#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:59:30 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180459 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/28/7212842.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_7212842
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            'C49 H47 Cl4 N17 O22 Pb2'
_chemical_formula_weight         1782.22
_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                102.909(3)
_cell_angle_beta                 102.681(3)
_cell_angle_gamma                102.962(2)
_cell_formula_units_Z            1
_cell_length_a                   11.6268(6)
_cell_length_b                   12.1895(6)
_cell_length_c                   13.5805(7)
_cell_measurement_reflns_used    2846
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.71
_cell_measurement_theta_min      2.72
_cell_volume                     1753.04(16)
_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 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.0670
_diffrn_reflns_av_sigmaI/netI    0.0982
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21014
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    5.029
_exptl_absorpt_correction_T_max  0.6891
_exptl_absorpt_correction_T_min  0.5000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.593
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.215
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         7816
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0867P)²+4.2541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1610
_reflns_number_gt                5679
_reflns_number_total             7816
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00176g.txt
_cod_data_source_block           imw1255p-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        1753.04(15)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7212842
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 0.20092(3) 0.14484(3) 0.26052(3) 0.02678(13) Uani 1 1 d . . .
N111 N 0.2591(7) 0.3656(7) 0.3528(6) 0.0298(18) Uani 1 1 d . A .
C112 C 0.2259(8) 0.4410(8) 0.3010(8) 0.030(2) Uani 1 1 d . . .
C113 C 0.2557(10) 0.5609(9) 0.3521(9) 0.040(3) Uani 1 1 d . A .
H113 H 0.2334 0.6126 0.3134 0.048 Uiso 1 1 calc R . .
C114 C 0.3171(9) 0.6051(8) 0.4579(9) 0.037(2) Uani 1 1 d . . .
H114 H 0.3350 0.6859 0.4940 0.045 Uiso 1 1 calc R A .
C115 C 0.3511(10) 0.5269(9) 0.5089(9) 0.045(3) Uani 1 1 d . A .
H115 H 0.3941 0.5533 0.5819 0.054 Uiso 1 1 calc R . .
C116 C 0.3226(9) 0.4099(9) 0.4539(8) 0.036(2) Uani 1 1 d . . .
H116 H 0.3499 0.3581 0.4902 0.043 Uiso 1 1 calc R A .
N121 N 0.1166(7) 0.2785(7) 0.1439(6) 0.0272(17) Uani 1 1 d . A .
N122 N 0.0621(7) 0.2647(7) 0.0415(6) 0.0311(18) Uani 1 1 d . . .
C123 C 0.1600(9) 0.3940(8) 0.1883(8) 0.032(2) Uani 1 1 d . A .
C124 C 0.1322(11) 0.4541(10) 0.1146(10) 0.050(3) Uani 1 1 d . . .
H124 H 0.1515 0.5369 0.1271 0.060 Uiso 1 1 calc R A .
C125 C 0.0708(11) 0.3693(9) 0.0195(9) 0.045(3) Uani 1 1 d . A .
H125 H 0.0412 0.3814 -0.0470 0.054 Uiso 1 1 calc R . .
C126 C 0.0147(8) 0.1498(8) -0.0330(8) 0.031(2) Uani 1 1 d . . .
H12A H -0.0491 0.1514 -0.0940 0.038 Uiso 1 1 calc R . .
H12B H -0.0247 0.0932 0.0004 0.038 Uiso 1 1 calc R . .
N211 N 0.2887(7) 0.1414(7) 0.4453(6) 0.0302(18) Uani 1 1 d . A .
C212 C 0.2165(8) 0.1403(8) 0.5109(8) 0.032(2) Uani 1 1 d . . .
C213 C 0.2564(11) 0.1326(11) 0.6133(9) 0.048(3) Uani 1 1 d . A .
H213 H 0.2041 0.1339 0.6581 0.058 Uiso 1 1 calc R . .
C214 C 0.3754(10) 0.1230(12) 0.6484(10) 0.054(3) Uani 1 1 d . . .
H214 H 0.4053 0.1160 0.7170 0.064 Uiso 1 1 calc R A .
C215 C 0.4491(9) 0.1240(10) 0.5793(9) 0.044(3) Uani 1 1 d . A .
H215 H 0.5311 0.1201 0.6017 0.053 Uiso 1 1 calc R . .
