#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/10/4511036.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_4511036
loop_
_publ_author_name
'Yang, Jin'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Ma, Ji-Cheng'
'Batten, Stuart R.'
_publ_section_title
;
 A Series of Lead(II) Complexes with π−π Stackings: Structural
 Diversities by Varying the Ligands
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1894
_journal_paper_doi               10.1021/cg801085d
_journal_volume                  9
_journal_year                    2009
_chemical_formula_moiety         '2(C22 H18 N4 O4 Pb), C14 H8 N4, O'
_chemical_formula_sum            'C58 H48 N12 O9 Pb2'
_chemical_formula_weight         1471.50
_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                100.12(3)
_cell_angle_beta                 90.24(3)
_cell_angle_gamma                91.79(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8647(18)
_cell_length_b                   10.648(2)
_cell_length_c                   27.091(5)
_cell_measurement_reflns_used    block
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.06
_cell_volume                     2516.0(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotorating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            23002
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.06
_diffrn_standards_interval_count none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    6.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.362
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.245
_refine_diff_density_max         0.852
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         10929
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0877P)²+7.2515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1545
_refine_ls_wR_factor_ref         0.1673
_reflns_number_gt                8551
_reflns_number_total             10929
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg801085d_si_002.cif
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2516.2(9)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               4511036
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
C1 C 0.3983(11) 0.2163(9) 0.4769(3) 0.038(2) Uani 1 1 d .
C2 C 0.5351(10) 0.2963(8) 0.4986(3) 0.0324(18) Uani 1 1 d .
H2 H 0.4978 0.3739 0.5192 0.039 Uiso 1 1 calc R
C3 C 0.6239(10) 0.2262(9) 0.5335(3) 0.0341(18) Uani 1 1 d .
H3A H 0.5580 0.2068 0.5598 0.041 Uiso 1 1 calc R
H3B H 0.6569 0.1459 0.5146 0.041 Uiso 1 1 calc R
C4 C 0.7596(11) 0.3030(9) 0.5570(3) 0.041(2) Uani 1 1 d .
H4A H 0.8168 0.2515 0.5761 0.049 Uiso 1 1 calc R
H4B H 0.7261 0.3770 0.5799 0.049 Uiso 1 1 calc R
C5 C 0.6390(11) 0.3382(9) 0.4595(3) 0.037(2) Uani 1 1 d .
H5A H 0.5830 0.3885 0.4396 0.044 Uiso 1 1 calc R
H5B H 0.6735 0.2633 0.4373 0.044 Uiso 1 1 calc R
C6 C 0.7752(11) 0.4168(8) 0.4836(4) 0.039(2) Uani 1 1 d .
H6A H 0.8418 0.4369 0.4576 0.047 Uiso 1 1 calc R
H6B H 0.7415 0.4966 0.5027 0.047 Uiso 1 1 calc R
C7 C 0.8610(11) 0.3466(9) 0.5178(3) 0.0377(19) Uani 1 1 d .
H7 H 0.9354 0.4079 0.5360 0.045 Uiso 1 1 calc R
C8 C 0.9497(9) 0.2382(9) 0.4883(3) 0.0340(18) Uani 1 1 d .
C9 C -0.0525(10) 0.2380(9) -0.0138(3) 0.0369(19) Uani 1 1 d .
C10 C -0.1416(12) 0.2977(10) -0.0513(4) 0.046(2) Uani 1 1 d .
H10 H -0.0673 0.3293 -0.0732 0.055 Uiso 1 1 calc R
C11 C -0.2245(13) 0.4125(9) -0.0259(4) 0.052(3) Uani 1 1 d .
H11A H -0.2605 0.4594 -0.0510 0.062 Uiso 1 1 calc R
H11B H -0.1556 0.4685 -0.0036 0.062 Uiso 1 1 calc R
C12 C -0.3577(11) 0.3733(8) 0.0040(4) 0.040(2) Uani 1 1 d .
H12A H -0.3212 0.3320 0.0307 0.049 Uiso 1 1 calc R
H12B H -0.4104 0.4488 0.0191 0.049 Uiso 1 1 calc R
C13 C -0.4667(10) 0.2825(9) -0.0296(3) 0.0365(19) Uani 1 1 d .
H13 H -0.5056 0.3281 -0.0552 0.044 Uiso 1 1 calc R
C14 C -0.6015(10) 0.2382(9) -0.0015(3) 0.040(2) Uani 1 1 d .
