#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:59:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180459 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/28/7212838.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_7212838
loop_
_publ_author_name
'Najar, Adel M.'
'Tidmarsh, Ian S.'
'Ward, Michael D.'
_publ_section_title
;
 Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based
 on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks
 and a discrete dimeric box
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3642
_journal_paper_doi               10.1039/c0ce00176g
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C44 H36 Cl2 N16 O8 Pb'
_chemical_formula_weight         1194.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.794(2)
_cell_angle_beta                 90.479(2)
_cell_angle_gamma                116.858(2)
_cell_formula_units_Z            2
_cell_length_a                   14.2078(5)
_cell_length_b                   15.0213(6)
_cell_length_c                   15.6798(6)
_cell_measurement_reflns_used    8614
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.833
_cell_measurement_theta_min      2.560
_cell_volume                     2537.23(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30572
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    3.497
_exptl_absorpt_correction_T_max  0.5718
_exptl_absorpt_correction_T_min  0.4634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.866
_refine_diff_density_min         -3.230
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     549
_refine_ls_number_reflns         8649
_refine_ls_number_restraints     743
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.1093
_refine_ls_R_factor_gt           0.0976
_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)+(0.0394P)²+68.2211P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2187
_refine_ls_wR_factor_ref         0.2245
_reflns_number_gt                7429
_reflns_number_total             8649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00176g.txt
_cod_data_source_block           imw1381p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2537.23(17)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7212838
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Pb1 Pb 0.45793(5) 0.14605(6) 0.32102(4) 0.0479(2) Uani 1 1 d . . .
N111 N 0.5845(6) 0.1838(7) 0.1969(5) 0.046(3) Uani 1 1 d GU . .
C112 C 0.5330(4) 0.1485(7) 0.1018(5) 0.040(3) Uani 1 1 d GDU . .
C113 C 0.5950(6) 0.1849(8) 0.0442(5) 0.045(3) Uani 1 1 d GU . .
H113 H 0.5598 0.1608 -0.0208 0.054 Uiso 1 1 calc R . .
C114 C 0.7086(6) 0.2566(8) 0.0815(6) 0.050(3) Uani 1 1 d GU . .
H114 H 0.7509 0.2815 0.0421 0.060 Uiso 1 1 calc R . .
C115 C 0.7601(4) 0.2919(8) 0.1766(6) 0.057(4) Uani 1 1 d GU . .
H115 H 0.8377 0.3409 0.2021 0.068 Uiso 1 1 calc R . .
C116 C 0.6981(6) 0.2555(8) 0.2342(5) 0.058(4) Uani 1 1 d GU . .
H116 H 0.7333 0.2796 0.2992 0.069 Uiso 1 1 calc R . .
N121 N 0.2362(4) -0.0417(7) -0.0102(5) 0.037(2) Uani 1 1 d GU . .
N122 N 0.2517(5) -0.0348(6) 0.0828(5) 0.036(2) Uani 1 1 d GU . .
N123 N 0.3656(5) 0.0397(7) 0.1334(4) 0.037(2) Uani 1 1 d GU . .
C124 C 0.4206(4) 0.0788(7) 0.0718(6) 0.035(2) Uani 1 1 d GDU . .
C125 C 0.3406(6) 0.0285(7) -0.0170(5) 0.035(3) Uani 1 1 d GU . .
H125 H 0.3544 0.0399 -0.0713 0.042 Uiso 1 1 calc R . .
C126 C 0.1294(9) -0.1099(12) -0.0734(10) 0.040(3) Uani 1 1 d U . .
H12A H 0.0919 -0.1869 -0.0787 0.048 Uiso 1 1 calc R . .
H12B H 0.1327 -0.1243 -0.1413 0.048 Uiso 1 1 calc R . .
C131 C 0.0643(10) -0.0509(12) -0.0350(10) 0.037(2) Uani 1 1 d U . .
C132 C 0.0802(11) 0.0417(12) -0.0425(11) 0.045(3) Uani 1 1 d U . .
H132 H 0.1350 0.0707 -0.0722 0.054 Uiso 1 1 calc R . .
C133 C -0.0182(10) -0.0949(12) 0.0077(10) 0.041(3) Uani 1 1 d U . .
H133 H -0.0315 -0.1599 0.0127 0.050 Uiso 1 1 calc R . .
N211 N 0.4508(6) -0.0567(5) 0.2441(6) 0.033(2) Uani 1 1 d GU . .
C212 C 0.3496(4) -0.1607(6) 0.1992(7) 0.040(3) Uani 1 1 d GDU . .
C213 C 0.3440(5) -0.2679(5) 0.1435(7) 0.052(3) Uani 1 1 d GU . .
H213 H 0.2749 -0.3390 0.1128 0.063 Uiso 1 1 calc R . .
C214 C 0.4397(7) -0.2710(5) 0.1327(8) 0.061(4) Uani 1 1 d GU . .
H214 H 0.4359 -0.3442 0.0946 0.074 Uiso 1 1 calc R . .
C215 C 0.5409(5) -0.1670(7) 0.1776(8) 0.058(4) Uani 1 1 d GU . .
H215 H 0.6063 -0.1691 0.1702 0.069 Uiso 1 1 calc R . .
C216 C 0.5465(4) -0.0599(6) 0.2333(7) 0.043(3) Uani 1 1 d GU . .
H216 H 0.6157 0.0112 0.2640 0.052 Uiso 1 1 calc R . .
N221 N 0.0873(4) -0.1755(7) 0.2112(6) 0.043(2) Uani 1 1 d GU . .
