#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/21/10/2211053.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_2211053
loop_
_publ_author_name
'Aghabozorg, Hossein'
'Ghasemikhah, Pouya'
'Ghadermazi, Mohammad'
'Sheshmani, Shabnam'
_publ_section_title
;
 Piperazinediium bis(pyridine-2,6-dicarboxylato)plumbate(II) dihydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2835
_journal_page_last               m2837
_journal_paper_doi               10.1107/S1600536806040074
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '(C4 H12 N2) [Pb (C7 H3 N O4)2], 2H2 O'
_chemical_formula_moiety         'C4 H12 N2 2+, C14 H6 N2 O8 Pb 2-, 2H2 O'
_chemical_formula_sum            'C18 H22 N4 O10 Pb'
_chemical_formula_weight         661.59
_chemical_name_systematic
;
Piperazinediium bis(pyridine-2,6-dicarboxylato)lead(II) dihydrate
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.6700(10)
_cell_angle_beta                 102.7810(10)
_cell_angle_gamma                98.1620(10)
_cell_formula_units_Z            2
_cell_length_a                   7.3115(4)
_cell_length_b                   12.5123(6)
_cell_length_c                   13.0501(7)
_cell_measurement_reflns_used    9297
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      3.0
_cell_volume                     1039.52(9)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL(Sheldrick, 1998)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type
'Bruker SMART 1000 CCD area-detector diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11465
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    8.182
_exptl_absorpt_correction_T_max  0.291
_exptl_absorpt_correction_T_min  0.173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.114
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.733
_refine_diff_density_min         -0.838
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0167
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0174P)²+0.6846P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0394
_refine_ls_wR_factor_ref         0.0400
_reflns_number_gt                5195
_reflns_number_total             5457
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hk2136.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom and difmap' was changed
to 'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               2211053
_cod_database_fobs_code          2211053
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
Pb Pb1 0.061636(11) 0.771312(7) 0.239940(6) 0.01045(3) Uani d . 1
O O1 -0.0933(2) 0.59325(14) 0.24451(14) 0.0160(3) Uani d . 1
O O2 -0.2586(3) 0.40184(15) 0.15729(14) 0.0184(3) Uani d . 1
O O3 0.0375(2) 0.81236(14) 0.04571(14) 0.0142(3) Uani d . 1
O O4 -0.1465(3) 0.76298(15) -0.13491(15) 0.0175(3) Uani d . 1
O O5 -0.2376(2) 0.83044(15) 0.20528(14) 0.0141(3) Uani d . 1
O O6 -0.4712(2) 0.90529(16) 0.26981(15) 0.0174(3) Uani d . 1
O O7 0.2672(2) 0.76700(17) 0.43353(15) 0.0194(3) Uani d . 1