C15 C -0.3843(11) 0.1667(9) -0.0566(3) 0.040(2) Uani 1 1 d .
H15A H -0.3515 0.1164 -0.0323 0.048 Uiso 1 1 calc R
H15B H -0.4536 0.1138 -0.0799 0.048 Uiso 1 1 calc R
C16 C -0.2474(13) 0.2048(11) -0.0854(3) 0.051(3) Uani 1 1 d .
H16A H -0.1933 0.1291 -0.0993 0.061 Uiso 1 1 calc R
H16B H -0.2811 0.2444 -0.1130 0.061 Uiso 1 1 calc R
C17 C 0.2971(12) 0.3342(10) 0.1615(4) 0.047(2) Uani 1 1 d .
H17 H 0.3719 0.3450 0.1385 0.057 Uiso 1 1 calc R
C18 C 0.3304(13) 0.3742(9) 0.2123(4) 0.049(3) Uani 1 1 d .
H18 H 0.4257 0.4074 0.2229 0.059 Uiso 1 1 calc R
C19 C 0.2193(13) 0.3632(9) 0.2456(4) 0.048(3) Uani 1 1 d .
H19 H 0.2372 0.3904 0.2798 0.058 Uiso 1 1 calc R
C20 C 0.0786(11) 0.3113(8) 0.2289(3) 0.037(2) Uani 1 1 d .
C21 C 0.0563(11) 0.2719(8) 0.1774(3) 0.037(2) Uani 1 1 d .
C22 C -0.0886(11) 0.2202(8) 0.1580(3) 0.036(2) Uani 1 1 d .
C23 C -0.2385(12) 0.1344(9) 0.0898(3) 0.043(2) Uani 1 1 d .
H23 H -0.2479 0.1020 0.0557 0.051 Uiso 1 1 calc R
C24 C -0.3671(12) 0.1361(10) 0.1191(4) 0.044(2) Uani 1 1 d .
H24 H -0.4613 0.1118 0.1047 0.053 Uiso 1 1 calc R
C25 C -0.3506(11) 0.1744(9) 0.1691(4) 0.042(2) Uani 1 1 d .
H25 H -0.4342 0.1733 0.1896 0.050 Uiso 1 1 calc R
C26 C -0.2107(11) 0.2153(8) 0.1904(3) 0.0360(19) Uani 1 1 d .
C27 C -0.1887(12) 0.2520(8) 0.2439(3) 0.040(2) Uani 1 1 d .
C28 C -0.0455(12) 0.2974(8) 0.2625(3) 0.040(2) Uani 1 1 d .
C29 C -0.2755(16) 0.2742(10) 0.3232(4) 0.059(3) Uani 1 1 d .
H29 H -0.3535 0.2687 0.3456 0.070 Uiso 1 1 calc R
C30 C -0.1364(18) 0.3153(10) 0.3420(4) 0.063(4) Uani 1 1 d .
H30 H -0.1233 0.3350 0.3766 0.075 Uiso 1 1 calc R
C31 C -0.2410(11) -0.0156(9) 0.3970(3) 0.041(2) Uani 1 1 d .
H31 H -0.2491 -0.0022 0.4317 0.049 Uiso 1 1 calc R
C32 C -0.3677(11) -0.0558(10) 0.3682(4) 0.045(2) Uani 1 1 d .
H32 H -0.4596 -0.0672 0.3834 0.054 Uiso 1 1 calc R
C33 C -0.3577(10) -0.0788(9) 0.3171(4) 0.040(2) Uani 1 1 d .
H33 H -0.4423 -0.1066 0.2974 0.048 Uiso 1 1 calc R
C34 C -0.2197(10) -0.0600(7) 0.2950(3) 0.0319(18) Uani 1 1 d .
C35 C -0.0951(10) -0.0154(7) 0.3265(3) 0.0298(17) Uani 1 1 d .
C36 C 0.0488(10) 0.0111(7) 0.3050(3) 0.0286(16) Uani 1 1 d .
C37 C 0.2957(11) 0.0846(9) 0.3172(4) 0.040(2) Uani 1 1 d .
H37 H 0.3740 0.1185 0.3389 0.048 Uiso 1 1 calc R
C38 C 0.3236(12) 0.0615(10) 0.2661(4) 0.044(2) Uani 1 1 d .