N222 N 0.1653(6) -0.0542(6) 0.2769(6) 0.047(3) Uani 1 1 d GU . .
N223 N 0.2719(5) -0.0383(6) 0.2787(6) 0.045(3) Uani 1 1 d GU . .
C224 C 0.2597(5) -0.1498(7) 0.2140(7) 0.037(3) Uani 1 1 d GDU . .
C225 C 0.1457(6) -0.2346(5) 0.1723(6) 0.038(3) Uani 1 1 d GU . .
H225 H 0.1140 -0.3166 0.1265 0.046 Uiso 1 1 calc R . .
C226 C -0.0250(11) -0.2173(14) 0.1983(11) 0.046(3) Uani 1 1 d U . .
H22A H -0.0661 -0.2876 0.1300 0.056 Uiso 1 1 calc R . .
H22B H -0.0398 -0.1565 0.2045 0.056 Uiso 1 1 calc R . .
C231 C -0.0644(11) -0.2484(12) 0.2737(10) 0.042(3) Uani 1 1 d U . .
C232 C -0.1181(14) -0.3629(14) 0.2501(12) 0.062(4) Uani 1 1 d U . .
H232 H -0.1290 -0.4235 0.1848 0.074 Uiso 1 1 calc R . .
C233 C -0.0450(13) -0.1660(14) 0.3687(12) 0.064(4) Uani 1 1 d U . .
H233 H -0.0025 -0.0856 0.3894 0.077 Uiso 1 1 calc R . .
N311 N 0.3563(6) 0.2626(7) 0.3133(6) 0.044(2) Uani 1 1 d GU . .
C312 C 0.4163(5) 0.3804(7) 0.3434(6) 0.043(3) Uani 1 1 d GDU . .
C313 C 0.3641(7) 0.4326(6) 0.3274(8) 0.056(3) Uani 1 1 d GU . .
H313 H 0.4051 0.5131 0.3480 0.067 Uiso 1 1 calc R . .
C314 C 0.2519(7) 0.3670(8) 0.2814(8) 0.060(4) Uani 1 1 d GU . .
H314 H 0.2162 0.4027 0.2705 0.073 Uiso 1 1 calc R . .
C315 C 0.1918(5) 0.2492(8) 0.2514(7) 0.057(3) Uani 1 1 d GU . .
H315 H 0.1151 0.2044 0.2199 0.068 Uiso 1 1 calc R . .
C316 C 0.2440(6) 0.1970(6) 0.2673(7) 0.047(3) Uani 1 1 d GU . .
H316 H 0.2030 0.1165 0.2467 0.056 Uiso 1 1 calc R . .
N321 N 0.7125(5) 0.5703(6) 0.4557(7) 0.050(3) Uani 1 1 d GU . .
N322 N 0.6917(6) 0.4641(7) 0.4468(6) 0.049(3) Uani 1 1 d GU . .
N323 N 0.5772(6) 0.3820(6) 0.4043(7) 0.048(3) Uani 1 1 d GU . .
C324 C 0.5271(5) 0.4374(8) 0.3868(7) 0.043(3) Uani 1 1 d GDU . .
C325 C 0.6107(7) 0.5537(7) 0.4186(7) 0.050(3) Uani 1 1 d GU . .
H325 H 0.6004 0.6106 0.4156 0.060 Uiso 1 1 calc R . .
C326 C 0.8188(12) 0.6628(15) 0.4934(12) 0.057(4) Uani 1 1 d U . .
H32A H 0.8673 0.6434 0.5173 0.068 Uiso 1 1 calc R . .
H32B H 0.8237 0.7329 0.5514 0.068 Uiso 1 1 calc R . .
C331 C 0.8580(12) 0.6907(13) 0.4141(11) 0.048(3) Uani 1 1 d U . .
C332 C 0.9138(13) 0.8042(14) 0.4389(12) 0.062(4) Uani 1 1 d U . .
H332 H 0.9254 0.8646 0.5046 0.075 Uiso 1 1 calc R . .
C333 C 0.8432(15) 0.6087(14) 0.3207(13) 0.065(4) Uani 1 1 d U . .
H333 H 0.8052 0.5287 0.3018 0.078 Uiso 1 1 calc R . .
N411 N 0.4258(10) 0.1790(12) 0.5072(7) 0.087(4) Uani 1 1 d GU . .
C412 C 0.5221(8) 0.2529(13) 0.5852(9) 0.088(5) Uani 1 1 d GDU . .
C413 C 0.5182(9) 0.3054(12) 0.6841(8) 0.096(5) Uani 1 1 d GU . .
H413 H 0.5840 0.3559 0.7374 0.115 Uiso 1 1 calc R . .
C414 C 0.4180(12) 0.2840(13) 0.7051(7) 0.101(5) Uani 1 1 d GU . .
H414 H 0.4153 0.3199 0.7727 0.122 Uiso 1 1 calc R . .
C415 C 0.3217(9) 0.2101(14) 0.6272(10) 0.098(5) Uani 1 1 d GU . .
H415 H 0.2532 0.1955 0.6415 0.118 Uiso 1 1 calc R . .
C416 C 0.3256(8) 0.1576(12) 0.5282(9) 0.091(5) Uani 1 1 d GU . .
H416 H 0.2598 0.1071 0.4750 0.109 Uiso 1 1 calc R . .
N421 N 0.7849(7) 0.2884(11) 0.5455(8) 0.078(4) Uani 1 1 d GU . .
