#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/33/2223378.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2223378
loop_
_publ_author_name
'Ahmadi, Roya'
'Kalateh, Khadijeh'
'Alizadeh, Robabeh'
'Khoshtarkib, Zeinab'
'Amani, Vahid'
_publ_section_title
Tetrakis(6-methyl-2,2'-bipyridine)-1κ²N,N';2κ²N,N';3κ²N,N';4κ²N,N'-tetra-μ-nitrato-1:2κ²O:O';2:3κ³O:O',O'';2:3κ³O,O':O'';3:4κ²O:O'-tetranitrato-1κ⁴O,O';4κ²O,O'-tetralead(II)
_journal_coeditor_code           HB5028
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1169
_journal_page_last               m1170
_journal_paper_doi               10.1107/S160053680903459X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pb4 (N O3)8 (C11 H10 N2)4]'
_chemical_formula_moiety         'C22 H20 N8 O12 Pb2'
_chemical_formula_sum            'C22 H20 N8 O12 Pb2'
_chemical_formula_weight         1002.84
_chemical_name_systematic
;
Tetrakis(6-methyl-2,2'-bipyridine)-1κ²N,N';
2κ²N,N';3κ²N,N';4κ²N,N'-
tetra-μ-nitrato-1:2κ²O:O';2:3κ³O:
O',O'';2:3κ³O,O':O'';
3:4κ²O:O'-tetranitrato-
1κ⁴O,O';4κ²O,O'-tetralead(II)
;
_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                109.25(3)
_cell_angle_beta                 95.43(3)
_cell_angle_gamma                105.62(3)
_cell_formula_units_Z            2
_cell_length_a                   11.093(2)
_cell_length_b                   11.266(2)
_cell_length_c                   12.642(3)
_cell_measurement_reflns_used    1311
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.24
_cell_measurement_theta_min      1.74
_cell_volume                     1407.0(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16752
_diffrn_reflns_theta_full        29.24
_diffrn_reflns_theta_max         29.24
_diffrn_reflns_theta_min         1.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.027
_exptl_absorpt_correction_T_max  0.052
_exptl_absorpt_correction_T_min  0.021
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
shape of crystal determined optically (program? reference?)
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.181
_refine_diff_density_min         -2.372
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         7561
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0636P)²+3.7094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1368
_reflns_number_gt                6277
_reflns_number_total             7561
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb5028.cif
_cod_data_source_block           I
_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 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' 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 

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 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Numerical'
changed to 'numerical' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2223378
_cod_database_fobs_code          2223378
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.9335(12) 0.7297(9) 0.8235(9) 0.062(3) Uani d . 1 . .
H H1A 0.9208 0.6913 0.7416 0.074 Uiso calc R 1 . .
H H1B 1.0234 0.7629 0.8558 0.074 Uiso calc R 1 . .
H H1C 0.8983 0.8013 0.8446 0.074 Uiso calc R 1 . .
C C2 0.8691(9) 0.6277(9) 0.8670(7) 0.0478(18) Uani d . 1 . .
C C3 0.7749(12) 0.6393(12) 0.9294(9) 0.066(3) Uani d . 1 . .
H H3 0.7515 0.7159 0.9485 0.079 Uiso calc R 1 . .
C C4 0.7160(12) 0.5403(12) 0.9634(10) 0.067(3) Uani d . 1 . .
H H4 0.6503 0.5476 1.0032 0.080 Uiso calc R 1 . .
C C5 0.7530(10) 0.4297(10) 0.9393(8) 0.053(2) Uani d . 1 . .
H H5 0.7142 0.3619 0.9636 0.063 Uiso calc R 1 . .
C C6 0.8491(8) 0.4204(8) 0.8785(7) 0.0412(15) Uani d . 1 . .
C C7 0.8970(8) 0.3056(8) 0.8500(7) 0.0424(16) Uani d . 1 . .
C C8 0.8691(9) 0.2158(9) 0.9059(9) 0.052(2) Uani d . 1 . .
H H8 0.8187 0.2264 0.9609 0.063 Uiso calc R 1 . .
C C9 0.9175(12) 0.1117(9) 0.8781(10) 0.062(3) Uani d . 1 . .
H H9 0.8987 0.0501 0.9132 0.074 Uiso calc R 1 . .