H38 H 0.4183 0.0791 0.2538 0.053 Uiso 1 1 calc R
C39 C 0.2078(12) 0.0118(9) 0.2341(3) 0.041(2) Uani 1 1 d .
H39 H 0.2242 -0.0055 0.1997 0.050 Uiso 1 1 calc R
C40 C 0.0652(11) -0.0128(8) 0.2528(3) 0.0342(19) Uani 1 1 d .
C41 C -0.0588(11) -0.0618(8) 0.2202(3) 0.0354(19) Uani 1 1 d .
C42 C -0.2000(12) -0.0850(8) 0.2411(3) 0.040(2) Uani 1 1 d .
C43 C -0.2955(16) -0.1530(10) 0.1629(4) 0.059(3) Uani 1 1 d .
H43 H -0.3747 -0.1859 0.1414 0.071 Uiso 1 1 calc R
C44 C -0.1579(15) -0.1286(10) 0.1419(4) 0.054(3) Uani 1 1 d .
H44 H -0.1486 -0.1440 0.1072 0.065 Uiso 1 1 calc R
C45 C 0.2914(13) -0.2969(11) 0.2493(5) 0.057(3) Uani 1 1 d .
H45 H 0.3874 -0.2821 0.2374 0.068 Uiso 1 1 calc R
C46 C 0.2647(13) -0.2721(11) 0.3008(5) 0.056(3) Uani 1 1 d .
H46 H 0.3450 -0.2413 0.3222 0.068 Uiso 1 1 calc R
C47 C -0.0568(13) -0.4433(9) 0.1515(4) 0.046(2) Uani 1 1 d .
H47 H 0.0384 -0.4324 0.1382 0.055 Uiso 1 1 calc R
C48 C 0.0202(12) -0.3357(8) 0.2879(3) 0.039(2) Uani 1 1 d .
C49 C 0.0439(10) -0.3610(8) 0.2365(3) 0.0345(19) Uani 1 1 d .
C50 C -0.0771(12) -0.4124(8) 0.2020(3) 0.042(2) Uani 1 1 d .
C51 C -0.2212(12) -0.4333(8) 0.2205(3) 0.038(2) Uani 1 1 d .
C52 C -0.1544(14) -0.3406(10) 0.3592(4) 0.052(3) Uani 1 1 d .
H52 H -0.0780 -0.3074 0.3818 0.062 Uiso 1 1 calc R
C53 C -0.3117(15) -0.5031(10) 0.1409(4) 0.057(3) Uani 1 1 d .
H53 H -0.3915 -0.5333 0.1192 0.068 Uiso 1 1 calc R
C54 C -0.1733(16) -0.4898(10) 0.1203(4) 0.057(3) Uani 1 1 d .
H54 H -0.1592 -0.5120 0.0859 0.069 Uiso 1 1 calc R
C55 C -0.2477(11) -0.4093(8) 0.2752(3) 0.0358(19) Uani 1 1 d .
C56 C -0.1280(11) -0.3613(8) 0.3077(3) 0.0355(19) Uani 1 1 d .
C57 C -0.4062(14) -0.4168(11) 0.3412(4) 0.055(3) Uani 1 1 d .
H57 H -0.5014 -0.4355 0.3529 0.066 Uiso 1 1 calc R
C58 C -0.2947(16) -0.3700(11) 0.3760(4) 0.059(3) Uani 1 1 d .
H58 H -0.3144 -0.3586 0.4101 0.071 Uiso 1 1 calc R
N1 N 0.1654(10) 0.2816(7) 0.1438(3) 0.0406(18) Uani 1 1 d .
N2 N -0.1039(9) 0.1759(7) 0.1077(3) 0.0345(16) Uani 1 1 d .
N3 N -0.0178(12) 0.3285(8) 0.3127(3) 0.052(2) Uani 1 1 d .
N4 N -0.3057(11) 0.2416(8) 0.2745(3) 0.052(2) Uani 1 1 d .
N5 N 0.1601(8) 0.0603(7) 0.3369(3) 0.0329(15) Uani 1 1 d .
N6 N -0.1086(9) 0.0045(7) 0.3772(3) 0.0339(16) Uani 1 1 d .
N7 N -0.0383(12) -0.0833(8) 0.1704(3) 0.052(2) Uani 1 1 d .