N422 N 0.7169(8) 0.2206(11) 0.4458(6) 0.084(4) Uani 1 1 d GU . .
N423 N 0.6102(7) 0.2016(11) 0.4507(7) 0.086(4) Uani 1 1 d GU . .
C424 C 0.6123(8) 0.2576(13) 0.5534(9) 0.081(4) Uani 1 1 d GDU . .
C425 C 0.7203(10) 0.3113(12) 0.6120(6) 0.077(4) Uani 1 1 d GU . .
H425 H 0.7450 0.3548 0.6832 0.093 Uiso 1 1 calc R . .
C426 C 0.8954(16) 0.325(2) 0.5622(17) 0.094(5) Uani 1 1 d U . .
H42A H 0.9050 0.2570 0.5229 0.112 Uiso 1 1 calc R . .
H42B H 0.9293 0.3617 0.6342 0.112 Uiso 1 1 calc R . .
C431 C 0.9542(18) 0.421(2) 0.5276(18) 0.097(5) Uani 1 1 d U . .
C432 C 0.9898(17) 0.539(2) 0.5944(17) 0.092(5) Uani 1 1 d U . .
H432 H 0.9816 0.5633 0.6603 0.110 Uiso 1 1 calc R . .
C433 C 0.9650(16) 0.383(2) 0.4327(17) 0.090(5) Uani 1 1 d U . .
H433 H 0.9410 0.3024 0.3871 0.108 Uiso 1 1 calc R . .
Cl1X Cl 0.8596(4) 0.0142(5) 0.2932(3) 0.0468(14) Uiso 0.805(14) 1 d PDU A 1
O12X O 0.8081(9) -0.1107(7) 0.2225(7) 0.054(3) Uiso 0.805(14) 1 d PDU A 1
O13X O 0.8432(10) 0.0352(11) 0.3892(7) 0.075(4) Uiso 0.805(14) 1 d PDU A 1
O14X O 0.9753(7) 0.0689(10) 0.3009(9) 0.076(4) Uiso 0.805(14) 1 d PDU A 1
O15X O 0.8114(11) 0.0609(11) 0.2572(10) 0.074(5) Uiso 0.805(14) 1 d PDU A 1
Cl1Y Cl 0.8764(15) 0.055(2) 0.2927(13) 0.046(5) Uiso 0.195(14) 1 d PDU A 2
O12Y O 0.975(2) 0.097(4) 0.263(3) 0.071(14) Uiso 0.195(14) 1 d PDU A 2
O13Y O 0.897(4) 0.135(4) 0.3975(16) 0.077(13) Uiso 0.195(14) 1 d PDU A 2
O14Y O 0.843(4) -0.059(3) 0.276(4) 0.078(12) Uiso 0.195(14) 1 d PDU A 2
O15Y O 0.791(3) 0.047(4) 0.234(3) 0.054(12) Uiso 0.195(14) 1 d PDU A 2
Cl2X Cl 0.0630(5) 0.4434(6) 0.1011(5) 0.0506(19) Uiso 0.654(15) 1 d PDU B 1
O22X O -0.0452(10) 0.3428(12) 0.0551(13) 0.106(7) Uiso 0.654(15) 1 d PDU B 1
O23X O 0.1372(14) 0.4167(18) 0.1328(15) 0.136(9) Uiso 0.654(15) 1 d PDU B 1
O24X O 0.0650(17) 0.5399(13) 0.1866(10) 0.104(7) Uiso 0.654(15) 1 d PDU B 1
O25X O 0.0996(12) 0.4763(13) 0.0293(10) 0.069(5) Uiso 0.654(15) 1 d PDU B 1
Cl2Y Cl 0.0688(10) 0.4378(11) 0.1237(10) 0.055(4) Uiso 0.346(15) 1 d PDU B 2
O22Y O 0.072(3) 0.400(3) 0.1929(18) 0.091(11) Uiso 0.346(15) 1 d PDU B 2
O23Y O 0.007(2) 0.3348(18) 0.0246(13) 0.071(9) Uiso 0.346(15) 1 d PDU B 2
O24Y O 0.015(3) 0.505(3) 0.154(2) 0.117(12) Uiso 0.346(15) 1 d PDU B 2
O25Y O 0.1784(15) 0.507(3) 0.123(3) 0.132(12) Uiso 0.346(15) 1 d PDU B 2
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'
O O 0.0106 0.0060 '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_
_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
N423 Pb1 N123 146.8(3) . .
N423 Pb1 N223 115.0(4) . .
N123 Pb1 N223 73.2(3) . .
N423 Pb1 N211 79.7(3) . .
N123 Pb1 N211 76.6(3) . .
N223 Pb1 N211 62.2(2) . .
N423 Pb1 N323 79.3(4) . .
N123 Pb1 N323 111.2(3) . .
N223 Pb1 N323 148.2(2) . .
N211 Pb1 N323 149.2(2) . .
N423 Pb1 N111 95.0(3) . .
N123 Pb1 N111 60.7(2) . .
N223 Pb1 N111 129.0(2) . .
N211 Pb1 N111 86.0(3) . .
N323 Pb1 N111 73.7(3) . .
N423 Pb1 N311 132.5(3) . .
N123 Pb1 N311 76.0(2) . .
N223 Pb1 N311 92.3(2) . .
N211 Pb1 N311 147.0(2) . .
N323 Pb1 N311 60.2(2) . .
N111 Pb1 N311 96.2(3) . .
N423 Pb1 N411 60.9(4) . .
N123 Pb1 N411 145.7(3) . .