C C10 0.9918(11) 0.0992(10) 0.8002(10) 0.060(2) Uani d . 1 . .
H H10 1.0288 0.0319 0.7834 0.072 Uiso calc R 1 . .
C C11 1.0127(10) 0.1894(9) 0.7449(9) 0.053(2) Uani d . 1 . .
H H11 1.0577 0.1762 0.6859 0.063 Uiso calc R 1 . .
C C12 0.3946(11) 0.3441(9) 0.3475(10) 0.062(3) Uani d . 1 . .
H H12A 0.3814 0.3192 0.2659 0.075 Uiso calc R 1 . .
H H12B 0.4834 0.3913 0.3805 0.075 Uiso calc R 1 . .
H H12C 0.3446 0.4000 0.3778 0.075 Uiso calc R 1 . .
C C13 0.3544(9) 0.2208(9) 0.3761(8) 0.0505(19) Uani d . 1 . .
C C14 0.2605(10) 0.2030(13) 0.4403(10) 0.068(3) Uani d . 1 . .
H H14 0.2193 0.2660 0.4646 0.081 Uiso calc R 1 . .
C C15 0.2295(11) 0.0929(14) 0.4671(10) 0.075(3) Uani d . 1 . .
H H15 0.1664 0.0798 0.5094 0.091 Uiso calc R 1 . .
C C16 0.2915(9) 0.0006(12) 0.4318(9) 0.062(3) Uani d . 1 . .
H H16 0.2723 -0.0745 0.4507 0.074 Uiso calc R 1 . .
C C17 0.3841(7) 0.0227(8) 0.3667(7) 0.0425(16) Uani d . 1 . .
C C18 0.4550(8) -0.0716(8) 0.3243(7) 0.0442(17) Uani d . 1 . .
C C19 0.4256(11) -0.1938(10) 0.3387(9) 0.063(3) Uani d . 1 . .
H H19 0.3604 -0.2185 0.3759 0.076 Uiso calc R 1 . .
C C20 0.4965(13) -0.2769(10) 0.2960(11) 0.072(3) Uani d . 1 . .
H H20 0.4774 -0.3589 0.3036 0.087 Uiso calc R 1 . .
C C21 0.5926(12) -0.2405(10) 0.2438(11) 0.067(3) Uani d . 1 . .
H H21 0.6405 -0.2959 0.2160 0.081 Uiso calc R 1 . .
C C22 0.6182(10) -0.1186(10) 0.2325(10) 0.059(2) Uani d . 1 . .
H H22 0.6836 -0.0931 0.1956 0.071 Uiso calc R 1 . .
N N1 0.9053(7) 0.5176(7) 0.8420(6) 0.0411(13) Uani d . 1 . .
N N2 0.9713(8) 0.2921(7) 0.7728(6) 0.0477(16) Uani d . 1 . .
N N3 1.2895(7) 0.5378(9) 0.7956(8) 0.057(2) Uani d . 1 . .
N N4 0.9322(8) 0.2233(8) 0.4204(7) 0.0519(17) Uani d . 1 . .
N N5 0.7285(7) 0.3733(8) 0.4898(6) 0.0469(15) Uani d . 1 . .
N N6 0.4148(6) 0.1316(7) 0.3391(6) 0.0410(13) Uani d . 1 . .
N N7 0.5523(7) -0.0368(7) 0.2727(6) 0.0443(14) Uani d . 1 . .
N N8 0.3510(8) 0.0199(8) 0.0272(7) 0.0505(16) Uani d . 1 . .
O O1 1.2315(7) 0.4180(7) 0.7307(8) 0.071(2) Uani d . 1 . .
O O2 1.2252(7) 0.6164(7) 0.8206(7) 0.0591(16) Uani d . 1 . .
O O3 1.4048(7) 0.5766(10) 0.8320(9) 0.083(3) Uani d . 1 . .
O O4 0.9642(9) 0.3404(8) 0.4264(7) 0.068(2) Uani d . 1 . .
O O5 0.9608(9) 0.2066(8) 0.5144(8) 0.076(2) Uani d . 1 . .
O O6 0.8789(12) 0.1308(10) 0.3342(9) 0.110(4) Uani d . 1 . .
O O7 0.7188(10) 0.4369(9) 0.4276(8) 0.082(3) Uani d . 1 . .
O O8 0.7761(7) 0.4279(7) 0.5941(6) 0.0578(16) Uani d . 1 . .