O O8 0.2782(2) 0.78039(15) 0.61085(15) 0.0177(3) Uani d . 1
N N1 -0.1490(3) 0.60655(16) 0.04047(16) 0.0105(3) Uani d . 1
N N2 -0.0638(3) 0.83914(16) 0.41305(15) 0.0099(3) Uani d . 1
C C1 -0.2294(3) 0.50242(19) 0.03809(18) 0.0101(4) Uani d . 1
C C2 -0.3438(3) 0.4051(2) -0.0647(2) 0.0143(4) Uani d . 1
H H2A -0.3972 0.3313 -0.0646 0.017 Uiso calc R 1
C C3 -0.3779(3) 0.4188(2) -0.1673(2) 0.0152(4) Uani d . 1
H H3A -0.4553 0.3540 -0.2390 0.018 Uiso calc R 1
C C4 -0.2979(3) 0.5281(2) -0.16455(19) 0.0143(4) Uani d . 1
H H4A -0.3217 0.5395 -0.2337 0.017 Uiso calc R 1
C C5 -0.1828(3) 0.62008(19) -0.05870(19) 0.0108(4) Uani d . 1
C C6 -0.1909(3) 0.4980(2) 0.15510(19) 0.0124(4) Uani d . 1
C C7 -0.0889(3) 0.74192(19) -0.04833(19) 0.0106(4) Uani d . 1
C C8 -0.2311(3) 0.87124(18) 0.40011(18) 0.0097(4) Uani d . 1
C C9 -0.3182(3) 0.9039(2) 0.4881(2) 0.0148(4) Uani d . 1
H H9A -0.4378 0.9256 0.4764 0.018 Uiso calc R 1
C C10 -0.2276(4) 0.9043(2) 0.5929(2) 0.0169(4) Uani d . 1
H H10A -0.2831 0.9272 0.6550 0.020 Uiso calc R 1
C C11 -0.0534(3) 0.8704(2) 0.60661(19) 0.0156(4) Uani d . 1
H H11A 0.0114 0.8698 0.6779 0.019 Uiso calc R 1
C C12 0.0238(3) 0.83771(19) 0.51402(19) 0.0115(4) Uani d . 1
C C13 -0.3206(3) 0.86881(19) 0.28280(19) 0.0120(4) Uani d . 1
C C14 0.2065(3) 0.7924(2) 0.5194(2) 0.0133(4) Uani d . 1
N N1S 0.8684(3) 0.43374(17) 0.38381(16) 0.0133(4) Uani d . 1
H H1NA 0.8213 0.4254 0.3117 0.016 Uiso d R 1
H H1NB 0.8156 0.3632 0.3835 0.016 Uiso d R 1
C C1S 1.0821(3) 0.4508(2) 0.4065(2) 0.0154(4) Uani d . 1
H H1SB 1.1369 0.5227 0.3977 0.018 Uiso calc R 1
H H1SC 1.1087 0.3808 0.3485 0.018 Uiso calc R 1
C C2S 0.8212(3) 0.5347(2) 0.4720(2) 0.0156(4) Uani d . 1
H H2SA 0.6790 0.5189 0.4572 0.019 Uiso calc R 1
H H2SB 0.8662 0.6096 0.4656 0.019 Uiso calc R 1
N N2S 0.5637(3) 0.97841(18) 0.10009(17) 0.0141(4) Uani d . 1
H H2NA 0.5409 0.9577 0.1528 0.017 Uiso d R 1
H H2NB 0.6844 1.0006 0.1178 0.017 Uiso d R 1
C C3S 0.4725(3) 0.8766(2) -0.0170(2) 0.0155(4) Uani d . 1
H H3SA 0.3313 0.8515 -0.0306 0.019 Uiso calc R 1
H H3SB 0.5276 0.8078 -0.0211 0.019 Uiso calc R 1
C C4S 0.4911(4) 1.0859(2) 0.1097(2) 0.0167(4) Uani d . 1
H H4SA 0.5578 1.1523 0.1878 0.020 Uiso calc R 1
H H4SB 0.3504 1.0678 0.1002 0.020 Uiso calc R 1
O O1W 0.9462(2) 1.03006(14) 0.12047(14) 0.0160(3) Uani d . 1
H H1WA 1.0012 1.0889 0.1143 0.019 Uiso d R 1
H H1WB 0.9815 0.9782 0.0951 0.019 Uiso d R 1
O O2W 0.5754(3) 0.66636(17) 0.64453(16) 0.0241(4) Uani d . 1
H H2WA 0.5126 0.7115 0.6282 0.029 Uiso d R 1
H H2WB 0.6416 0.7064 0.7131 0.029 Uiso d R 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_3
_geom_angle
_geom_angle_publ_flag
O1 Pb1 O5 . . 92.58(6) yes
O1 Pb1 N2 . . 74.22(6) ?
O5 Pb1 N2 . . 65.89(5) yes
O1 Pb1 N1 . . 65.39(6) yes
O5 Pb1 N1 . . 75.86(5) ?
N2 Pb1 N1 . . 121.92(6) yes
O1 Pb1 O7 . . 73.33(5) yes
O5 Pb1 O7 . . 128.53(5) yes
N2 Pb1 O7 . . 62.65(6) yes
N1 Pb1 O7 . . 133.13(6) ?