N223 Pb1 N411 74.8(3) . .
N211 Pb1 N411 99.0(3) . .
N323 Pb1 N411 90.1(3) . .
N111 Pb1 N411 153.6(3) . .
N311 Pb1 N411 93.4(3) . .
C112 N111 C116 120.0 . .
C112 N111 Pb1 118.6(4) . .
C116 N111 Pb1 120.3(4) . .
C124 C112 N111 115.8(6) . .
C124 C112 C113 124.2(6) . .
N111 C112 C113 120.0 . .
C114 C113 C112 120.0 . .
C114 C113 H113 120.0 . .
C112 C113 H113 120.0 . .
C113 C114 C115 120.0 . .
C113 C114 H114 120.0 . .
C115 C114 H114 120.0 . .
C114 C115 C116 120.0 . .
C114 C115 H115 120.0 . .
C116 C115 H115 120.0 . .
C115 C116 N111 120.0 . .
C115 C116 H116 120.0 . .
N111 C116 H116 120.0 . .
C126 N121 N122 118.5(8) . .
C126 N121 C125 133.5(8) . .
N122 N121 C125 108.0 . .
N121 N122 N123 108.0 . .
C124 N123 N122 108.0 . .
C124 N123 Pb1 121.2(4) . .
N122 N123 Pb1 127.9(4) . .
C112 C124 C125 132.2(6) . .
C112 C124 N123 119.7(6) . .
C125 C124 N123 108.0 . .
C124 C125 N121 108.0 . .
C124 C125 H125 126.0 . .
N121 C125 H125 126.0 . .
N121 C126 C131 111.6(11) . .
N121 C126 H12A 109.3 . .
C131 C126 H12A 109.3 . .
N121 C126 H12B 109.3 . .
C131 C126 H12B 109.3 . .
H12A C126 H12B 108.0 . .
C132 C131 C133 118.9(12) . .
C132 C131 C126 122.5(12) . .
C133 C131 C126 118.6(12) . .
C131 C132 C133 121.9(12) . 2
C131 C132 H132 119.0 . .
C133 C132 H132 119.0 2 .
C132 C133 C131 119.2(13) 2 .
C132 C133 H133 120.4 2 .
C131 C133 H133 120.4 . .
C212 N211 C216 120.0 . .
C212 N211 Pb1 119.4(3) . .
C216 N211 Pb1 119.7(3) . .
C224 C212 N211 116.2(6) . .
C224 C212 C213 123.8(6) . .
N211 C212 C213 120.0 . .
C214 C213 C212 120.0 . .
C214 C213 H213 120.0 . .
C212 C213 H213 120.0 . .
C215 C214 C213 120.0 . .
C215 C214 H214 120.0 . .
C213 C214 H214 120.0 . .
C214 C215 C216 120.0 . .
C214 C215 H215 120.0 . .
C216 C215 H215 120.0 . .
C215 C216 N211 120.0 . .
C215 C216 H216 120.0 . .
N211 C216 H216 120.0 . .
C226 N221 N222 120.4(8) . .
C226 N221 C225 131.5(8) . .
N222 N221 C225 108.0 . .
N223 N222 N221 108.0 . .
N222 N223 C224 108.0 . .
N222 N223 Pb1 130.3(4) . .
C224 N223 Pb1 117.5(4) . .
C212 C224 C225 131.1(6) . .
C212 C224 N223 120.8(6) . .
C225 C224 N223 108.0 . .
C224 C225 N221 108.0 . .
C224 C225 H225 126.0 . .
N221 C225 H225 126.0 . .
N221 C226 C231 111.7(11) . .
N221 C226 H22A 109.3 . .
C231 C226 H22A 109.3 . .
N221 C226 H22B 109.3 . .
C231 C226 H22B 109.3 . .
H22A C226 H22B 107.9 . .
C233 C231 C232 116.8(14) . .
C233 C231 C226 121.7(14) . .
C232 C231 C226 121.4(13) . .
C231 C232 C333 121.0(14) . 1_445
C231 C232 H232 119.5 . .
C333 C232 H232 119.5 1_445 .
C231 C233 C332 121.6(15) . 1_445
C231 C233 H233 119.2 . .
C332 C233 H233 119.2 1_445 .
C312 N311 C316 120.0 . .
C312 N311 Pb1 121.5(4) . .
C316 N311 Pb1 118.0(4) . .
C324 C312 N311 115.6(7) . .
C324 C312 C313 124.4(7) . .
N311 C312 C313 120.0 . .
C314 C313 C312 120.0 . .
C314 C313 H313 120.0 . .
C312 C313 H313 120.0 . .
C315 C314 C313 120.0 . .
C315 C314 H314 120.0 . .
C313 C314 H314 120.0 . .
C314 C315 C316 120.0 . .
C314 C315 H315 120.0 . .
C316 C315 H315 120.0 . .
C315 C316 N311 120.0 . .
C315 C316 H316 120.0 . .
N311 C316 H316 120.0 . .
C326 N321 N322 118.8(10) . .
C326 N321 C325 133.2(10) . .
N322 N321 C325 108.0 . .
N323 N322 N321 108.0 . .
C324 N323 N322 108.0 . .
C324 N323 Pb1 118.6(4) . .
N322 N323 Pb1 131.8(4) . .
C312 C324 C325 129.2(7) . .
C312 C324 N323 122.8(7) . .
C325 C324 N323 108.0 . .
C324 C325 N321 108.0 . .
C324 C325 H325 126.0 . .
N321 C325 H325 126.0 . .