O O9 0.6873(7) 0.2468(7) 0.4469(6) 0.0612(17) Uani d . 1 . .
O O10 0.3682(10) 0.1365(8) 0.0852(8) 0.077(3) Uani d . 1 . .
O O11 0.4108(7) -0.0399(7) 0.0670(7) 0.0614(17) Uani d . 1 . .
O O12 0.2747(8) -0.0373(8) -0.0665(7) 0.070(2) Uani d . 1 . .
Pb Pb1 1.02005(3) 0.45241(3) 0.67017(2) 0.04043(9) Uani d . 1 . .
Pb Pb2 0.58525(3) 0.16179(3) 0.22876(3) 0.04202(10) Uani d . 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Pb1 O2 . . . 49.6(3) n
O1 Pb1 O4 . . . 105.4(3) n
O1 Pb1 O5 . . . 84.7(3) n
O1 Pb1 O8 . . . 166.8(3) n
O1 Pb1 N1 . . . 111.9(3) n
O1 Pb1 N2 . . . 73.1(3) n
O2 Pb1 O4 . . . 133.0(3) n
O2 Pb1 O5 . . . 134.1(3) n
O2 Pb1 O8 . . . 141.9(2) n
O2 Pb1 N1 . . . 83.7(2) n
O2 Pb1 N2 . . . 94.9(3) n
O4 Pb1 O5 . . . 45.5(3) n
O4 Pb1 O8 . . . 71.0(3) n
O4 Pb1 N1 . . . 140.2(3) n
O4 Pb1 N2 . . . 116.8(3) n
O5 Pb1 O8 . . . 84.0(3) n
O5 Pb1 N1 . . . 124.2(3) n
O5 Pb1 N2 . . . 72.2(3) n
O8 Pb1 N1 . . . 69.5(2) n
O8 Pb1 N2 . . . 96.9(3) n
N1 Pb1 N2 . . . 63.9(3) n
O9 Pb2 O10 . . . 141.1(3) n
O9 Pb2 O11 . . . 141.2(3) n
O9 Pb2 N6 . . . 70.3(2) n
O9 Pb2 N7 . . . 75.0(2) n
O9 Pb2 O12 . . 2_655 117.1(2) n
O10 Pb2 O11 . . . 46.0(3) n
O10 Pb2 N6 . . . 75.8(3) n
O10 Pb2 N7 . . . 109.1(3) n
O10 Pb2 O12 . . 2_655 101.8(3) n
O11 Pb2 N6 . . . 81.6(2) n
O11 Pb2 N7 . . . 69.7(3) n
O11 Pb2 O12 . . 2_655 74.6(3) n
N6 Pb2 N7 . . . 67.5(3) n
O12 Pb2 N6 2_655 . . 147.3(3) n
O12 Pb2 N7 2_655 . . 83.3(3) n
Pb1 O1 N3 . . . 96.4(6) no
Pb1 O2 N3 . . . 94.6(6) no
Pb1 O4 N4 . . . 94.8(6) no
Pb1 O4 Pb1 . . 2_766 110.9(3) no
Pb1 O4 N4 2_766 . . 153.4(7) no
Pb1 O5 N4 . . . 102.2(6) no
Pb1 O8 N5 . . . 120.0(6) no
Pb2 O9 N5 . . . 110.7(5) no
Pb2 O10 N8 . . . 94.1(7) no
Pb2 O11 N8 . . . 100.3(6) no
Pb2 O12 N8 2_655 . . 106.0(7) no
Pb1 N1 C2 . . . 119.9(6) no
Pb1 N1 C6 . . . 116.9(6) no
C2 N1 C6 . . . 119.9(8) no
Pb1 N2 C7 . . . 120.8(6) no
Pb1 N2 C11 . . . 119.8(7) no
C7 N2 C11 . . . 119.2(9) no
O1 N3 O2 . . . 118.2(8) no
O1 N3 O3 . . . 121.0(10) no
O2 N3 O3 . . . 120.7(10) no
O4 N4 O5 . . . 115.7(9) no
O4 N4 O6 . . . 123.4(10) no
O5 N4 O6 . . . 120.9(10) no
O7 N5 O8 . . . 122.7(9) no
O7 N5 O9 . . . 119.5(8) no
O8 N5 O9 . . . 117.8(8) no
Pb2 N6 C13 . . . 122.8(6) no
Pb2 N6 C17 . . . 118.7(5) no
C13 N6 C17 . . . 118.4(8) no
Pb2 N7 C18 . . . 118.9(6) no