N8 N -0.3217(11) -0.1323(8) 0.2118(3) 0.050(2) Uani 1 1 d .
N9 N 0.1330(10) -0.2896(8) 0.3207(3) 0.049(2) Uani 1 1 d .
N10 N 0.1803(10) -0.3418(8) 0.2172(3) 0.048(2) Uani 1 1 d .
N11 N -0.3420(11) -0.4757(8) 0.1903(3) 0.049(2) Uani 1 1 d .
N12 N -0.3843(10) -0.4365(8) 0.2916(3) 0.0454(19) Uani 1 1 d .
O1 O 0.3727(8) 0.1973(7) 0.4301(2) 0.0493(17) Uani 1 1 d .
O2 O 0.3126(9) 0.1702(9) 0.5063(3) 0.061(2) Uani 1 1 d .
O1W O 0.2880(14) 0.3901(9) 0.3742(3) 0.088(3) Uani 1 1 d .
O3 O -0.6157(9) 0.2797(7) 0.0440(3) 0.0524(18) Uani 1 1 d .
O4 O -0.6946(8) 0.1624(8) -0.0266(3) 0.060(2) Uani 1 1 d .
O5 O 0.0184(8) 0.3081(6) 0.0213(2) 0.0441(15) Uani 1 1 d .
O6 O -0.0487(8) 0.1182(6) -0.0194(3) 0.0481(17) Uani 1 1 d .
O7 O 1.0212(7) 0.2554(6) 0.4499(2) 0.0400(14) Uani 1 1 d .
O8 O 0.9539(8) 0.1319(7) 0.5021(3) 0.0508(18) Uani 1 1 d .
Pb1 Pb 0.14624(4) 0.14343(3) 0.050245(12) 0.03573(11) Uani 1 1 d .
Pb2 Pb 0.14091(4) 0.05349(3) 0.437004(11) 0.03366(11) 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 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3940 10.1110 '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
O2 C1 O1 121.5(9) . .
O2 C1 C2 118.3(8) . .
O1 C1 C2 120.2(8) . .
O2 C1 Pb2 60.4(5) . .
O1 C1 Pb2 61.2(5) . .
C2 C1 Pb2 177.4(6) . .
C1 C2 C5 114.2(7) . .
C1 C2 C3 110.5(7) . .
C5 C2 C3 110.3(7) . .
C1 C2 H2 107.1 . .
C5 C2 H2 107.1 . .
C3 C2 H2 107.1 . .
C4 C3 C2 112.6(7) . .
C4 C3 H3A 109.1 . .
C2 C3 H3A 109.1 . .
C4 C3 H3B 109.1 . .
C2 C3 H3B 109.1 . .
H3A C3 H3B 107.8 . .
C3 C4 C7 111.8(7) . .
C3 C4 H4A 109.2 . .
C7 C4 H4A 109.2 . .
C3 C4 H4B 109.2 . .
C7 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
C2 C5 C6 111.8(7) . .
C2 C5 H5A 109.3 . .
C6 C5 H5A 109.3 . .
C2 C5 H5B 109.3 . .
C6 C5 H5B 109.3 . .
H5A C5 H5B 107.9 . .
C7 C6 C5 111.7(7) . .
C7 C6 H6A 109.3 . .
C5 C6 H6A 109.3 . .
C7 C6 H6B 109.3 . .
C5 C6 H6B 109.3 . .
H6A C6 H6B 107.9 . .
C6 C7 C4 111.8(8) . .
C6 C7 C8 111.8(7) . .
C4 C7 C8 112.7(8) . .
C6 C7 H7 106.7 . .
C4 C7 H7 106.7 . .
C8 C7 H7 106.7 . .
O8 C8 O7 119.3(8) . .
O8 C8 C7 120.9(8) . .
O7 C8 C7 119.8(8) . .
O8 C8 Pb2 61.6(5) . 1_655
O7 C8 Pb2 57.9(5) . 1_655
C7 C8 Pb2 174.0(6) . 1_655
O5 C9 O6 121.1(8) . .
O5 C9 C10 119.9(8) . .
O6 C9 C10 119.0(9) . .
O5 C9 Pb1 56.9(4) . .
O6 C9 Pb1 64.5(5) . .
C10 C9 Pb1 172.3(6) . .
C11 C10 C9 111.6(8) . .
C11 C10 C16 111.0(9) . .
C9 C10 C16 114.6(8) . .