N321 C326 C331 111.2(12) . .
N321 C326 H32A 109.4 . .
C331 C326 H32A 109.4 . .
N321 C326 H32B 109.4 . .
C331 C326 H32B 109.4 . .
H32A C326 H32B 108.0 . .
C333 C331 C332 117.4(15) . .
C333 C331 C326 123.2(14) . .
C332 C331 C326 119.4(14) . .
C331 C332 C233 121.1(15) . 1_665
C331 C332 H332 119.4 . .
C233 C332 H332 119.4 1_665 .
C331 C333 C232 121.9(15) . 1_665
C331 C333 H333 119.0 . .
C232 C333 H333 119.0 1_665 .
C412 N411 C416 120.0 . .
C412 N411 Pb1 114.2(6) . .
C416 N411 Pb1 122.6(6) . .
C424 C412 N411 113.2(10) . .
C424 C412 C413 126.6(10) . .
N411 C412 C413 120.0 . .
C412 C413 C414 120.0 . .
C412 C413 H413 120.0 . .
C414 C413 H413 120.0 . .
C415 C414 C413 120.0 . .
C415 C414 H414 120.0 . .
C413 C414 H414 120.0 . .
C414 C415 C416 120.0 . .
C414 C415 H415 120.0 . .
C416 C415 H415 120.0 . .
C415 C416 N411 120.0 . .
C415 C416 H416 120.0 . .
N411 C416 H416 120.0 . .
C426 N421 N422 119.8(12) . .
C426 N421 C425 132.0(12) . .
N422 N421 C425 108.0 . .
N421 N422 N423 108.0 . .
C424 N423 N422 108.0 . .
C424 N423 Pb1 119.7(6) . .
N422 N423 Pb1 129.3(6) . .
C412 C424 N423 123.5(10) . .
C412 C424 C425 128.5(10) . .
N423 C424 C425 108.0 . .
N421 C425 C424 108.0 . .
N421 C425 H425 126.0 . .
C424 C425 H425 126.0 . .
N421 C426 C431 107.9(18) . .
N421 C426 H42A 110.1 . .
C431 C426 H42A 110.1 . .
N421 C426 H42B 110.1 . .
C431 C426 H42B 110.1 . .
H42A C426 H42B 108.4 . .
C433 C431 C432 121(2) . .
C433 C431 C426 119(2) . .
C432 C431 C426 120(2) . .
C433 C432 C431 121(2) 2_766 .
C433 C432 H432 119.4 2_766 .
C431 C432 H432 119.4 . .
C432 C433 C431 118(2) 2_766 .
C432 C433 H433 120.9 2_766 .
C431 C433 H433 120.9 . .
O13X Cl1X O15X 109.9(5) . .
O13X Cl1X O14X 110.0(5) . .
O15X Cl1X O14X 109.7(6) . .
O13X Cl1X O12X 109.6(5) . .
O15X Cl1X O12X 109.0(5) . .
O14X Cl1X O12X 108.6(5) . .
O15Y Cl1Y O12Y 109.7(7) . .
O15Y Cl1Y O13Y 109.8(7) . .
O12Y Cl1Y O13Y 109.5(7) . .
O15Y Cl1Y O14Y 109.4(7) . .
O12Y Cl1Y O14Y 109.3(7) . .
O13Y Cl1Y O14Y 109.2(7) . .
O22X Cl2X O24X 110.8(6) . .
O22X Cl2X O23X 110.1(6) . .
O24X Cl2X O23X 108.9(6) . .
O22X Cl2X O25X 109.2(6) . .
O24X Cl2X O25X 109.2(6) . .
O23X Cl2X O25X 108.7(6) . .
O25Y Cl2Y O24Y 110.6(7) . .
O25Y Cl2Y O23Y 109.8(7) . .
O24Y Cl2Y O23Y 109.5(7) . .
O25Y Cl2Y O22Y 109.3(7) . .
O24Y Cl2Y O22Y 109.2(7) . .
O23Y Cl2Y O22Y 108.5(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 N423 2.495(9) .
Pb1 N123 2.566(5) .
Pb1 N223 2.596(6) .
Pb1 N211 2.653(6) .
Pb1 N323 2.713(6) .
Pb1 N111 2.741(6) .
Pb1 N311 2.766(6) .
Pb1 N411 2.803(9) .
N111 C112 1.3900 .
N111 C116 1.3900 .
C112 C124 1.373(7) .
C112 C113 1.3900 .
C113 C114 1.3900 .
C113 H113 0.9500 .
C114 C115 1.3900 .
C114 H114 0.9500 .
C115 C116 1.3900 .
C115 H115 0.9500 .
C116 H116 0.9500 .
N121 C126 1.399(13) .
N121 N122 1.4200 .
N121 C125 1.4200 .
N122 N123 1.4200 .
N123 C124 1.4200 .
C124 C125 1.4200 .
C125 H125 0.9500 .
C126 C131 1.503(17) .
C126 H12A 0.9900 .
C126 H12B 0.9900 .
C131 C132 1.367(19) .
C131 C133 1.409(18) .
C132 C133 1.395(19) 2
C132 H132 0.9500 .
C133 C132 1.395(19) 2
C133 H133 0.9500 .
N211 C212 1.3900 .
N211 C216 1.3900 .
C212 C224 1.367(7) .
C212 C213 1.3900 .
C213 C214 1.3900 .
C213 H213 0.9500 .
C214 C215 1.3900 .
C214 H214 0.9500 .
C215 C216 1.3900 .
C215 H215 0.9500 .