Pb2 N7 C22 . . . 119.8(7) no
C18 N7 C22 . . . 120.7(9) no
O10 N8 O11 . . . 117.3(9) no
O10 N8 O12 . . . 121.4(10) no
O11 N8 O12 . . . 121.3(9) no
N1 C2 C1 . . . 117.2(9) no
N1 C2 C3 . . . 119.6(10) no
C1 C2 C3 . . . 123.3(10) no
C2 C3 C4 . . . 120.6(12) no
C3 C4 C5 . . . 120.0(12) no
C4 C5 C6 . . . 118.8(11) no
N1 C6 C5 . . . 121.1(9) no
N1 C6 C7 . . . 116.2(8) no
C5 C6 C7 . . . 122.7(9) no
N2 C7 C6 . . . 118.4(8) no
N2 C7 C8 . . . 120.7(9) no
C6 C7 C8 . . . 120.8(8) no
C7 C8 C9 . . . 118.9(10) no
C8 C9 C10 . . . 119.8(10) no
C9 C10 C11 . . . 118.6(11) no
N2 C11 C10 . . . 122.6(10) no
N6 C13 C12 . . . 117.1(9) no
N6 C13 C14 . . . 121.8(10) no
C12 C13 C14 . . . 121.1(10) no
C13 C14 C15 . . . 119.5(12) no
C14 C15 C16 . . . 120.0(12) no
C15 C16 C17 . . . 118.2(12) no
N6 C17 C16 . . . 122.1(9) no
N6 C17 C18 . . . 115.9(7) no
C16 C17 C18 . . . 122.0(9) no
N7 C18 C17 . . . 118.5(8) no
N7 C18 C19 . . . 119.6(9) no
C17 C18 C19 . . . 121.9(9) no
C18 C19 C20 . . . 118.3(11) no
C19 C20 C21 . . . 121.0(11) no
C20 C21 C22 . . . 118.3(12) no
N7 C22 C21 . . . 122.0(11) no
C2 C1 H1A . . . 110.00 no
C2 C1 H1B . . . 110.00 no
C2 C1 H1C . . . 110.00 no
H1A C1 H1B . . . 109.00 no
H1A C1 H1C . . . 109.00 no
H1B C1 H1C . . . 109.00 no
C2 C3 H3 . . . 120.00 no
C4 C3 H3 . . . 120.00 no
C3 C4 H4 . . . 120.00 no
C5 C4 H4 . . . 120.00 no
C4 C5 H5 . . . 121.00 no
C6 C5 H5 . . . 121.00 no
C7 C8 H8 . . . 121.00 no
C9 C8 H8 . . . 121.00 no
C8 C9 H9 . . . 120.00 no
C10 C9 H9 . . . 120.00 no
C9 C10 H10 . . . 121.00 no
C11 C10 H10 . . . 121.00 no
N2 C11 H11 . . . 119.00 no
C10 C11 H11 . . . 119.00 no
C13 C12 H12A . . . 109.00 no
C13 C12 H12B . . . 109.00 no
C13 C12 H12C . . . 110.00 no
H12A C12 H12B . . . 109.00 no
H12A C12 H12C . . . 109.00 no
H12B C12 H12C . . . 109.00 no
C13 C14 H14 . . . 120.00 no
C15 C14 H14 . . . 120.00 no
C14 C15 H15 . . . 120.00 no
C16 C15 H15 . . . 120.00 no
C15 C16 H16 . . . 121.00 no
C17 C16 H16 . . . 121.00 no
C18 C19 H19 . . . 121.00 no
C20 C19 H19 . . . 121.00 no
C19 C20 H20 . . . 119.00 no
C21 C20 H20 . . . 119.00 no
C20 C21 H21 . . . 121.00 no
C22 C21 H21 . . . 121.00 no
N7 C22 H22 . . . 119.00 no
C21 C22 H22 . . . 119.00 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pb1 O1 . . 2.566(8) yes