C11 C10 H10 106.3 . .
C9 C10 H10 106.3 . .
C16 C10 H10 106.3 . .
C10 C11 C12 111.3(8) . .
C10 C11 H11A 109.4 . .
C12 C11 H11A 109.4 . .
C10 C11 H11B 109.4 . .
C12 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C13 C12 C11 110.9(8) . .
C13 C12 H12A 109.5 . .
C11 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 108.0 . .
C12 C13 C14 113.3(8) . .
C12 C13 C15 110.5(8) . .
C14 C13 C15 109.7(8) . .
C12 C13 H13 107.7 . .
C14 C13 H13 107.7 . .
C15 C13 H13 107.7 . .
O3 C14 O4 123.3(10) . .
O3 C14 C13 119.9(9) . .
O4 C14 C13 116.8(8) . .
O3 C14 Pb1 61.5(5) . 1_455
O4 C14 Pb1 61.8(5) . 1_455
C13 C14 Pb1 177.6(6) . 1_455
C16 C15 C13 112.2(8) . .
C16 C15 H15A 109.2 . .
C13 C15 H15A 109.2 . .
C16 C15 H15B 109.2 . .
C13 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C10 C16 C15 111.1(8) . .
C10 C16 H16A 109.4 . .
C15 C16 H16A 109.4 . .
C10 C16 H16B 109.4 . .
C15 C16 H16B 109.4 . .
H16A C16 H16B 108.0 . .
N1 C17 C18 124.2(10) . .
N1 C17 H17 117.9 . .
C18 C17 H17 117.9 . .
C19 C18 C17 117.8(10) . .
C19 C18 H18 121.1 . .
C17 C18 H18 121.1 . .
C18 C19 C20 120.0(9) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C21 118.2(9) . .
C19 C20 C28 122.8(9) . .
C21 C20 C28 119.0(9) . .
N1 C21 C20 122.6(9) . .
N1 C21 C22 116.9(8) . .
C20 C21 C22 120.4(9) . .
N2 C22 C26 121.0(9) . .
N2 C22 C21 118.8(8) . .
C26 C22 C21 120.2(8) . .
N2 C23 C24 123.8(9) . .
N2 C23 H23 118.1 . .
C24 C23 H23 118.1 . .
C25 C24 C23 117.7(9) . .
C25 C24 H24 121.1 . .
C23 C24 H24 121.1 . .
C24 C25 C26 121.1(9) . .
C24 C25 H25 119.4 . .
C26 C25 H25 119.4 . .
C25 C26 C22 117.7(8) . .
C25 C26 C27 122.3(9) . .
C22 C26 C27 120.0(9) . .
N4 C27 C28 121.7(9) . .
N4 C27 C26 119.2(10) . .
C28 C27 C26 119.1(8) . .
N3 C28 C27 121.2(9) . .
N3 C28 C20 117.8(10) . .
C27 C28 C20 121.0(8) . .
N4 C29 C30 123.6(11) . .
N4 C29 H29 118.2 . .
C30 C29 H29 118.2 . .
N3 C30 C29 122.6(10) . .
N3 C30 H30 118.7 . .
C29 C30 H30 118.7 . .
N6 C31 C32 122.5(9) . .
N6 C31 H31 118.7 . .
C32 C31 H31 118.7 . .
C33 C32 C31 119.8(9) . .
C33 C32 H32 120.1 . .
C31 C32 H32 120.1 . .
C32 C33 C34 119.3(9) . .
C32 C33 H33 120.4 . .
C34 C33 H33 120.4 . .
C33 C34 C35 118.3(8) . .
C33 C34 C42 122.3(8) . .
C35 C34 C42 119.4(8) . .
N6 C35 C34 120.8(8) . .
N6 C35 C36 119.2(8) . .
C34 C35 C36 120.0(7) . .
N5 C36 C40 123.4(8) . .
N5 C36 C35 117.0(7) . .
C40 C36 C35 119.6(8) . .
N5 C37 C38 123.2(9) . .
N5 C37 H37 118.4 . .
C38 C37 H37 118.4 . .
C39 C38 C37 118.3(9) . .
C39 C38 H38 120.9 . .
C37 C38 H38 120.9 . .
C38 C39 C40 120.5(8) . .
C38 C39 H39 119.8 . .
C40 C39 H39 119.8 . .
C39 C40 C36 117.1(8) . .