O1 Pb1 O3 . . 126.49(5) yes
O5 Pb1 O3 . . 75.51(5) yes
N2 Pb1 O3 . . 137.37(5) ?
N1 Pb1 O3 . . 61.10(5) yes
O7 Pb1 O3 . . 151.30(5) yes
C6 O1 Pb1 . . 124.70(14) ?
C7 O3 Pb1 . . 119.24(13) ?
C13 O5 Pb1 . . 122.99(13) ?
C14 O7 Pb1 . . 120.27(14) ?
C1 N1 C5 . . 119.52(19) ?
C1 N1 Pb1 . . 116.56(14) ?
C5 N1 Pb1 . . 123.91(14) ?
C8 N2 C12 . . 119.34(19) ?
C8 N2 Pb1 . . 117.72(13) ?
C12 N2 Pb1 . . 122.83(15) ?
N1 C1 C2 . . 122.3(2) ?
N1 C1 C6 . . 115.56(18) ?
C2 C1 C6 . . 122.10(19) ?
C3 C2 C1 . . 118.2(2) ?
C3 C2 H2A . . 120.9 ?
C1 C2 H2A . . 120.9 ?
C2 C3 C4 . . 119.5(2) ?
C2 C3 H3A . . 120.2 ?
C4 C3 H3A . . 120.2 ?
C5 C4 C3 . . 118.7(2) ?
C5 C4 H4A . . 120.7 ?
C3 C4 H4A . . 120.7 ?
N1 C5 C4 . . 121.7(2) ?
N1 C5 C7 . . 116.31(19) ?
C4 C5 C7 . . 121.97(19) ?
O2 C6 O1 . . 124.5(2) ?
O2 C6 C1 . . 118.08(19) ?
O1 C6 C1 . . 117.41(19) ?
O3 C7 O4 . . 125.9(2) ?
O3 C7 C5 . . 117.38(19) ?
O4 C7 C5 . . 116.75(19) ?
N2 C8 C9 . . 122.3(2) ?
N2 C8 C13 . . 115.66(19) ?
C9 C8 C13 . . 122.03(19) ?
C10 C9 C8 . . 118.7(2) ?
C10 C9 H9A . . 120.6 ?
C8 C9 H9A . . 120.6 ?
C9 C10 C11 . . 119.1(2) ?
C9 C10 H10A . . 120.4 ?
C11 C10 H10A . . 120.4 ?
C12 C11 C10 . . 118.8(2) ?
C12 C11 H11A . . 120.6 ?
C10 C11 H11A . . 120.6 ?
N2 C12 C11 . . 121.7(2) ?
N2 C12 C14 . . 116.3(2) ?
C11 C12 C14 . . 122.0(2) ?
O6 C13 O5 . . 124.9(2) ?
O6 C13 C8 . . 117.5(2) ?
O5 C13 C8 . . 117.63(19) ?
O7 C14 O8 . . 126.3(2) ?
O7 C14 C12 . . 117.72(19) ?
O8 C14 C12 . . 115.9(2) ?
C2S N1S C1S . . 111.46(17) ?
C2S N1S H1NA . . 113.2 ?
C1S N1S H1NA . . 106.1 ?
C2S N1S H1NB . . 110.2 ?
C1S N1S H1NB . . 109.7 ?
H1NA N1S H1NB . . 106.0 ?
N1S C1S C2S . 2_766 110.88(18) ?
N1S C1S H1SB . . 109.5 ?
C2S C1S H1SB 2_766 . 109.5 ?
N1S C1S H1SC . . 109.5 ?
C2S C1S H1SC 2_766 . 109.5 ?
H1SB C1S H1SC . . 108.1 ?
N1S C2S C1S . 2_766 110.29(18) ?
N1S C2S H2SA . . 109.6 ?
C1S C2S H2SA 2_766 . 109.6 ?
