cl -0.1709(3) 0.75 0.3133(3) 0.0289(7) Uani 1 2 d S . .
Cl6 Cl -0.4625(3) 0.75 0.1440(2) 0.0249(6) Uani 1 2 d S . .
Cl7 Cl 0.0490(2) 0.75 -0.3338(2) 0.0200(6) Uani 1 2 d S . .
Cl8 Cl 0.3247(2) 0.75 0.4579(2) 0.0227(6) Uani 1 2 d S . .
Cl9 Cl 0.11691(18) 0.84974(7) 0.42953(17) 0.0253(4) Uani 1 1 d . . .
Cl10 Cl 0.09500(17) 0.84911(7) -0.09755(16) 0.0230(4) Uani 1 1 d . . .
Cl11 Cl 0.61660(18) 0.84977(7) -0.13969(17) 0.0217(4) Uani 1 1 d . . .
Cl12 Cl -0.40224(18) 0.84955(8) 0.34727(16) 0.0254(4) Uani 1 1 d . . .
Pb1 Pb 0.10429(3) 0.75 -0.07266(3) 0.01542(10) Uani 1 2 d S . .
Pb2 Pb -0.39596(4) 0.75 0.38357(3) 0.01834(10) Uani 1 2 d S . .
Pb3 Pb 0.08471(3) 0.75 0.41546(3) 0.01618(10) Uani 1 2 d S . .
Pb4 Pb 0.59143(4) 0.75 -0.13257(3) 0.01680(10) Uani 1 2 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 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'
Cl Cl 0.1484 0.1585 '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
0 -1 0 0.08
0 1 0 0.08
-4 -1 -5 0.11
3 1 3 0.11
1 0 -1 0.12
-3 -2 3 0.12
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
N1 C1 C6 108.4(6) . . ?
N1 C1 C2 109.8(6) . . ?
C6 C1 C2 111.7(6) . . ?
N1 C1 H1 109 . . ?
C6 C1 H1 109 . . ?
C2 C1 H1 109 . . ?
C3 C2 C1 110.1(6) . . ?
C3 C2 H2D 109.6 . . ?
C1 C2 H2D 109.6 . . ?
C3 C2 H2E 109.6 . . ?
C1 C2 H2E 109.6 . . ?
H2D C2 H2E 108.1 . . ?
C2 C3 C4 113.7(6) . . ?
C2 C3 H3D 108.8 . . ?
C4 C3 H3D 108.8 . . ?
C2 C3 H3E 108.8 . . ?
C4 C3 H3E 108.8 . . ?
H3D C3 H3E 107.7 . . ?
C3 C4 C5 110.0(6) . . ?
C3 C4 H4D 109.7 . . ?
C5 C4 H4D 109.7 . . ?
C3 C4 H4E 109.7 . . ?
C5 C4 H4E 109.7 . . ?
H4D C4 H4E 108.2 . . ?
C4 C5 C6 111.5(6) . . ?
C4 C5 H5A 109.3 . . ?
C6 C5 H5A 109.3 . . ?
C4 C5 H5B 109.3 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 108 . . ?
C1 C6 C5 110.4(6) . . ?
C1 C6 H6A 109.6 . . ?
C5 C6 H6A 109.6 . . ?
C1 C6 H6B 109.6 . . ?
C5 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
N2 C7 C8 108.5(6) . . ?
N2 C7 C12 109.3(6) . . ?
C8 C7 C12 113.0(6) . . ?
N2 C7 H7 108.6 . . ?
C8 C7 H7 108.6 . . ?
C12 C7 H7 108.6 . . ?
C7 C8 C9 110.3(6) . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8B 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C10 C9 C8 111.2(7) . . ?
C10 C9 H9A 109.4 . . ?
C8 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108 . . ?
C11 C10 C9 110.6(7) . . ?
C11 C10 H10A 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C10 C11 C12 112.2(6) . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 C7 109.9(6) . . ?
C11 C12 H12A 109.7 . . ?
C7 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
C7 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
N3 C13 C14 109.7(6) . . ?
N3 C13 C18 110.7(6) . . ?
C14 C13 C18 113.3(6) . . ?
N3 C13 H13 107.6 . . ?
C14 C13 H13 107.6 . . ?
C18 C13 H13 107.6 . . ?
C13 C14 C15 110.4(6) . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
C15 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 111.8(6) . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
C17 C16 C15 111.7(6) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 C18 110.7(6) . . ?