C216 C 0.4027(8) 0.1307(9) 0.4788(9) 0.037(2) Uani 1 1 d . . .
H216 H 0.4524 0.1277 0.4319 0.045 Uiso 1 1 calc R A .
N221 N 0.0608(6) 0.1592(6) 0.3697(6) 0.0288(18) Uani 1 1 d . A .
N222 N -0.0561(7) 0.1667(7) 0.3503(7) 0.0314(19) Uani 1 1 d . . .
C223 C 0.0927(8) 0.1501(8) 0.4661(8) 0.032(2) Uani 1 1 d . A .
C224 C -0.0069(9) 0.1505(9) 0.5104(9) 0.038(2) Uani 1 1 d . . .
H224 H -0.0095 0.1451 0.5786 0.046 Uiso 1 1 calc R A .
C225 C -0.0974(9) 0.1604(9) 0.4341(9) 0.041(3) Uani 1 1 d . A .
H225 H -0.1772 0.1625 0.4391 0.049 Uiso 1 1 calc R . .
C226 C -0.1208(9) 0.1662(9) 0.2460(8) 0.036(2) Uani 1 1 d . A .
H17A H -0.0652 0.2187 0.2193 0.044 Uiso 1 1 calc R . .
H17B H -0.1921 0.1969 0.2500 0.044 Uiso 1 1 calc R . .
N251 N -0.0800(7) 0.0026(7) 0.1352(6) 0.0286(18) Uani 1 1 d . A .
C252 C -0.1653(9) 0.0439(9) 0.1703(8) 0.032(2) Uani 1 1 d . . .
C253 C -0.2879(10) -0.0219(11) 0.1438(9) 0.048(3) Uani 1 1 d . A .
H253 H -0.3462 0.0101 0.1701 0.058 Uiso 1 1 calc R . .
C254 C -0.3214(10) -0.1329(12) 0.0796(11) 0.061(4) Uani 1 1 d . . .
H254 H -0.4043 -0.1801 0.0605 0.074 Uiso 1 1 calc R A .
C255 C -0.2343(10) -0.1786(11) 0.0412(10) 0.054(3) Uani 1 1 d . A .
H255 H -0.2570 -0.2560 -0.0047 0.065 Uiso 1 1 calc R . .
C256 C -0.1157(9) -0.1084(9) 0.0717(8) 0.035(2) Uani 1 1 d . . .
Cl11 Cl 0.5261(2) 0.1955(2) 0.2376(2) 0.0416(6) Uani 1 1 d D . .
O12X O 0.5825(12) 0.1366(13) 0.3071(8) 0.048(4) Uiso 0.62(3) 1 d PD A 1
O13X O 0.4597(10) 0.1120(12) 0.1366(7) 0.064(5) Uiso 0.62(3) 1 d PD A 1
O14X O 0.4423(9) 0.2471(11) 0.2822(9) 0.054(9) Uiso 0.62(3) 1 d PD A 1
O15X O 0.6200(10) 0.2863(8) 0.2249(15) 0.070(5) Uiso 0.62(3) 1 d PD A 1
O12Y O 0.6167(14) 0.1804(19) 0.3206(8) 0.038(6) Uiso 0.38(3) 1 d PD A 2
O13Y O 0.4497(12) 0.0820(9) 0.1693(17) 0.058(8) Uiso 0.38(3) 1 d PD A 2
O14Y O 0.4507(12) 0.2593(14) 0.2825(11) 0.029(10) Uiso 0.38(3) 1 d PD A 2
O15Y O 0.5870(18) 0.2601(18) 0.1776(18) 0.054(8) Uiso 0.38(3) 1 d PD A 2
Cl21 Cl 0.1984(2) 0.8522(2) 0.2888(2) 0.0383(6) Uani 1 1 d . . .
O22 O 0.2399(6) 0.8366(6) 0.3903(6) 0.0386(17) Uani 1 1 d . . .
O23 O 0.1509(9) 0.7410(7) 0.2093(7) 0.076(3) Uani 1 1 d . . .
O24 O 0.1034(6) 0.9115(6) 0.2873(6) 0.0357(16) Uani 1 1 d . . .
O25 O 0.2994(8) 0.9276(8) 0.2653(7) 0.053(2) Uani 1 1 d . . .