N1S C2S H2SB . . 109.6 ?
C1S C2S H2SB 2_766 . 109.6 ?
H2SA C2S H2SB . . 108.1 ?
C4S N2S C3S . . 111.96(17) ?
C4S N2S H2NA . . 109.1 ?
C3S N2S H2NA . . 109.8 ?
C4S N2S H2NB . . 106.1 ?
C3S N2S H2NB . . 113.8 ?
H2NA N2S H2NB . . 105.9 ?
N2S C3S C4S . 2_675 109.72(18) ?
N2S C3S H3SA . . 109.7 ?
C4S C3S H3SA 2_675 . 109.7 ?
N2S C3S H3SB . . 109.7 ?
C4S C3S H3SB 2_675 . 109.7 ?
H3SA C3S H3SB . . 108.2 ?
N2S C4S C3S . 2_675 110.16(19) ?
N2S C4S H4SA . . 109.6 ?
C3S C4S H4SA 2_675 . 109.6 ?
N2S C4S H4SB . . 109.6 ?
C3S C4S H4SB 2_675 . 109.6 ?
H4SA C4S H4SB . . 108.1 ?
H1WA O1W H1WB . . 112.6 ?
H2WA O2W H2WB . . 104.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pb1 O1 . 2.3805(16) yes
Pb1 O5 . 2.4123(16) yes
Pb1 N2 . 2.5150(18) yes
Pb1 N1 . 2.5664(18) yes
Pb1 O7 . 2.6632(17) yes
Pb1 O3 . 2.7480(16) yes
O1 C6 . 1.269(3) ?
O2 C6 . 1.248(3) ?
O3 C7 . 1.253(3) ?
O4 C7 . 1.255(3) ?
O5 C13 . 1.266(3) ?
O6 C13 . 1.253(3) ?
O7 C14 . 1.241(3) ?
O8 C14 . 1.267(3) ?
N1 C1 . 1.337(3) ?
N1 C5 . 1.343(3) ?
N2 C8 . 1.336(3) ?
N2 C12 . 1.340(3) ?
C1 C2 . 1.392(3) ?
C1 C6 . 1.514(3) ?
C2 C3 . 1.388(3) ?
C2 H2A . 0.9500 ?
C3 C4 . 1.393(3) ?
C3 H3A . 0.9500 ?
C4 C5 . 1.388(3) ?
C4 H4A . 0.9500 ?
C5 C7 . 1.522(3) ?
C8 C9 . 1.388(3) ?
C8 C13 . 1.513(3) ?
C9 C10 . 1.380(3) ?
C9 H9A . 0.9500 ?
C10 C11 . 1.394(3) ?
C10 H10A . 0.9500 ?
C11 C12 . 1.390(3) ?
C11 H11A . 0.9500 ?
C12 C14 . 1.522(3) ?
N1S C2S . 1.490(3) ?
N1S C1S . 1.492(3) ?
N1S H1NA . 0.8864 ?
N1S H1NB . 0.9100 ?
C1S C2S 2_766 1.514(3) ?
C1S H1SB . 0.9900 ?
C1S H1SC . 0.9900 ?
C2S C1S 2_766 1.514(3) ?
C2S H2SA . 0.9900 ?
C2S H2SB . 0.9900 ?
N2S C4S . 1.486(3) ?
N2S C3S . 1.486(3) ?
N2S H2NA . 0.8622 ?
N2S H2NB . 0.8361 ?
C3S C4S 2_675 1.516(3) ?
C3S H3SA . 0.9900 ?
C3S H3SB . 0.9900 ?
C4S C3S 2_675 1.516(3) ?
C4S H4SA . 0.9900 ?
C4S H4SB . 0.9900 ?
O1W H1WA . 0.8281 ?
O1W H1WB . 0.7189 ?
O2W H2WA . 0.8360 ?
O2W H2WB . 0.8240 ?