C16 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C13 C18 C17 111.4(6) . . ?
C13 C18 H18A 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C13 C18 H18B 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108 . . ?
N4 C19 C20 109.3(6) . . ?
N4 C19 C24 110.2(6) . . ?
C20 C19 C24 112.9(6) . . ?
N4 C19 H19 108.1 . . ?
C20 C19 H19 108.1 . . ?
C24 C19 H19 108.1 . . ?
C21 C20 C19 110.3(6) . . ?
C21 C20 H20A 109.6 . . ?
C19 C20 H20A 109.6 . . ?
C21 C20 H20B 109.6 . . ?
C19 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
C20 C21 C22 111.2(6) . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
C22 C21 H21B 109.4 . . ?
H21A C21 H21B 108 . . ?
C23 C22 C21 111.3(6) . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C21 C22 H22B 109.4 . . ?
H22A C22 H22B 108 . . ?
C22 C23 C24 113.6(7) . . ?
C22 C23 H23A 108.8 . . ?
C24 C23 H23A 108.8 . . ?
C22 C23 H23B 108.8 . . ?
C24 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 C19 110.0(6) . . ?
C23 C24 H24A 109.7 . . ?
C19 C24 H24A 109.7 . . ?
C23 C24 H24B 109.7 . . ?
C19 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C1 N1 H1A 109.5 . . ?
C1 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
C1 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
C7 N2 H2A 109.5 . . ?
C7 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
C7 N2 H2C 109.5 . . ?
H2A N2 H2C 109.5 . . ?
H2B N2 H2C 109.5 . . ?
C13 N3 H3A 109.5 . . ?
C13 N3 H3B 109.5 . . ?
H3A N3 H3B 109.5 . . ?
C13 N3 H3C 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
C19 N4 H4A 109.5 . . ?
C19 N4 H4B 109.5 . . ?
H4A N4 H4B 109.5 . . ?
C19 N4 H4C 109.5 . . ?
H4A N4 H4C 109.5 . . ?
H4B N4 H4C 109.5 . . ?
Pb1 Cl1 Pb4 158.90(10) . 1_455 ?
Pb1 Cl2 Pb3 151.19(12) . . ?
Pb4 Cl3 Pb1 148.50(12) . . ?
Pb4 Cl4 Pb2 144.16(13) . 1_654 ?
Pb2 Cl5 Pb3 140.64(11) . . ?
Pb2 Cl6 Pb4 153.63(11) . 1_455 ?
Pb3 Cl7 Pb1 160.06(10) 1_554 . ?
Pb3 Cl8 Pb2 154.91(10) . 1_655 ?
Cl10 Pb1 Cl10 167.56(8) . 4_575 ?
Cl10 Pb1 Cl2 96.16(4) . . ?
Cl10 Pb1 Cl2 96.16(4) 4_575 . ?
Cl10 Pb1 Cl1 88.30(4) . . ?
Cl10 Pb1 Cl1 88.30(4) 4_575 . ?
Cl2 Pb1 Cl1 98.04(9) . . ?
Cl10 Pb1 Cl3 89.82(4) . . ?
Cl10 Pb1 Cl3 89.82(4) 4_575 . ?
Cl2 Pb1 Cl3 99.57(8) . . ?
Cl1 Pb1 Cl3 162.39(8) . . ?
Cl10 Pb1 Cl7 83.85(4) . . ?
Cl10 Pb1 Cl7 83.85(4) 4_575 . ?
Cl2 Pb1 Cl7 179.41(9) . . ?
Cl1 Pb1 Cl7 82.55(7) . . ?
Cl3 Pb1 Cl7 79.84(8) . . ?
Cl5 Pb2 Cl12 88.85(4) . . ?
Cl5 Pb2 Cl12 88.85(4) . 4_575 ?
Cl12 Pb2 Cl12 162.87(8) . 4_575 ?
Cl5 Pb2 Cl6 87.94(9) . . ?
Cl12 Pb2 Cl6 81.48(4) . . ?
Cl12 Pb2 Cl6 81.48(4) 4_575 . ?
Cl5 Pb2 Cl4 92.13(9) . 1_456 ?
Cl12 Pb2 Cl4 98.52(4) . 1_456 ?
Cl12 Pb2 Cl4 98.52(4) 4_575 1_456 ?