C39 C40 C41 121.7(8) . .
C36 C40 C41 121.2(9) . .
N7 C41 C42 121.4(9) . .
N7 C41 C40 119.3(9) . .
C42 C41 C40 119.2(8) . .
N8 C42 C41 121.7(8) . .
N8 C42 C34 117.9(9) . .
C41 C42 C34 120.4(8) . .
N8 C43 C44 124.1(11) . .
N8 C43 H43 117.9 . .
C44 C43 H43 117.9 . .
N7 C44 C43 121.4(9) . .
N7 C44 H44 119.3 . .
C43 C44 H44 119.3 . .
N10 C45 C46 120.3(11) . .
N10 C45 H45 119.8 . .
C46 C45 H45 119.8 . .
N9 C46 C45 123.8(10) . .
N9 C46 H46 118.1 . .
C45 C46 H46 118.1 . .
C54 C47 C50 121.0(11) . .
C54 C47 H47 119.5 . .
C50 C47 H47 119.5 . .
N9 C48 C49 121.6(10) . .
N9 C48 C56 118.5(9) . .
C49 C48 C56 119.9(8) . .
N10 C49 C48 121.3(9) . .
N10 C49 C50 117.7(9) . .
C48 C49 C50 120.9(9) . .
C47 C50 C51 117.7(9) . .
C47 C50 C49 122.7(10) . .
C51 C50 C49 119.6(8) . .
N11 C51 C50 123.0(9) . .
N11 C51 C55 116.9(9) . .
C50 C51 C55 120.1(8) . .
C58 C52 C56 119.0(10) . .
C58 C52 H52 120.5 . .
C56 C52 H52 120.5 . .
N11 C53 C54 125.1(10) . .
N11 C53 H53 117.4 . .
C54 C53 H53 117.4 . .
C47 C54 C53 118.0(10) . .
C47 C54 H54 121.0 . .
C53 C54 H54 121.0 . .
N12 C55 C56 122.5(8) . .
N12 C55 C51 118.5(9) . .
C56 C55 C51 119.0(9) . .
C52 C56 C55 118.2(10) . .
C52 C56 C48 121.3(9) . .
C55 C56 C48 120.4(8) . .
N12 C57 C58 123.3(11) . .
N12 C57 H57 118.3 . .
C58 C57 H57 118.3 . .
C52 C58 C57 118.8(10) . .
C52 C58 H58 120.6 . .
C57 C58 H58 120.6 . .
C17 N1 C21 117.1(8) . .
C17 N1 Pb1 120.0(6) . .
C21 N1 Pb1 120.8(6) . .
C23 N2 C22 118.4(8) . .
C23 N2 Pb1 121.7(6) . .
C22 N2 Pb1 119.3(6) . .
C30 N3 C28 115.3(11) . .
C29 N4 C27 115.6(11) . .
C36 N5 C37 117.5(7) . .
C36 N5 Pb2 121.2(5) . .
C37 N5 Pb2 119.4(6) . .
C31 N6 C35 119.3(8) . .
C31 N6 Pb2 119.9(6) . .
C35 N6 Pb2 120.2(6) . .
C44 N7 C41 116.6(10) . .
C43 N8 C42 114.6(10) . .
C46 N9 C48 115.7(10) . .
C45 N10 C49 117.2(10) . .
C53 N11 C51 115.1(10) . .
C55 N12 C57 118.0(9) . .
C1 O1 Pb2 93.0(6) . .
C1 O2 Pb2 94.2(6) . .
C14 O3 Pb1 93.1(6) . 1_455
C14 O4 Pb1 92.7(6) . 1_455
C9 O5 Pb1 96.7(5) . .
C9 O6 Pb1 88.8(5) . .
C9 O6 Pb1 158.3(6) . 2
Pb1 O6 Pb1 111.7(2) . 2
C8 O7 Pb2 95.7(5) . 1_655
C8 O8 Pb2 92.0(5) . 1_655
C8 O8 Pb2 153.6(6) . 2_656
Pb2 O8 Pb2 114.4(2) 1_655 2_656
O5 Pb1 O6 53.1(2) . .
O5 Pb1 O3 85.4(2) . 1_655
O6 Pb1 O3 119.1(2) . 1_655
O5 Pb1 O4 80.7(3) . 1_655
O6 Pb1 O4 77.3(2) . 1_655
O3 Pb1 O4 50.9(2) 1_655 1_655
O5 Pb1 N1 91.1(2) . .