O11V O 0.390(2) 0.688(2) 0.068(2) 0.042(5) Uiso 0.25 1 d PDU B 1
O12V O 0.2134(19) 0.647(2) -0.049(2) 0.044(5) Uiso 0.25 1 d PDU B 1
N13V N 0.308(2) 0.7163(15) 0.016(2) 0.042(4) Uiso 0.25 1 d PDU B 1
C14V C 0.329(4) 0.8422(17) 0.024(5) 0.041(5) Uiso 0.25 1 d PDU B 1
H14A H 0.3935 0.8664 -0.0100 0.062 Uiso 0.25 1 calc PR B 1
H14B H 0.3562 0.8882 0.0979 0.062 Uiso 0.25 1 calc PR B 1
H14C H 0.2532 0.8556 -0.0121 0.062 Uiso 0.25 1 calc PR B 1
O11W O 0.1838(18) 0.696(2) -0.068(2) 0.044(5) Uiso 0.25 1 d PDU C 2
O12W O 0.341(2) 0.662(2) 0.028(2) 0.046(5) Uiso 0.25 1 d PDU C 2
N13W N 0.286(2) 0.7275(15) -0.006(2) 0.043(4) Uiso 0.25 1 d PDU C 2
C14W C 0.345(4) 0.8551(16) 0.039(5) 0.043(5) Uiso 0.25 1 d PDU C 2
H14D H 0.3835 0.8851 -0.0109 0.064 Uiso 0.25 1 calc PR C 2
H14E H 0.4076 0.8705 0.1055 0.064 Uiso 0.25 1 calc PR C 2
H14F H 0.2824 0.8944 0.0513 0.064 Uiso 0.25 1 calc PR C 2
O21X O 0.3496(17) 0.392(2) 0.8334(15) 0.070(4) Uiso 0.40 1 d PDU D 1
O22X O 0.4174(19) 0.422(2) 0.7020(13) 0.072(4) Uiso 0.40 1 d PDU D 1
N23X N 0.4245(16) 0.4430(19) 0.7964(12) 0.068(4) Uiso 0.40 1 d PDU D 1
C24X C 0.535(2) 0.532(3) 0.8712(18) 0.065(5) Uiso 0.40 1 d PDU D 1
H24A H 0.5174 0.5614 0.9380 0.097 Uiso 0.40 1 calc PR D 1
H24B H 0.5581 0.5977 0.8418 0.097 Uiso 0.40 1 calc PR D 1
H24C H 0.6029 0.4972 0.8836 0.097 Uiso 0.40 1 calc PR D 1
O21Y O 0.445(4) 0.338(4) 0.887(5) 0.046(11) Uiso 0.10 1 d PDU E 2
O22Y O 0.562(4) 0.356(5) 0.783(5) 0.044(11) Uiso 0.10 1 d PDU E 2
N23Y N 0.509(4) 0.395(3) 0.846(4) 0.045(10) Uiso 0.10 1 d PDU E 2
C24Y C 0.510(10) 0.520(4) 0.862(8) 0.044(11) Uiso 0.10 1 d PDU E 2
H24D H 0.5189 0.5429 0.7989 0.067 Uiso 0.10 1 calc PR E 2
H24E H 0.5796 0.5690 0.9225 0.067 Uiso 0.10 1 calc PR E 2
H24F H 0.4331 0.5291 0.8753 0.067 Uiso 0.10 1 calc PR E 2
O31X O -0.257(3) 0.585(4) 0.303(4) 0.081(9) Uiso 0.20 1 d PDU F 1
O32X O -0.092(4) 0.528(4) 0.304(4) 0.080(9) Uiso 0.20 1 d PDU F 1
N33X N -0.164(3) 0.583(3) 0.276(3) 0.080(9) Uiso 0.20 1 d PDU F 1
C34X C -0.126(6) 0.665(6) 0.216(5) 0.079(10) Uiso 0.20 1 d PDU F 1
H34A H -0.0414 0.7143 0.2519 0.118 Uiso 0.20 1 calc PR F 1
H34B H -0.1812 0.7143 0.2101 0.118 Uiso 0.20 1 calc PR F 1
H34C H -0.1297 0.6198 0.1447 0.118 Uiso 0.20 1 calc PR F 1
O31Y O -0.009(2) 0.421(2) 0.402(2) 0.066(5) Uiso 0.30 1 d PDU . 2
O32Y O -0.041(3) 0.568(2) 0.5042(17) 0.066(5) Uiso 0.30 1 d PDU . 2
N33Y N -0.052(3) 0.503(2) 0.4170(14) 0.066(5) Uiso 0.30 1 d PDU . 2
C34Y C -0.112(5) 0.534(4) 0.324(2) 0.065(6) Uiso 0.30 1 d PDU G 2
H34D H -0.1344 0.6062 0.3462 0.098 Uiso 0.30 1 calc PR G 2
H34E H -0.1858 0.4698 0.2817 0.098 Uiso 0.30 1 calc PR G 2
H34F H -0.0547 0.5459 0.2808 0.098 Uiso 0.30 1 calc PR G 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'
Cl Cl 0.1484 0.1585 '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'
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
N221 Pb1 N211 66.1(3) . .