Cl6 Pb2 Cl4 179.93(10) . 1_456 ?
Cl5 Pb2 Cl8 177.55(8) . 1_455 ?
Cl12 Pb2 Cl8 90.78(4) . 1_455 ?
Cl12 Pb2 Cl8 90.78(4) 4_575 1_455 ?
Cl6 Pb2 Cl8 89.61(8) . 1_455 ?
Cl4 Pb2 Cl8 90.33(8) 1_456 1_455 ?
Cl8 Pb3 Cl9 82.12(4) . 4_575 ?
Cl8 Pb3 Cl9 82.12(4) . . ?
Cl9 Pb3 Cl9 163.77(8) 4_575 . ?
Cl8 Pb3 Cl7 87.99(8) . 1_556 ?
Cl9 Pb3 Cl7 87.82(4) 4_575 1_556 ?
Cl9 Pb3 Cl7 87.82(4) . 1_556 ?
Cl8 Pb3 Cl2 83.72(8) . . ?
Cl9 Pb3 Cl2 91.04(4) 4_575 . ?
Cl9 Pb3 Cl2 91.04(4) . . ?
Cl7 Pb3 Cl2 171.72(8) 1_556 . ?
Cl8 Pb3 Cl5 168.18(8) . . ?
Cl9 Pb3 Cl5 98.11(4) 4_575 . ?
Cl9 Pb3 Cl5 98.11(4) . . ?
Cl7 Pb3 Cl5 103.83(8) 1_556 . ?
Cl2 Pb3 Cl5 84.45(8) . . ?
Cl4 Pb4 Cl3 101.04(9) . . ?
Cl4 Pb4 Cl11 86.41(4) . . ?
Cl3 Pb4 Cl11 95.47(4) . . ?
Cl4 Pb4 Cl11 86.41(4) . 4_575 ?
Cl3 Pb4 Cl11 95.47(4) . 4_575 ?
Cl11 Pb4 Cl11 167.89(9) . 4_575 ?
Cl4 Pb4 Cl1 86.17(9) . 1_655 ?
Cl3 Pb4 Cl1 172.79(8) . 1_655 ?
Cl11 Pb4 Cl1 84.90(4) . 1_655 ?
Cl11 Pb4 Cl1 84.90(4) 4_575 1_655 ?
Cl4 Pb4 Cl6 170.46(9) . 1_655 ?
Cl3 Pb4 Cl6 88.50(8) . 1_655 ?
Cl11 Pb4 Cl6 92.73(4) . 1_655 ?
Cl11 Pb4 Cl6 92.73(4) 4_575 1_655 ?
Cl1 Pb4 Cl6 84.29(7) 1_655 1_655 ?
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 N1 1.500(10) . ?
C1 C6 1.529(7) . ?
C1 C2 1.530(9) . ?
C1 H1 1 . ?
C2 C3 1.516(9) . ?
C2 H2D 0.99 . ?
C2 H2E 0.99 . ?
C3 C4 1.525(9) . ?
C3 H3D 0.99 . ?
C3 H3E 0.99 . ?
C4 C5 1.526(7) . ?
C4 H4D 0.99 . ?
C4 H4E 0.99 . ?
C5 C6 1.532(7) . ?
C5 H5A 0.99 . ?
C5 H5B 0.99 . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7 N2 1.492(10) . ?
C7 C8 1.519(9) . ?
C7 C12 1.529(9) . ?
C7 H7 1 . ?
C8 C9 1.529(9) . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C9 C10 1.526(10) . ?
C9 H9A 0.99 . ?
C9 H9B 0.99 . ?
C10 C11 1.512(10) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.523(9) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 N3 1.500(10) . ?
C13 C14 1.512(9) . ?
C13 C18 1.516(9) . ?
C13 H13 1 . ?
C14 C15 1.525(9) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C16 1.533(10) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 C17 1.513(9) . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 C18 1.519(9) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 N4 1.482(10) . ?
C19 C20 1.524(9) . ?
C19 C24 1.531(9) . ?
C19 H19 1 . ?
C20 C21 1.515(10) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C22 1.538(9) . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 C23 1.513(10) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C24 1.529(10) . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
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 . ?
N4 H4A 0.91 . ?
N4 H4B 0.91 . ?
N4 H4C 0.91 . ?
Cl1 Pb1 2.848(3) . ?
Cl1 Pb4 3.163(3) 1_455 ?