C216 H216 0.9500 .
N221 C226 1.397(14) .
N221 N222 1.4200 .
N221 C225 1.4200 .
N222 N223 1.4200 .
N223 C224 1.4200 .
C224 C225 1.4200 .
C225 H225 0.9500 .
C226 C231 1.489(19) .
C226 H22A 0.9900 .
C226 H22B 0.9900 .
C231 C233 1.34(2) .
C231 C232 1.38(2) .
C232 C333 1.40(2) 1_445
C232 H232 0.9500 .
C233 C332 1.41(2) 1_445
C233 H233 0.9500 .
N311 C312 1.3900 .
N311 C316 1.3900 .
C312 C324 1.377(8) .
C312 C313 1.3900 .
C313 C314 1.3900 .
C313 H313 0.9500 .
C314 C315 1.3900 .
C314 H314 0.9500 .
C315 C316 1.3900 .
C315 H315 0.9500 .
C316 H316 0.9500 .
N321 C326 1.373(15) .
N321 N322 1.4200 .
N321 C325 1.4200 .
N322 N323 1.4200 .
N323 C324 1.4200 .
C324 C325 1.4200 .
C325 H325 0.9500 .
C326 C331 1.52(2) .
C326 H32A 0.9900 .
C326 H32B 0.9900 .
C331 C333 1.34(2) .
C331 C332 1.36(2) .
C332 C233 1.41(2) 1_665
C332 H332 0.9500 .
C333 C232 1.40(2) 1_665
C333 H333 0.9500 .
N411 C412 1.3900 .
N411 C416 1.3900 .
C412 C424 1.363(10) .
C412 C413 1.3900 .
C413 C414 1.3900 .
C413 H413 0.9500 .
C414 C415 1.3900 .
C414 H414 0.9500 .
C415 C416 1.3900 .
C415 H415 0.9500 .
C416 H416 0.9500 .
N421 C426 1.38(2) .
N421 N422 1.4200 .
N421 C425 1.4200 .
N422 N423 1.4200 .
N423 C424 1.4200 .
C424 C425 1.4200 .
C425 H425 0.9500 .
C426 C431 1.65(3) .
C426 H42A 0.9900 .
C426 H42B 0.9900 .
C431 C433 1.36(3) .
C431 C432 1.39(3) .
C432 C433 1.33(3) 2_766
C432 H432 0.9500 .
C433 C432 1.33(3) 2_766
C433 H433 0.9500 .
Cl1X O13X 1.430(8) .
Cl1X O15X 1.440(8) .
Cl1X O14X 1.441(8) .
Cl1X O12X 1.446(8) .
Cl1Y O15Y 1.435(10) .
Cl1Y O12Y 1.439(10) .
Cl1Y O13Y 1.439(10) .
Cl1Y O14Y 1.444(10) .
Cl2X O22X 1.426(9) .
Cl2X O24X 1.432(9) .
Cl2X O23X 1.440(9) .
Cl2X O25X 1.442(9) .
Cl2Y O25Y 1.432(10) .
Cl2Y O24Y 1.433(10) .
Cl2Y O23Y 1.445(10) .
Cl2Y O22Y 1.447(10) .
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_4
N423 Pb1 N111 C112 170.9(5) .
N123 Pb1 N111 C112 14.8(4) .
N223 Pb1 N111 C112 42.8(6) .
N211 Pb1 N111 C112 91.7(5) .
N323 Pb1 N111 C112 -111.8(5) .
N311 Pb1 N111 C112 -55.3(5) .
N411 Pb1 N111 C112 -166.1(7) .
N423 Pb1 N111 C116 -20.8(5) .
N123 Pb1 N111 C116 -177.0(5) .
N223 Pb1 N111 C116 -148.9(4) .
N211 Pb1 N111 C116 -100.1(4) .
N323 Pb1 N111 C116 56.5(4) .
N311 Pb1 N111 C116 113.0(4) .
N411 Pb1 N111 C116 2.2(9) .
C116 N111 C112 C124 -179.4(8) .
Pb1 N111 C112 C124 -11.1(8) .
C116 N111 C112 C113 0.0 .
Pb1 N111 C112 C113 168.3(5) .
C124 C112 C113 C114 179.3(9) .
N111 C112 C113 C114 0.0 .
C112 C113 C114 C115 0.0 .
C113 C114 C115 C116 0.0 .
C114 C115 C116 N111 0.0 .
C112 N111 C116 C115 0.0 .
Pb1 N111 C116 C115 -168.1(5) .
C126 N121 N122 N123 -179.5(10) .
C125 N121 N122 N123 0.0 .
N121 N122 N123 C124 0.0 .
N121 N122 N123 Pb1 160.7(6) .
N423 Pb1 N123 C124 -64.9(8) .
N223 Pb1 N123 C124 -175.0(5) .
N211 Pb1 N123 C124 -110.4(5) .
N323 Pb1 N123 C124 38.4(5) .
N111 Pb1 N123 C124 -17.4(4) .
N311 Pb1 N123 C124 88.2(5) .
N411 Pb1 N123 C124 163.3(6) .
N423 Pb1 N123 N122 136.7(7) .
N223 Pb1 N123 N122 26.6(5) .
N211 Pb1 N123 N122 91.2(5) .
N323 Pb1 N123 N122 -120.0(5) .
N111 Pb1 N123 N122 -175.8(6) .
N311 Pb1 N123 N122 -70.2(5) .
N411 Pb1 N123 N122 4.9(9) .
N111 C112 C124 C125 178.5(6) .