Pb1 O2 . . 2.609(8) yes
Pb1 O4 . . 2.851(8) yes
Pb1 O5 . . 2.675(9) yes
Pb1 O8 . . 2.693(8) yes
Pb1 N1 . . 2.618(8) yes
Pb1 N2 . . 2.528(8) yes
Pb2 O9 . . 2.624(7) yes
Pb2 O10 . . 2.763(11) yes
Pb2 O11 . . 2.629(8) yes
Pb2 N6 . . 2.470(7) yes
Pb2 N7 . . 2.422(8) yes
Pb2 O12 . 2_655 2.910(9) yes
O1 N3 . . 1.269(13) no
O2 N3 . . 1.261(12) no
O3 N3 . . 1.222(12) no
O4 N4 . . 1.245(13) no
O5 N4 . . 1.287(13) no
O6 N4 . . 1.192(14) no
O7 N5 . . 1.241(13) no
O8 N5 . . 1.247(10) no
O9 N5 . . 1.275(12) no
O10 N8 . . 1.226(13) no
O11 N8 . . 1.244(12) no
O12 N8 . . 1.244(12) no
N1 C2 . . 1.354(13) no
N1 C6 . . 1.349(12) no
N2 C7 . . 1.333(12) no
N2 C11 . . 1.312(14) no
N6 C13 . . 1.338(13) no
N6 C17 . . 1.350(12) no
N7 C18 . . 1.348(12) no
N7 C22 . . 1.329(14) no
C1 C2 . . 1.477(15) no
C2 C3 . . 1.376(16) no
C3 C4 . . 1.354(19) no
C4 C5 . . 1.365(18) no
C5 C6 . . 1.379(14) no
C6 C7 . . 1.478(13) no
C7 C8 . . 1.401(14) no
C8 C9 . . 1.375(16) no
C9 C10 . . 1.339(18) no
C10 C11 . . 1.396(16) no
C12 C13 . . 1.512(15) no
C13 C14 . . 1.392(16) no
C14 C15 . . 1.36(2) no
C15 C16 . . 1.375(18) no
C16 C17 . . 1.397(14) no
C17 C18 . . 1.480(13) no
C18 C19 . . 1.403(15) no
C19 C20 . . 1.389(18) no
C20 C21 . . 1.348(19) no
C21 C22 . . 1.384(17) no
C1 H1A . . 0.9600 no
C1 H1B . . 0.9600 no
C1 H1C . . 0.9600 no
C3 H3 . . 0.9300 no
C4 H4 . . 0.9300 no
C5 H5 . . 0.9300 no
C8 H8 . . 0.9300 no
C9 H9 . . 0.9300 no
C10 H10 . . 0.9300 no
C11 H11 . . 0.9300 no
C12 H12A . . 0.9600 no
C12 H12B . . 0.9600 no
C12 H12C . . 0.9600 no
C14 H14 . . 0.9300 no
C15 H15 . . 0.9300 no
C16 H16 . . 0.9300 no
C19 H19 . . 0.9300 no
C20 H20 . . 0.9300 no
C21 H21 . . 0.9300 no
C22 H22 . . 0.9300 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C1 H1A O4 2_766 0.96 2.55 3.378(14) 144 yes
C3 H3 O10 2_666 0.93 2.50 3.368(17) 155 yes
C10 H10 O6 2_756 0.93 2.47 3.349(17) 157 yes
C12 H12A O10 . 0.96 2.48 3.299(15) 143 yes
C12 H12B O7 . 0.96 2.49 3.412(17) 160 yes
C12 H12C O8 2_666 0.96 2.59 3.516(14) 162 yes
C19 H19 O9 2_656 0.93 2.45 3.253(13) 145 yes
C21 H21 O1 2_756 0.93 2.42 3.212(15) 143 yes
C22 H22 O12 2_655 0.93 2.53 3.268(15) 137 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Pb1 O1 N3 . . . . -6.2(6) no
O4 Pb1 O1 N3 . . . . 127.9(6) no
O5 Pb1 O1 N3 . . . . 168.9(7) no