N221 Pb1 N111 76.4(3) . .
N211 Pb1 N111 81.4(2) . .
N221 Pb1 N121 94.8(2) . .
N211 Pb1 N121 143.7(2) . .
N111 Pb1 N121 63.6(2) . .
N221 Pb1 O14X 136.3(3) . .
N211 Pb1 O14X 81.7(3) . .
N111 Pb1 O14X 69.9(2) . .
N121 Pb1 O14X 94.4(3) . .
C116 N111 C112 117.5(8) . .
C116 N111 Pb1 121.1(6) . .
C112 N111 Pb1 121.4(6) . .
N111 C112 C113 121.2(9) . .
N111 C112 C123 118.1(8) . .
C113 C112 C123 120.7(9) . .
C114 C113 C112 120.8(10) . .
C114 C113 H113 119.6 . .
C112 C113 H113 119.6 . .
C115 C114 C113 117.0(9) . .
C115 C114 H114 121.5 . .
C113 C114 H114 121.5 . .
C114 C115 C116 119.8(10) . .
C114 C115 H115 120.1 . .
C116 C115 H115 120.1 . .
N111 C116 C115 123.6(10) . .
N111 C116 H116 118.2 . .
C115 C116 H116 118.2 . .
C123 N121 N122 105.5(8) . .
C123 N121 Pb1 115.6(6) . .
N122 N121 Pb1 137.0(5) . .
N121 N122 C125 112.2(8) . .
N121 N122 C126 120.7(8) . .
C125 N122 C126 126.7(9) . .
N121 C123 C124 110.7(9) . .
N121 C123 C112 120.1(9) . .
C124 C123 C112 129.1(9) . .
C125 C124 C123 106.2(9) . .
C125 C124 H124 126.9 . .
C123 C124 H124 126.9 . .
N122 C125 C124 105.3(10) . .
N122 C125 H125 127.3 . .
C124 C125 H125 127.3 . .
N122 C126 C256 111.8(8) . 2
N122 C126 H12A 109.2 . .
C256 C126 H12A 109.2 2 .
N122 C126 H12B 109.2 . .
C256 C126 H12B 109.2 2 .
H12A C126 H12B 107.9 . .
C216 N211 C212 118.6(9) . .
C216 N211 Pb1 121.9(7) . .
C212 N211 Pb1 119.2(6) . .
N211 C212 C213 122.8(9) . .
N211 C212 C223 114.5(9) . .
C213 C212 C223 122.7(10) . .
C212 C213 C214 118.4(11) . .
C212 C213 H213 120.8 . .
C214 C213 H213 120.8 . .
C213 C214 C215 118.1(11) . .
C213 C214 H214 121.0 . .
C215 C214 H214 121.0 . .
C216 C215 C214 120.0(10) . .
C216 C215 H215 120.0 . .
C214 C215 H215 120.0 . .
N211 C216 C215 121.9(11) . .
N211 C216 H216 119.0 . .
C215 C216 H216 119.0 . .
C223 N221 N222 107.0(8) . .
C223 N221 Pb1 119.8(6) . .
N222 N221 Pb1 133.0(6) . .
C225 N222 N221 109.9(8) . .
C225 N222 C226 130.0(8) . .
N221 N222 C226 119.6(8) . .
N221 C223 C224 109.6(8) . .
N221 C223 C212 120.1(9) . .
C224 C223 C212 130.3(10) . .
C225 C224 C223 104.8(10) . .
C225 C224 H224 127.6 . .