Cl2 Pb1 2.836(3) . ?
Cl2 Pb3 2.974(3) . ?
Cl3 Pb4 2.776(3) . ?
Cl3 Pb1 3.061(3) . ?
Cl4 Pb4 2.758(3) . ?
Cl4 Pb2 3.102(3) 1_654 ?
Cl5 Pb2 2.700(3) . ?
Cl5 Pb3 3.153(3) . ?
Cl6 Pb2 2.863(3) . ?
Cl6 Pb4 3.246(3) 1_455 ?
Cl7 Pb3 2.917(3) 1_554 ?
Cl7 Pb1 3.074(3) . ?
Cl8 Pb3 2.789(3) . ?
Cl8 Pb2 3.310(3) 1_655 ?
Cl9 Pb3 2.852(2) . ?
Cl10 Pb1 2.822(2) . ?
Cl11 Pb4 2.840(2) . ?
Cl12 Pb2 2.850(2) . ?
Pb1 Cl10 2.822(2) 4_575 ?
Pb2 Cl12 2.850(2) 4_575 ?
Pb2 Cl4 3.102(3) 1_456 ?
Pb2 Cl8 3.310(3) 1_455 ?
Pb3 Cl9 2.852(2) 4_575 ?
Pb3 Cl7 2.917(3) 1_556 ?
Pb4 Cl11 2.840(2) 4_575 ?
Pb4 Cl1 3.163(3) 1_655 ?
Pb4 Cl6 3.246(3) 1_655 ?
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 Cl3 0.91 2.55 3.259(7) 135.1 1_556
N1 H1B Cl9 0.91 2.32 3.229(7) 176.7 .
N1 H1C Cl10 0.91 2.35 3.236(7) 164.1 1_556
N2 H2A Cl2 0.91 2.61 3.311(7) 134 .
N2 H2B Cl9 0.91 2.35 3.231(7) 163 .
N2 H2C Cl12 0.91 2.32 3.217(7) 170.7 1_655
N3 H3A Cl7 0.91 2.63 3.309(7) 131.9 1_656
N3 H3B Cl11 0.91 2.34 3.241(7) 172.8 1_556
N3 H3C Cl10 0.91 2.37 3.243(7) 160.4 1_656
N4 H4A Cl11 0.91 2.43 3.247(7) 149.3 .
N4 H4B Cl12 0.91 2.33 3.219(7) 167 1_655
N4 H4C Cl1 0.91 2.57 3.323(7) 139.9 1_655
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
N1 C1 C2 C3 175.0(6) . . . . ?
C6 C1 C2 C3 54.7(8) . . . . ?
C1 C2 C3 C4 -54.4(9) . . . . ?
C2 C3 C4 C5 54.7(9) . . . . ?
C3 C4 C5 C6 -55.1(9) . . . . ?
N1 C1 C6 C5 -177.6(6) . . . . ?
C2 C1 C6 C5 -56.6(9) . . . . ?
C4 C5 C6 C1 56.9(9) . . . . ?
N2 C7 C8 C9 176.2(6) . . . . ?
C12 C7 C8 C9 54.7(8) . . . . ?
C7 C8 C9 C10 -55.4(9) . . . . ?
C8 C9 C10 C11 56.8(8) . . . . ?
C9 C10 C11 C12 -56.9(9) . . . . ?
C10 C11 C12 C7 54.8(9) . . . . ?
N2 C7 C12 C11 -175.0(6) . . . . ?
C8 C7 C12 C11 -54.0(8) . . . . ?
N3 C13 C14 C15 177.7(6) . . . . ?
C18 C13 C14 C15 53.5(10) . . . . ?
C13 C14 C15 C16 -53.2(9) . . . . ?
C14 C15 C16 C17 55.4(9) . . . . ?
C15 C16 C17 C18 -55.5(9) . . . . ?
N3 C13 C18 C17 -178.5(6) . . . . ?
C14 C13 C18 C17 -54.8(9) . . . . ?
C16 C17 C18 C13 54.8(9) . . . . ?
N4 C19 C20 C21 179.7(6) . . . . ?
C24 C19 C20 C21 56.8(9) . . . . ?
C19 C20 C21 C22 -56.5(9) . . . . ?
C20 C21 C22 C23 55.0(10) . . . . ?
C21 C22 C23 C24 -53.1(10) . . . . ?