N1 Pb1 O1 N3 . . . . -66.3(7) no
N2 Pb1 O1 N3 . . . . -118.2(7) no
O4 Pb1 O1 N3 2_766 . . . 54.0(7) no
O1 Pb1 O2 N3 . . . . 6.2(6) no
O4 Pb1 O2 N3 . . . . -65.2(7) no
O5 Pb1 O2 N3 . . . . -0.8(8) no
O8 Pb1 O2 N3 . . . . 176.8(5) no
N1 Pb1 O2 N3 . . . . 132.1(6) no
N2 Pb1 O2 N3 . . . . 69.1(6) no
O4 Pb1 O2 N3 2_766 . . . -122.8(6) no
O1 Pb1 O4 N4 . . . . 73.9(7) no
O2 Pb1 O4 N4 . . . . 122.3(6) no
O5 Pb1 O4 N4 . . . . 7.7(6) no
O8 Pb1 O4 N4 . . . . -92.9(7) no
N1 Pb1 O4 N4 . . . . -85.2(8) no
N2 Pb1 O4 N4 . . . . -4.7(8) no
O4 Pb1 O4 N4 2_766 . . . -173.2(7) no
O1 Pb1 O4 Pb1 . . . 2_766 -113.0(3) no
O2 Pb1 O4 Pb1 . . . 2_766 -64.5(5) no
O5 Pb1 O4 Pb1 . . . 2_766 -179.1(6) no
O8 Pb1 O4 Pb1 . . . 2_766 80.3(3) no
N1 Pb1 O4 Pb1 . . . 2_766 88.0(5) no
N2 Pb1 O4 Pb1 . . . 2_766 168.5(3) no
O4 Pb1 O4 Pb1 2_766 . . 2_766 0.0(3) no
O1 Pb1 O4 Pb1 2_766 2_766 . . -97.2(4) no
O2 Pb1 O4 Pb1 2_766 2_766 . . -138.7(4) no
O4 Pb1 O4 Pb1 2_766 2_766 . . 0.0(3) no
O5 Pb1 O4 Pb1 2_766 2_766 . . -0.7(5) no
O8 Pb1 O4 Pb1 2_766 2_766 . . 75.2(3) no
N1 Pb1 O4 Pb1 2_766 2_766 . . 138.6(3) no
O1 Pb1 O4 N4 2_766 2_766 . . 67.4(18) no
O2 Pb1 O4 N4 2_766 2_766 . . 26.0(17) no
O4 Pb1 O4 N4 2_766 2_766 . . 164.7(18) no
O5 Pb1 O4 N4 2_766 2_766 . . 164.0(17) no
O8 Pb1 O4 N4 2_766 2_766 . . -120.2(17) no
N1 Pb1 O4 N4 2_766 2_766 . . -56.7(18) no
O1 Pb1 O5 N4 . . . . -125.3(7) no
O2 Pb1 O5 N4 . . . . -120.0(7) no
O4 Pb1 O5 N4 . . . . -7.6(6) no
O8 Pb1 O5 N4 . . . . 61.6(7) no
N1 Pb1 O5 N4 . . . . 121.8(6) no
N2 Pb1 O5 N4 . . . . 160.8(8) no
O4 Pb1 O5 N4 2_766 . . . -8.5(8) no
O2 Pb1 O8 N5 . . . . 141.4(7) no
O4 Pb1 O8 N5 . . . . 4.4(7) no
O5 Pb1 O8 N5 . . . . -40.4(7) no
N1 Pb1 O8 N5 . . . . -170.4(8) no
N2 Pb1 O8 N5 . . . . -111.6(7) no
O4 Pb1 O8 N5 2_766 . . . 77.1(7) no
O8 Pb1 N1 C6 . . . . 92.2(6) no
N2 Pb1 N1 C6 . . . . -16.8(6) no
O4 Pb1 N1 C6 2_766 . . . 159.2(6) no
O1 Pb1 N2 C7 . . . . 135.5(7) no
O2 Pb1 N2 C7 . . . . 90.4(7) no
O4 Pb1 N2 C7 . . . . -125.4(7) no
O5 Pb1 N2 C7 . . . . -134.7(7) no
O8 Pb1 N2 C7 . . . . -53.3(7) no
N1 Pb1 N2 C7 . . . . 9.9(6) no
O1 Pb1 N2 C11 . . . . -48.8(8) no
O2 Pb1 N2 C11 . . . . -93.9(8) no
O4 Pb1 N2 C11 . . . . 50.2(8) no
O5 Pb1 N2 C11 . . . . 40.9(8) no
O8 Pb1 N2 C11 . . . . 122.4(8) no