C223 C224 H224 127.6 . .
N222 C225 C224 108.8(9) . .
N222 C225 H225 125.6 . .
C224 C225 H225 125.6 . .
N222 C226 C252 111.4(8) . .
N222 C226 H17A 109.3 . .
C252 C226 H17A 109.3 . .
N222 C226 H17B 109.3 . .
C252 C226 H17B 109.3 . .
H17A C226 H17B 108.0 . .
C252 N251 C256 117.7(8) . .
N251 C252 C253 123.1(9) . .
N251 C252 C226 116.3(8) . .
C253 C252 C226 120.5(9) . .
C254 C253 C252 118.0(10) . .
C254 C253 H253 121.0 . .
C252 C253 H253 121.0 . .
C253 C254 C255 120.3(11) . .
C253 C254 H254 119.9 . .
C255 C254 H254 119.9 . .
C256 C255 C254 118.0(11) . .
C256 C255 H255 121.0 . .
C254 C255 H255 121.0 . .
N251 C256 C255 122.9(10) . .
N251 C256 C126 115.2(8) . 2
C255 C256 C126 121.9(10) . 2
O13X Cl11 O12Y 127.3(8) . .
O13X Cl11 O15X 109.6(3) . .
O12Y Cl11 O15X 89.5(7) . .
O13X Cl11 O15Y 84.6(8) . .
O12Y Cl11 O15Y 109.6(3) . .
O15X Cl11 O15Y 25.6(7) . .
O13X Cl11 O14Y 112.7(10) . .
O12Y Cl11 O14Y 109.5(3) . .
O15X Cl11 O14Y 103.2(10) . .
O15Y Cl11 O14Y 109.5(3) . .
O13X Cl11 O13Y 26.0(7) . .
O12Y Cl11 O13Y 109.5(3) . .
O15X Cl11 O13Y 133.1(9) . .
O15Y Cl11 O13Y 109.4(3) . .
O14Y Cl11 O13Y 109.4(3) . .
O13X Cl11 O12X 109.5(3) . .
O12Y Cl11 O12X 22.1(7) . .
O15X Cl11 O12X 109.5(3) . .
O15Y Cl11 O12X 125.3(9) . .
O14Y Cl11 O12X 112.2(9) . .
O13Y Cl11 O12X 88.5(8) . .
O13X Cl11 O14X 109.5(3) . .
O12Y Cl11 O14X 109.1(10) . .
O15X Cl11 O14X 109.5(3) . .
O15Y Cl11 O14X 114.9(11) . .
O14Y Cl11 O14X 6.2(10) . .
O13Y Cl11 O14X 104.1(9) . .
O12X Cl11 O14X 109.4(3) . .
Cl11 O14X Pb1 128.0(6) . .
O22 Cl21 O23 110.6(5) . .
O22 Cl21 O24 110.2(4) . .
O23 Cl21 O24 109.4(4) . .
O22 Cl21 O25 110.1(5) . .
O23 Cl21 O25 109.9(6) . .
O24 Cl21 O25 106.6(4) . .
O11V N13V O12V 125.0(3) . .
O11V N13V C14V 117.1(2) . .
O12V N13V C14V 117.5(2) . .
N13V C14V H14A 109.5 . .
N13V C14V H14B 109.5 . .
H14A C14V H14B 109.5 . .
N13V C14V H14C 109.5 . .
H14A C14V H14C 109.5 . .
H14B C14V H14C 109.5 . .
O11W N13W O12W 125.2(3) . .
O11W N13W C14W 117.1(2) . .
O12W N13W C14W 117.5(2) . .
N13W C14W H14D 109.5 . .
N13W C14W H14E 109.5 . .
H14D C14W H14E 109.5 . .
N13W C14W H14F 109.5 . .
H14D C14W H14F 109.5 . .
H14E C14W H14F 109.5 . .
O21X N23X O22X 125.2(2) . .
O21X N23X C24X 117.2(2) . .
O22X N23X C24X 117.6(2) . .
N23X C24X H24A 109.5 . .
N23X C24X H24B 109.5 . .
H24A C24X H24B 109.5 . .
N23X C24X H24C 109.5 . .
H24A C24X H24C 109.5 . .
H24B C24X H24C 109.5 . .
O21Y N23Y O22Y 125.0(3) . .
O21Y N23Y C24Y 117.1(3) . .