O6 Pb1 N1 134.3(2) . .
O3 Pb1 N1 78.8(2) 1_655 .
O4 Pb1 N1 129.4(2) 1_655 .
O5 Pb1 N2 75.5(2) . .
O6 Pb1 N2 81.7(2) . .
O3 Pb1 N2 133.7(2) 1_655 .
O4 Pb1 N2 154.7(2) 1_655 .
N1 Pb1 N2 60.2(2) . .
O5 Pb1 C9 26.4(2) . .
O6 Pb1 C9 26.7(2) . .
O3 Pb1 C9 101.8(3) 1_655 .
O4 Pb1 C9 76.0(3) 1_655 .
N1 Pb1 C9 114.4(3) . .
N2 Pb1 C9 78.8(2) . .
O5 Pb1 O6 120.5(2) . 2
O6 Pb1 O6 68.3(2) . 2
O3 Pb1 O6 137.2(2) 1_655 2
O4 Pb1 O6 97.1(2) 1_655 2
N1 Pb1 O6 128.7(2) . 2
N2 Pb1 O6 87.9(2) . 2
C9 Pb1 O6 94.8(2) . 2
O5 Pb1 C14 83.1(2) . 1_655
O6 Pb1 C14 99.0(2) . 1_655
O3 Pb1 C14 25.4(2) 1_655 1_655
O4 Pb1 C14 25.5(2) 1_655 1_655
N1 Pb1 C14 104.1(3) . 1_655
N2 Pb1 C14 152.7(2) . 1_655
C9 Pb1 C14 89.6(3) . 1_655
O6 Pb1 C14 117.9(2) 2 1_655
O7 Pb2 O8 52.8(2) 1_455 1_455
O7 Pb2 O2 81.8(3) 1_455 .
O8 Pb2 O2 79.1(3) 1_455 .
O7 Pb2 O1 81.2(2) 1_455 .
O8 Pb2 O1 117.2(3) 1_455 .
O2 Pb2 O1 51.2(2) . .
O7 Pb2 N6 77.3(2) 1_455 .
O8 Pb2 N6 83.1(2) 1_455 .
O2 Pb2 N6 158.1(3) . .
O1 Pb2 N6 130.1(2) . .
O7 Pb2 N5 89.8(2) 1_455 .
O8 Pb2 N5 133.4(2) 1_455 .
O2 Pb2 N5 127.0(2) . .
O1 Pb2 N5 75.8(2) . .
N6 Pb2 N5 59.8(2) . .
O7 Pb2 C8 26.4(2) 1_455 1_455
O8 Pb2 C8 26.4(2) 1_455 1_455
O2 Pb2 C8 77.9(3) . 1_455
O1 Pb2 C8 98.8(3) . 1_455
N6 Pb2 C8 80.5(2) . 1_455
N5 Pb2 C8 113.1(2) . 1_455
O7 Pb2 O8 118.2(2) 1_455 2_656
O8 Pb2 O8 65.6(2) 1_455 2_656
O2 Pb2 O8 91.8(2) . 2_656
O1 Pb2 O8 137.2(2) . 2_656
N6 Pb2 O8 92.4(2) . 2_656
N5 Pb2 O8 136.3(2) . 2_656
C8 Pb2 O8 92.0(2) 1_455 2_656
O7 Pb2 C1 81.1(2) 1_455 .
O8 Pb2 C1 98.8(3) 1_455 .
O2 Pb2 C1 25.5(2) . .
O1 Pb2 C1 25.8(2) . .
N6 Pb2 C1 151.2(2) . .
N5 Pb2 C1 101.6(2) . .
C8 Pb2 C1 88.7(3) 1_455 .
O8 Pb2 C1 114.7(2) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.254(11) .
C1 O1 1.266(11) .
C1 C2 1.515(13) .
C1 Pb2 2.907(10) .
C2 C5 1.522(12) .
C2 C3 1.533(11) .
C2 H2 0.9800 .
C3 C4 1.506(13) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C7 1.519(13) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.525(13) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.505(12) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.525(12) .
C7 H7 0.9800 .
C8 O8 1.255(11) .
C8 O7 1.260(10) .
C8 Pb2 2.818(9) 1_655
C9 O5 1.255(11) .
C9 O6 1.259(11) .