N1 Pb1 N2 C11 . . . . -174.4(8) no
O5 Pb1 N1 C6 . . . . 25.0(7) no
O5 Pb1 N1 C2 . . . . -134.5(7) no
O8 Pb1 N1 C2 . . . . -67.3(7) no
N2 Pb1 N1 C2 . . . . -176.2(8) no
O4 Pb1 N1 C2 2_766 . . . -0.2(7) no
O1 Pb1 N1 C2 . . . . 126.8(7) no
O2 Pb1 N1 C2 . . . . 85.1(7) no
O4 Pb1 N1 C2 . . . . -75.0(8) no
O4 Pb1 N1 C6 . . . . 84.5(7) no
O1 Pb1 N1 C6 . . . . -73.7(7) no
O2 Pb1 N1 C6 . . . . -115.4(6) no
O10 Pb2 O12 N8 2_655 2_655 . . 11.7(7) no
O11 Pb2 O12 N8 2_655 2_655 . . -25.8(7) no
N6 Pb2 O12 N8 2_655 2_655 . . -70.4(8) no
N7 Pb2 O12 N8 2_655 2_655 . . -96.6(7) no
O9 Pb2 O12 N8 2_655 2_655 . . -165.9(6) no
O10 Pb2 O9 N5 . . . . -74.9(7) no
O11 Pb2 O9 N5 . . . . -151.9(6) no
N6 Pb2 O9 N5 . . . . -105.8(6) no
N7 Pb2 O9 N5 . . . . -176.8(7) no
O12 Pb2 O9 N5 2_655 . . . 109.0(6) no
O9 Pb2 O10 N8 . . . . -130.6(6) no
O11 Pb2 O10 N8 . . . . -8.6(6) no
N6 Pb2 O10 N8 . . . . -100.6(7) no
N7 Pb2 O10 N8 . . . . -41.0(7) no
O12 Pb2 O10 N8 2_655 . . . 45.9(7) no
O9 Pb2 O11 N8 . . . . 130.3(6) no
O10 Pb2 O11 N8 . . . . 8.6(6) no
N6 Pb2 O11 N8 . . . . 87.0(6) no
N7 Pb2 O11 N8 . . . . 156.0(7) no
O12 Pb2 O11 N8 2_655 . . . -115.5(6) no
O11 Pb2 N7 C22 . . . . 87.4(8) no
N6 Pb2 N7 C22 . . . . 176.5(8) no
O12 Pb2 N7 C22 2_655 . . . 11.4(8) no
O12 Pb2 N6 C13 2_655 . . . -155.8(6) no
O9 Pb2 N6 C17 . . . . -83.2(6) no
O10 Pb2 N6 C17 . . . . 116.3(6) no
O11 Pb2 N6 C17 . . . . 69.7(6) no
N7 Pb2 N6 C17 . . . . -1.8(6) no
O12 Pb2 N6 C17 2_655 . . . 26.5(8) no
O9 Pb2 N7 C18 . . . . 80.0(6) no
O10 Pb2 N7 C18 . . . . -59.4(7) no
O11 Pb2 N7 C18 . . . . -83.6(6) no
N6 Pb2 N7 C18 . . . . 5.5(6) no
O12 Pb2 N7 C18 2_655 . . . -159.6(6) no
O9 Pb2 N6 C13 . . . . 94.5(7) no
O10 Pb2 N6 C13 . . . . -66.0(7) no
O11 Pb2 N6 C13 . . . . -112.6(7) no
N7 Pb2 N6 C13 . . . . 175.9(7) no
O9 Pb2 N7 C22 . . . . -109.0(8) no
O10 Pb2 N7 C22 . . . . 111.6(8) no
Pb1 O1 N3 O3 . . . . -168.1(10) no
Pb1 O1 N3 O2 . . . . 11.1(10) no
Pb1 O2 N3 O1 . . . . -10.8(10) no
Pb1 O2 N3 O3 . . . . 168.4(10) no
Pb1 O4 N4 O5 2_766 . . . -178.4(13) no
Pb1 O4 N4 O6 . . . . 167.5(11) no
Pb1 O4 N4 O5 . . . . -12.8(10) no
Pb1 O4 N4 O6 2_766 . . . 2(2) no
Pb1 O5 N4 O4 . . . . 13.9(11) no
Pb1 O5 N4 O6 . . . . -166.4(10) no
Pb1 O8 N5 O9 . . . . 81.2(9) no
Pb1 O8 N5 O7 . . . . -99.6(10) no