O22Y N23Y C24Y 117.5(3) . .
N23Y C24Y H24D 109.5 . .
N23Y C24Y H24E 109.5 . .
H24D C24Y H24E 109.5 . .
N23Y C24Y H24F 109.5 . .
H24D C24Y H24F 109.5 . .
H24E C24Y H24F 109.5 . .
O31X N33X O32X 125.0(3) . .
O31X N33X C34X 117.0(3) . .
O32X N33X C34X 117.5(3) . .
N33X C34X H34A 109.5 . .
N33X C34X H34B 109.5 . .
H34A C34X H34B 109.5 . .
N33X C34X H34C 109.5 . .
H34A C34X H34C 109.5 . .
H34B C34X H34C 109.5 . .
N33Y O31Y O32Y 97(2) . 2_566
N33Y O32Y O31Y 138(2) . 2_566
N33Y O32Y N33Y 97.1(15) . 2_566
O31Y O32Y N33Y 41.0(13) 2_566 2_566
O31Y N33Y O32Y 125.1(3) . .
O31Y N33Y C34Y 117.1(2) . .
O32Y N33Y C34Y 117.6(2) . .
O31Y N33Y O32Y 42.1(15) . 2_566
O32Y N33Y O32Y 82.9(15) . 2_566
C34Y N33Y O32Y 158.7(16) . 2_566
N33Y C34Y H34D 109.5 . .
N33Y C34Y H34E 109.5 . .
H34D C34Y H34E 109.5 . .
N33Y C34Y H34F 109.5 . .
H34D C34Y H34F 109.5 . .
H34E C34Y H34F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 N221 2.440(8) .
Pb1 N211 2.506(8) .
Pb1 N111 2.564(8) .
Pb1 N121 2.704(7) .
Pb1 O14X 2.724(10) .
N111 C116 1.328(12) .
N111 C112 1.348(12) .
C112 C113 1.398(13) .
C112 C123 1.468(13) .
C113 C114 1.376(15) .
C113 H113 0.9500 .
C114 C115 1.375(15) .
C114 H114 0.9500 .
C115 C116 1.381(14) .
C115 H115 0.9500 .
C116 H116 0.9500 .
N121 C123 1.329(12) .
N121 N122 1.351(11) .
N122 C125 1.360(13) .
N122 C126 1.437(12) .
C123 C124 1.391(15) .
C124 C125 1.384(15) .
C124 H124 0.9500 .
C125 H125 0.9500 .
C126 C256 1.526(13) 2
C126 H12A 0.9900 .
C126 H12B 0.9900 .
N211 C216 1.349(11) .
N211 C212 1.351(13) .
C212 C213 1.397(15) .
C212 C223 1.477(12) .
C213 C214 1.401(15) .
C213 H213 0.9500 .
C214 C215 1.403(17) .
C214 H214 0.9500 .
C215 C216 1.381(15) .
C215 H215 0.9500 .
C216 H216 0.9500 .
N221 C223 1.317(13) .
N221 N222 1.354(10) .
N222 C225 1.339(14) .
N222 C226 1.449(13) .
C223 C224 1.417(14) .
C224 C225 1.353(15) .
C224 H224 0.9500 .
C225 H225 0.9500 .
C226 C252 1.511(14) .
C226 H17A 0.9900 .
C226 H17B 0.9900 .
N251 C252 1.338(11) .
N251 C256 1.347(13) .
C252 C253 1.392(15) .
C253 C254 1.353(16) .
C253 H253 0.9500 .
C254 C255 1.400(16) .
C254 H254 0.9500 .
C255 C256 1.366(14) .
C255 H255 0.9500 .
C256 C126 1.526(13) 2
Cl11 O13X 1.4391(19) .
Cl11 O12Y 1.4393(19) .
Cl11 O15X 1.4396(19) .
Cl11 O15Y 1.4398(19) .
Cl11 O14Y 1.4408(19) .
Cl11 O13Y 1.4409(19) .
Cl11 O12X 1.4410(19) .
Cl11 O14X 1.4412(19) .
Cl21 O22 1.426(7) .
Cl21 O23 1.434(8) .
Cl21 O24 1.448(6) .
Cl21 O25 1.462(9) .
O11V N13V 1.219(2) .
O12V N13V 1.231(2) .
N13V C14V 1.474(2) .