C113 C112 C124 C125 -0.9(12) .
N111 C112 C124 N123 -5.1(9) .
C113 C112 C124 N123 175.5(5) .
N122 N123 C124 C112 -177.2(9) .
Pb1 N123 C124 C112 20.5(9) .
N122 N123 C124 C125 0.0 .
Pb1 N123 C124 C125 -162.2(6) .
C112 C124 C125 N121 176.7(11) .
N123 C124 C125 N121 0.0 .
C126 N121 C125 C124 179.3(12) .
N122 N121 C125 C124 0.0 .
N122 N121 C126 C131 74.3(12) .
C125 N121 C126 C131 -105.0(12) .
N121 C126 C131 C132 75.1(16) .
N121 C126 C131 C133 -106.7(13) .
C133 C131 C132 C133 1(2) 2
C126 C131 C132 C133 179.2(12) 2
C132 C131 C133 C132 -1(2) 2
C126 C131 C133 C132 -179.2(12) 2
N423 Pb1 N211 C212 140.4(5) .
N123 Pb1 N211 C212 -63.0(5) .
N223 Pb1 N211 C212 14.8(5) .
N323 Pb1 N211 C212 -172.0(5) .
N111 Pb1 N211 C212 -123.8(5) .
N311 Pb1 N211 C212 -28.5(7) .
N411 Pb1 N211 C212 82.3(5) .
N423 Pb1 N211 C216 -50.8(5) .
N123 Pb1 N211 C216 105.8(5) .
N223 Pb1 N211 C216 -176.4(6) .
N323 Pb1 N211 C216 -3.2(8) .
N111 Pb1 N211 C216 45.1(5) .
N311 Pb1 N211 C216 140.3(5) .
N411 Pb1 N211 C216 -108.9(5) .
C216 N211 C212 C224 179.7(9) .
Pb1 N211 C212 C224 -11.5(8) .
C216 N211 C212 C213 0.0 .
Pb1 N211 C212 C213 168.8(6) .
C224 C212 C213 C214 -179.7(10) .
N211 C212 C213 C214 0.0 .
C212 C213 C214 C215 0.0 .
C213 C214 C215 C216 0.0 .
C214 C215 C216 N211 0.0 .
C212 N211 C216 C215 0.0 .
Pb1 N211 C216 C215 -168.7(6) .
C226 N221 N222 N223 177.3(10) .
C225 N221 N222 N223 0.0 .
N221 N222 N223 C224 0.0 .
N221 N222 N223 Pb1 155.7(7) .
N423 Pb1 N223 N222 127.7(6) .
N123 Pb1 N223 N222 -86.9(6) .
N211 Pb1 N223 N222 -170.3(6) .
N323 Pb1 N223 N222 16.3(9) .
N111 Pb1 N223 N222 -112.2(6) .
N311 Pb1 N223 N222 -12.3(6) .
N411 Pb1 N223 N222 80.7(6) .
N423 Pb1 N223 C224 -78.5(6) .
N123 Pb1 N223 C224 67.0(5) .
N211 Pb1 N223 C224 -16.5(5) .
N323 Pb1 N223 C224 170.1(5) .
N111 Pb1 N223 C224 41.6(6) .
N311 Pb1 N223 C224 141.5(5) .
N411 Pb1 N223 C224 -125.5(6) .
N211 C212 C224 C225 173.1(6) .
C213 C212 C224 C225 -7.2(12) .
N211 C212 C224 N223 -5.0(10) .
C213 C212 C224 N223 174.7(6) .
N222 N223 C224 C212 178.5(10) .
Pb1 N223 C224 C212 19.2(9) .
N222 N223 C224 C225 0.0 .
Pb1 N223 C224 C225 -159.3(6) .
C212 C224 C225 N221 -178.3(11) .
N223 C224 C225 N221 0.0 .
C226 N221 C225 C224 -176.9(12) .
N222 N221 C225 C224 0.0 .
N222 N221 C226 C231 -88.3(13) .
C225 N221 C226 C231 88.3(14) .
N221 C226 C231 C233 76.8(18) .
N221 C226 C231 C232 -100.1(17) .
C233 C231 C232 C333 4(3) 1_445
C226 C231 C232 C333 -178.6(15) 1_445
C232 C231 C233 C332 -6(3) 1_445
C226 C231 C233 C332 177.4(15) 1_445
N423 Pb1 N311 C312 43.8(7) .
N123 Pb1 N311 C312 -116.5(5) .
N223 Pb1 N311 C312 171.5(5) .
N211 Pb1 N311 C312 -151.1(5) .
N323 Pb1 N311 C312 8.3(4) .
N111 Pb1 N311 C312 -58.9(5) .
N411 Pb1 N311 C312 96.5(5) .
N423 Pb1 N311 C316 -143.7(5) .
N123 Pb1 N311 C316 56.0(4) .
N223 Pb1 N311 C316 -16.0(5) .
N211 Pb1 N311 C316 21.4(7) .
N323 Pb1 N311 C316 -179.2(5) .
N111 Pb1 N311 C316 113.6(4) .
N411 Pb1 N311 C316 -91.0(5) .
C316 N311 C312 C324 -179.1(9) .
Pb1 N311 C312 C324 -6.7(8) .
C316 N311 C312 C313 0.0 .
Pb1 N311 C312 C313 172.3(6) .
C324 C312 C313 C314 179.0(10) .
N311 C312 C313 C314 0.0 .
C312 C313 C314 C315 0.0 .
C313 C314 C315 C316 0.0 .