Pb2 O9 N5 O8 . . . . 177.8(6) no
Pb2 O9 N5 O7 . . . . -1.4(11) no
Pb2 O10 N8 O11 . . . . 14.9(10) no
Pb2 O10 N8 O12 . . . . -166.7(9) no
Pb2 O11 N8 O10 . . . . -15.9(10) no
Pb2 O11 N8 O12 . . . . 165.7(8) no
Pb2 O12 N8 O10 2_655 . . . 129.4(9) no
Pb2 O12 N8 O11 2_655 . . . -52.2(11) no
Pb1 N1 C2 C1 . . . . -20.6(11) no
C6 N1 C2 C1 . . . . -179.4(8) no
Pb1 N1 C2 C3 . . . . 158.7(7) no
C6 N1 C2 C3 . . . . -0.1(13) no
C2 N1 C6 C5 . . . . 1.3(13) no
Pb1 N1 C6 C7 . . . . 22.2(10) no
C2 N1 C6 C7 . . . . -178.4(8) no
Pb1 N1 C6 C5 . . . . -158.2(7) no
C11 N2 C7 C6 . . . . -178.7(9) no
Pb1 N2 C7 C8 . . . . 179.4(7) no
C7 N2 C11 C10 . . . . -5.9(16) no
Pb1 N2 C11 C10 . . . . 178.3(8) no
Pb1 N2 C7 C6 . . . . -3.1(11) no
C11 N2 C7 C8 . . . . 3.7(14) no
Pb2 N6 C17 C16 . . . . 178.1(7) no
C13 N6 C17 C16 . . . . 0.3(13) no
Pb2 N6 C13 C14 . . . . -178.6(8) no
Pb2 N6 C13 C12 . . . . 0.1(12) no
C17 N6 C13 C12 . . . . 177.7(8) no
Pb2 N6 C17 C18 . . . . -1.6(9) no
C17 N6 C13 C14 . . . . -0.9(14) no
C13 N6 C17 C18 . . . . -179.4(8) no
Pb2 N7 C22 C21 . . . . -172.4(9) no
Pb2 N7 C18 C19 . . . . 172.8(7) no
Pb2 N7 C18 C17 . . . . -8.6(10) no
C18 N7 C22 C21 . . . . -1.5(16) no
C22 N7 C18 C17 . . . . -179.5(9) no
C22 N7 C18 C19 . . . . 1.9(13) no
C1 C2 C3 C4 . . . . 177.5(11) no
N1 C2 C3 C4 . . . . -1.7(16) no
C2 C3 C4 C5 . . . . 2.3(18) no
C3 C4 C5 C6 . . . . -1.1(17) no
C4 C5 C6 N1 . . . . -0.7(14) no
C4 C5 C6 C7 . . . . 179.0(9) no
N1 C6 C7 C8 . . . . 164.3(9) no
N1 C6 C7 N2 . . . . -13.3(12) no
C5 C6 C7 C8 . . . . -15.4(14) no
C5 C6 C7 N2 . . . . 167.0(9) no
C6 C7 C8 C9 . . . . -178.9(10) no
N2 C7 C8 C9 . . . . -1.3(15) no
C7 C8 C9 C10 . . . . 1.2(17) no
C8 C9 C10 C11 . . . . -3.2(18) no
C9 C10 C11 N2 . . . . 5.8(18) no
C12 C13 C14 C15 . . . . -178.1(11) no
N6 C13 C14 C15 . . . . 0.5(16) no
C13 C14 C15 C16 . . . . 0.6(18) no
C14 C15 C16 C17 . . . . -1.2(17) no
C15 C16 C17 N6 . . . . 0.8(15) no
C15 C16 C17 C18 . . . . -179.6(9) no
C16 C17 C18 C19 . . . . 5.6(14) no
N6 C17 C18 C19 . . . . -174.7(8) no
C16 C17 C18 N7 . . . . -173.0(8) no
N6 C17 C18 N7 . . . . 6.7(11) no
C17 C18 C19 C20 . . . . 179.8(10) no
N7 C18 C19 C20 . . . . -1.7(15) no
C18 C19 C20 C21 . . . . 1.1(18) no
C19 C20 C21 C22 . . . . -0.7(19) no
C20 C21 C22 N7 . . . . 0.9(19) no