C14V H14A 0.9800 .
C14V H14B 0.9800 .
C14V H14C 0.9800 .
O11W N13W 1.2181(19) .
O12W N13W 1.2311(19) .
N13W C14W 1.4741(19) .
C14W H14D 0.9800 .
C14W H14E 0.9800 .
C14W H14F 0.9800 .
O21X N23X 1.2177(18) .
O22X N23X 1.2310(18) .
N23X C24X 1.4737(19) .
C24X H24A 0.9800 .
C24X H24B 0.9800 .
C24X H24C 0.9800 .
O21Y N23Y 1.218(2) .
O22Y N23Y 1.232(2) .
N23Y C24Y 1.474(2) .
C24Y H24D 0.9800 .
C24Y H24E 0.9800 .
C24Y H24F 0.9800 .
O31X N33X 1.219(2) .
O32X N33X 1.232(2) .
N33X C34X 1.475(2) .
C34X H34A 0.9800 .
C34X H34B 0.9800 .
C34X H34C 0.9800 .
O31Y N33Y 1.2183(19) .
O31Y O32Y 1.24(3) 2_566
O32Y N33Y 1.2311(19) .
O32Y O31Y 1.24(3) 2_566
O32Y N33Y 1.84(4) 2_566
N33Y C34Y 1.4740(19) .
N33Y O32Y 1.84(4) 2_566
C34Y H34D 0.9800 .
C34Y H34E 0.9800 .
C34Y H34F 0.9800 .
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_4
N221 Pb1 N111 C116 74.6(8) . .
N211 Pb1 N111 C116 7.2(7) . .
N121 Pb1 N111 C116 177.1(8) . .
O14X Pb1 N111 C116 -77.1(8) . .
N221 Pb1 N111 C112 -105.0(7) . .
N211 Pb1 N111 C112 -172.4(7) . .
N121 Pb1 N111 C112 -2.5(7) . .
O14X Pb1 N111 C112 103.3(8) . .
C116 N111 C112 C113 -0.9(14) . .
Pb1 N111 C112 C113 178.7(7) . .
C116 N111 C112 C123 177.6(9) . .
Pb1 N111 C112 C123 -2.8(12) . .
N111 C112 C113 C114 -1.8(16) . .
C123 C112 C113 C114 179.7(10) . .
C112 C113 C114 C115 2.4(16) . .
C113 C114 C115 C116 -0.4(17) . .
C112 N111 C116 C115 3.0(15) . .
Pb1 N111 C116 C115 -176.6(8) . .
C114 C115 C116 N111 -2.4(18) . .
N221 Pb1 N121 C123 80.3(7) . .
N211 Pb1 N121 C123 25.1(9) . .
N111 Pb1 N121 C123 8.1(6) . .
O14X Pb1 N121 C123 -56.9(7) . .
N221 Pb1 N121 N122 -118.7(8) . .
N211 Pb1 N121 N122 -173.9(7) . .
N111 Pb1 N121 N122 169.1(9) . .
O14X Pb1 N121 N122 104.1(9) . .
C123 N121 N122 C125 0.5(11) . .
Pb1 N121 N122 C125 -161.8(7) . .
C123 N121 N122 C126 174.1(8) . .
Pb1 N121 N122 C126 11.8(13) . .
N122 N121 C123 C124 0.6(11) . .
Pb1 N121 C123 C124 167.3(7) . .
N122 N121 C123 C112 -179.8(8) . .
Pb1 N121 C123 C112 -13.1(11) . .
N111 C112 C123 N121 11.2(14) . .
C113 C112 C123 N121 -170.3(9) . .
N111 C112 C123 C124 -169.4(11) . .
C113 C112 C123 C124 9.1(17) . .
N121 C123 C124 C125 -1.5(13) . .
C112 C123 C124 C125 179.0(10) . .
N121 N122 C125 C124 -1.4(13) . .
C126 N122 C125 C124 -174.6(10) . .
C123 C124 C125 N122 1.7(13) . .
N121 N122 C126 C256 -81.7(11) . 2
C125 N122 C126 C256 90.9(12) . 2
N221 Pb1 N211 C216 179.1(8) . .
N111 Pb1 N211 C216 -102.0(7) . .
N121 Pb1 N211 C216 -117.4(7) . .
O14X Pb1 N211 C216 -31.2(7) . .