C314 C315 C316 N311 0.0 .
C312 N311 C316 C315 0.0 .
Pb1 N311 C316 C315 -172.6(5) .
C326 N321 N322 N323 -178.6(11) .
C325 N321 N322 N323 0.0 .
N321 N322 N323 C324 0.0 .
N321 N322 N323 Pb1 165.3(7) .
N423 Pb1 N323 C324 -163.2(6) .
N123 Pb1 N323 C324 49.6(5) .
N223 Pb1 N323 C324 -42.4(8) .
N211 Pb1 N323 C324 149.0(5) .
N111 Pb1 N323 C324 98.3(5) .
N311 Pb1 N323 C324 -9.0(5) .
N411 Pb1 N323 C324 -102.9(5) .
N423 Pb1 N323 N322 32.7(6) .
N123 Pb1 N323 N322 -114.5(6) .
N223 Pb1 N323 N322 153.5(6) .
N211 Pb1 N323 N322 -15.0(9) .
N111 Pb1 N323 N322 -65.8(6) .
N311 Pb1 N323 N322 -173.1(7) .
N411 Pb1 N323 N322 93.0(6) .
N311 C312 C324 C325 175.2(6) .
C313 C312 C324 C325 -3.8(12) .
N311 C312 C324 N323 -2.6(11) .
C313 C312 C324 N323 178.3(6) .
N322 N323 C324 C312 178.2(10) .
Pb1 N323 C324 C312 10.6(10) .
N322 N323 C324 C325 0.0 .
Pb1 N323 C324 C325 -167.6(6) .
C312 C324 C325 N321 -178.1(11) .
N323 C324 C325 N321 0.0 .
C326 N321 C325 C324 178.4(13) .
N322 N321 C325 C324 0.0 .
N322 N321 C326 C331 114.2(12) .
C325 N321 C326 C331 -64.0(18) .
N321 C326 C331 C333 -47(2) .
N321 C326 C331 C332 135.3(16) .
C333 C331 C332 C233 0(3) 1_665
C326 C331 C332 C233 177.6(16) 1_665
C332 C331 C333 C232 -1(3) 1_665
C326 C331 C333 C232 -178.7(16) 1_665
N423 Pb1 N411 C412 25.0(7) .
N123 Pb1 N411 C412 177.2(6) .
N223 Pb1 N411 C412 155.6(7) .
N211 Pb1 N411 C412 97.8(6) .
N323 Pb1 N411 C412 -52.7(7) .
N111 Pb1 N411 C412 -1.5(11) .
N311 Pb1 N411 C412 -112.9(6) .
N423 Pb1 N411 C416 -175.3(9) .
N123 Pb1 N411 C416 -23.1(10) .
N223 Pb1 N411 C416 -44.6(7) .
N211 Pb1 N411 C416 -102.5(7) .
N323 Pb1 N411 C416 107.0(7) .
N111 Pb1 N411 C416 158.3(8) .
N311 Pb1 N411 C416 46.8(7) .
C416 N411 C412 C424 174.8(15) .
Pb1 N411 C412 C424 -24.9(12) .
C416 N411 C412 C413 0.0 .
Pb1 N411 C412 C413 160.3(8) .
C424 C412 C413 C414 -174.1(17) .
N411 C412 C413 C414 0.0 .
C412 C413 C414 C415 0.0 .
C413 C414 C415 C416 0.0 .
C414 C415 C416 N411 0.0 .
C412 N411 C416 C415 0.0 .
Pb1 N411 C416 C415 -158.6(9) .
C426 N421 N422 N423 -176.5(18) .
C425 N421 N422 N423 0.0 .
N421 N422 N423 C424 0.0 .
N421 N422 N423 Pb1 160.0(11) .
N123 Pb1 N423 C424 -173.2(7) .
N223 Pb1 N423 C424 -75.8(8) .
N211 Pb1 N423 C424 -128.4(8) .
N323 Pb1 N423 C424 74.3(8) .
N111 Pb1 N423 C424 146.6(7) .
N311 Pb1 N423 C424 43.4(9) .
N411 Pb1 N423 C424 -21.9(7) .
N123 Pb1 N423 N422 28.8(13) .
N223 Pb1 N423 N422 126.2(8) .
N211 Pb1 N423 N422 73.6(9) .
N323 Pb1 N423 N422 -83.7(9) .
N111 Pb1 N423 N422 -11.3(9) .
N311 Pb1 N423 N422 -114.6(9) .
N411 Pb1 N423 N422 -179.9(11) .
N411 C412 C424 N423 5.6(17) .
C413 C412 C424 N423 -180.0(9) .
N411 C412 C424 C425 -171.3(10) .
C413 C412 C424 C425 3(2) .
N422 N423 C424 C412 -177.4(17) .
Pb1 N423 C424 C412 20.3(16) .
N422 N423 C424 C425 0.0 .
Pb1 N423 C424 C425 -162.2(10) .
C426 N421 C425 C424 176(2) .
N422 N421 C425 C424 0.0 .
C412 C424 C425 N421 177.2(18) .
N423 C424 C425 N421 0.0 .
N422 N421 C426 C431 67(2) .
C425 N421 C426 C431 -108.2(19) .
N421 C426 C431 C433 -93(2) .
N421 C426 C431 C432 85(2) .
C433 C431 C432 C433 0(4) 2_766
C426 C431 C432 C433 -178.2(19) 2_766
C432 C431 C433 C432 0(4) 2_766
C426 C431 C433 C432 178.3(18) 2_766