C22 C23 C24 C19 51.8(9) . . . . ?
N4 C19 C24 C23 -176.0(7) . . . . ?
C20 C19 C24 C23 -53.5(9) . . . . ?
Pb3 Cl2 Pb1 Cl10 89.14(4) . . . . ?
Pb3 Cl2 Pb1 Cl10 -89.14(4) . . . 4_575 ?
Pb3 Cl2 Pb1 Cl1 0.000(2) . . . . ?
Pb3 Cl2 Pb1 Cl3 180.000(2) . . . . ?
Pb4 Cl1 Pb1 Cl10 84.02(4) 1_455 . . . ?
Pb4 Cl1 Pb1 Cl10 -84.02(4) 1_455 . . 4_575 ?
Pb4 Cl1 Pb1 Cl2 180 1_455 . . . ?
Pb4 Cl1 Pb1 Cl3 0 1_455 . . . ?
Pb4 Cl1 Pb1 Cl7 0 1_455 . . . ?
Pb4 Cl3 Pb1 Cl10 96.22(4) . . . . ?
Pb4 Cl3 Pb1 Cl10 -96.22(4) . . . 4_575 ?
Pb4 Cl3 Pb1 Cl2 0 . . . . ?
Pb4 Cl3 Pb1 Cl1 180 . . . . ?
Pb4 Cl3 Pb1 Cl7 180 . . . . ?
Pb3 Cl7 Pb1 Cl10 90.92(4) 1_554 . . . ?
Pb3 Cl7 Pb1 Cl10 -90.92(4) 1_554 . . 4_575 ?
Pb3 Cl7 Pb1 Cl1 180 1_554 . . . ?
Pb3 Cl7 Pb1 Cl3 0 1_554 . . . ?
Pb3 Cl5 Pb2 Cl12 98.49(4) . . . . ?
Pb3 Cl5 Pb2 Cl12 -98.49(4) . . . 4_575 ?
Pb3 Cl5 Pb2 Cl6 180 . . . . ?
Pb3 Cl5 Pb2 Cl4 0 . . . 1_456 ?
Pb4 Cl6 Pb2 Cl5 0.000(2) 1_455 . . . ?
Pb4 Cl6 Pb2 Cl12 89.15(4) 1_455 . . . ?
Pb4 Cl6 Pb2 Cl12 -89.15(4) 1_455 . . 4_575 ?
Pb4 Cl6 Pb2 Cl8 180.000(2) 1_455 . . 1_455 ?
Pb2 Cl8 Pb3 Cl9 91.93(4) 1_655 . . 4_575 ?
Pb2 Cl8 Pb3 Cl9 -91.93(4) 1_655 . . . ?
Pb2 Cl8 Pb3 Cl7 180 1_655 . . 1_556 ?
Pb2 Cl8 Pb3 Cl2 0 1_655 . . . ?
Pb2 Cl8 Pb3 Cl5 0 1_655 . . . ?
Pb1 Cl2 Pb3 Cl8 180.000(2) . . . . ?
Pb1 Cl2 Pb3 Cl9 98.05(4) . . . 4_575 ?
Pb1 Cl2 Pb3 Cl9 -98.05(4) . . . . ?
Pb1 Cl2 Pb3 Cl5 0.000(2) . . . . ?
Pb2 Cl5 Pb3 Cl8 180 . . . . ?
Pb2 Cl5 Pb3 Cl9 89.74(4) . . . 4_575 ?
Pb2 Cl5 Pb3 Cl9 -89.74(4) . . . . ?
Pb2 Cl5 Pb3 Cl7 0 . . . 1_556 ?
Pb2 Cl5 Pb3 Cl2 180 . . . . ?
Pb2 Cl4 Pb4 Cl3 0 1_654 . . . ?
Pb2 Cl4 Pb4 Cl11 -94.88(4) 1_654 . . . ?
Pb2 Cl4 Pb4 Cl11 94.88(4) 1_654 . . 4_575 ?
Pb2 Cl4 Pb4 Cl1 180 1_654 . . 1_655 ?
Pb1 Cl3 Pb4 Cl4 180 . . . . ?
Pb1 Cl3 Pb4 Cl11 -92.60(4) . . . . ?
Pb1 Cl3 Pb4 Cl11 92.60(4) . . . 4_575 ?
Pb1 Cl3 Pb4 Cl6 0 . . . 1_655 ?