N221 Pb1 N211 C212 4.7(6) . .
N111 Pb1 N211 C212 83.6(7) . .
N121 Pb1 N211 C212 68.2(8) . .
O14X Pb1 N211 C212 154.4(7) . .
C216 N211 C212 C213 2.3(14) . .
Pb1 N211 C212 C213 176.8(8) . .
C216 N211 C212 C223 -178.9(8) . .
Pb1 N211 C212 C223 -4.3(10) . .
N211 C212 C213 C214 -1.5(17) . .
C223 C212 C213 C214 179.7(10) . .
C212 C213 C214 C215 1.3(18) . .
C213 C214 C215 C216 -1.9(18) . .
C212 N211 C216 C215 -2.9(15) . .
Pb1 N211 C216 C215 -177.3(8) . .
C214 C215 C216 N211 2.8(17) . .
N211 Pb1 N221 C223 -4.7(7) . .
N111 Pb1 N221 C223 -91.2(7) . .
N121 Pb1 N221 C223 -152.5(7) . .
O14X Pb1 N221 C223 -51.0(9) . .
N211 Pb1 N221 N222 -178.7(8) . .
N111 Pb1 N221 N222 94.8(8) . .
N121 Pb1 N221 N222 33.5(8) . .
O14X Pb1 N221 N222 135.0(8) . .
C223 N221 N222 C225 -1.0(11) . .
Pb1 N221 N222 C225 173.5(7) . .
C223 N221 N222 C226 -174.1(8) . .
Pb1 N221 N222 C226 0.5(13) . .
N222 N221 C223 C224 0.6(11) . .
Pb1 N221 C223 C224 -174.8(6) . .
N222 N221 C223 C212 180.0(8) . .
Pb1 N221 C223 C212 4.6(11) . .
N211 C212 C223 N221 -0.1(13) . .
C213 C212 C223 N221 178.8(10) . .
N211 C212 C223 C224 179.1(10) . .
C213 C212 C223 C224 -2.0(16) . .
N221 C223 C224 C225 0.0(11) . .
C212 C223 C224 C225 -179.3(10) . .
N221 N222 C225 C224 1.0(12) . .
C226 N222 C225 C224 173.1(9) . .
C223 C224 C225 N222 -0.6(12) . .
C225 N222 C226 C252 -94.7(12) . .
N221 N222 C226 C252 76.8(11) . .
C256 N251 C252 C253 -0.4(15) . .
C256 N251 C252 C226 176.8(9) . .
N222 C226 C252 N251 -75.9(11) . .
N222 C226 C252 C253 101.4(11) . .
N251 C252 C253 C254 0.1(18) . .
C226 C252 C253 C254 -177.0(12) . .
C252 C253 C254 C255 0(2) . .
C253 C254 C255 C256 1(2) . .
C252 N251 C256 C255 0.9(16) . .
C252 N251 C256 C126 179.2(8) . 2
C254 C255 C256 N251 -1.2(19) . .
C254 C255 C256 C126 -179.3(12) . 2
O13X Cl11 O14X Pb1 32.9(12) . .
O12Y Cl11 O14X Pb1 -110.5(12) . .
O15X Cl11 O14X Pb1 153.1(9) . .
O15Y Cl11 O14X Pb1 126.0(12) . .
O14Y Cl11 O14X Pb1 155(9) . .
O13Y Cl11 O14X Pb1 6.3(15) . .
O12X Cl11 O14X Pb1 -87.0(10) . .
N221 Pb1 O14X Cl11 146.7(7) . .
N211 Pb1 O14X Cl11 104.8(9) . .
N111 Pb1 O14X Cl11 -171.4(10) . .
N121 Pb1 O14X Cl11 -111.6(9) . .
O32Y O31Y N33Y O32Y 0(5) 2_566 .
O32Y O31Y N33Y C34Y 174(3) 2_566 .
O31Y O32Y N33Y O31Y 0(7) 2_566 .
N33Y O32Y N33Y O31Y 0(3) 2_566 .
O31Y O32Y N33Y C34Y -174(5) 2_566 .
N33Y O32Y N33Y C34Y -174(4) 2_566 .
O31Y O32Y N33Y O32Y 0(4) 2_566 2_566
N33Y O32Y N33Y O32Y 0.000(3) 2_566 2_566