C9 C10 1.519(12) .
C9 Pb1 2.799(9) .
C10 C11 1.508(15) .
C10 C16 1.525(15) .
C10 H10 0.9800 .
C11 C12 1.523(15) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.524(12) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.526(13) .
C13 C15 1.528(12) .
C13 H13 0.9800 .
C14 O3 1.242(11) .
C14 O4 1.247(12) .
C14 Pb1 2.893(10) 1_455
C15 C16 1.527(14) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 N1 1.329(13) .
C17 C18 1.395(14) .
C17 H17 0.9300 .
C18 C19 1.356(16) .
C18 H18 0.9300 .
C19 C20 1.390(14) .
C19 H19 0.9300 .
C20 C21 1.394(12) .
C20 C28 1.452(13) .
C21 N1 1.346(12) .
C21 C22 1.442(13) .
C22 N2 1.366(11) .
C22 C26 1.401(13) .
C23 N2 1.318(12) .
C23 C24 1.390(14) .
C23 H23 0.9300 .
C24 C25 1.350(14) .
C24 H24 0.9300 .
C25 C26 1.390(14) .
C25 H25 0.9300 .
C26 C27 1.444(12) .
C27 N4 1.346(12) .
C27 C28 1.404(14) .
C28 N3 1.360(11) .
C29 N4 1.326(14) .
C29 C30 1.361(18) .
C29 H29 0.9300 .
C30 N3 1.340(16) .
C30 H30 0.9300 .
C31 N6 1.320(11) .
C31 C32 1.378(14) .
C31 H31 0.9300 .
C32 C33 1.366(14) .
C32 H32 0.9300 .
C33 C34 1.387(13) .
C33 H33 0.9300 .
C34 C35 1.411(12) .
C34 C42 1.452(12) .
C35 N6 1.358(10) .
C35 C36 1.445(12) .
C36 N5 1.341(11) .
C36 C40 1.401(11) .
C37 N5 1.354(12) .
C37 C38 1.387(13) .
C37 H37 0.9300 .
C38 C39 1.372(15) .
C38 H38 0.9300 .
C39 C40 1.398(13) .
C39 H39 0.9300 .
C40 C41 1.434(13) .
C41 N7 1.340(11) .
C41 C42 1.409(14) .
C42 N8 1.366(12) .
C43 N8 1.326(14) .
C43 C44 1.384(17) .
C43 H43 0.9300 .
C44 N7 1.336(15) .
C44 H44 0.9300 .
C45 N10 1.332(14) .
C45 C46 1.395(17) .
C45 H45 0.9300 .
C46 N9 1.310(14) .
C46 H46 0.9300 .
C47 C54 1.356(15) .
C47 C50 1.365(13) .
C47 H47 0.9300 .
C48 N9 1.355(12) .
C48 C49 1.390(13) .
C48 C56 1.457(14) .
C49 N10 1.343(12) .
C49 C50 1.449(13) .
C50 C51 1.400(14) .
C51 N11 1.362(12) .
C51 C55 1.479(12) .
C52 C58 1.372(17) .
C52 C56 1.395(13) .
C52 H52 0.9300 .
C53 N11 1.349(14) .
C53 C54 1.364(17) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C55 N12 1.332(12) .
C55 C56 1.402(13) .
C57 N12 1.340(14) .
C57 C58 1.381(17) .
C57 H57 0.9300 .
C58 H58 0.9300 .
N1 Pb1 2.700(8) .
N2 Pb1 2.710(8) .
N5 Pb2 2.731(7) .
N6 Pb2 2.718(8) .
O1 Pb2 2.551(7) .
O2 Pb2 2.534(8) .
O3 Pb1 2.547(8) 1_455
O4 Pb1 2.554(7) 1_455
O5 Pb1 2.360(7) .
O6 Pb1 2.526(7) .
O6 Pb1 2.869(7) 2
O7 Pb2 2.399(6) 1_655
O8 Pb2 2.481(7) 1_655
O8 Pb2 2.893(6) 2_656
Pb1 O3 2.547(8) 1_655
Pb1 O4 2.554(7) 1_655
Pb1 O6 2.869(7) 2
Pb1 C14 2.893(10) 1_655
Pb2 O7 2.399(6) 1_455
Pb2 O8 2.481(7) 1_455
Pb2 C8 2.818(9) 1_455
Pb2 O8 2.893(7) 2_656