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
N1S H1NA O2 1_655 0.8900 1.8600 2.744(3) 175.00 yes
N1S H1NB O8 2_666 0.9100 1.8700 2.774(3) 176.00 yes
N2S H2NA O6 1_655 0.8600 1.8900 2.748(3) 171.00 yes
N2S H2NB O1W . 0.8400 1.8900 2.708(3) 167.00 yes
O1W H1WA O4 2_675 0.8300 1.8900 2.704(3) 168.00 yes
O1W H1WB O3 1_655 0.7200 2.0500 2.752(3) 164.00 yes
O2W H2WA O8 . 0.8400 2.0300 2.809(3) 154.00 yes
O2W H2WB O4 1_656 0.8200 2.0200 2.813(3) 161.00 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_4
_geom_torsion
_geom_torsion_publ_flag
O5 Pb1 O1 C6 . 79.00(18) yes
N2 Pb1 O1 C6 . 143.04(19) ?
N1 Pb1 O1 C6 . 5.84(17) ?
O7 Pb1 O1 C6 . -151.39(19) ?
O3 Pb1 O1 C6 . 5.2(2) ?
O1 Pb1 O3 C7 . 12.71(18) ?
O5 Pb1 O3 C7 . -69.64(16) ?
N2 Pb1 O3 C7 . -94.99(16) ?
N1 Pb1 O3 C7 . 11.99(15) ?
O7 Pb1 O3 C7 . 140.15(15) ?
O1 Pb1 O5 C13 . 72.56(17) ?
N2 Pb1 O5 C13 . 1.13(16) ?
N1 Pb1 O5 C13 . 136.38(17) ?
O7 Pb1 O5 C13 . 1.90(19) ?
O3 Pb1 O5 C13 . -160.34(17) ?
O1 Pb1 O7 C14 . -76.08(17) yes
O5 Pb1 O7 C14 . 3.6(2) ?
N2 Pb1 O7 C14 . 4.43(16) ?
N1 Pb1 O7 C14 . -104.91(17) ?
O3 Pb1 O7 C14 . 145.70(15) ?
O1 Pb1 N1 C1 . -3.89(14) ?
O5 Pb1 N1 C1 . -103.47(15) ?
N2 Pb1 N1 C1 . -54.26(17) ?
O7 Pb1 N1 C1 . 26.64(18) ?
O3 Pb1 N1 C1 . 175.48(17) ?
O1 Pb1 N1 C5 . 175.48(18) ?
O5 Pb1 N1 C5 . 75.90(16) ?
N2 Pb1 N1 C5 . 125.11(16) ?
O7 Pb1 N1 C5 . -153.99(15) ?
O3 Pb1 N1 C5 . -5.15(15) ?
O1 Pb1 N2 C8 . -99.01(15) ?
O5 Pb1 N2 C8 . 1.24(14) ?
N1 Pb1 N2 C8 . -52.31(16) ?
O7 Pb1 N2 C8 . -178.08(17) ?
O3 Pb1 N2 C8 . 28.25(18) ?
O1 Pb1 N2 C12 . 77.09(16) ?
O5 Pb1 N2 C12 . 177.33(17) ?
N1 Pb1 N2 C12 . 123.78(16) ?
O7 Pb1 N2 C12 . -1.99(15) ?
O3 Pb1 N2 C12 . -155.65(14) ?
C5 N1 C1 C2 . 1.8(3) ?
Pb1 N1 C1 C2 . -178.81(16) ?
C5 N1 C1 C6 . -177.05(18) ?
Pb1 N1 C1 C6 . 2.4(2) ?
N1 C1 C2 C3 . -1.4(3) ?
C6 C1 C2 C3 . 177.3(2) ?
C1 C2 C3 C4 . -0.1(3) ?
C2 C3 C4 C5 . 1.1(3) ?
C1 N1 C5 C4 . -0.7(3) ?
Pb1 N1 C5 C4 . 179.99(16) ?
C1 N1 C5 C7 . 178.98(18) ?
Pb1 N1 C5 C7 . -0.4(3) ?
C3 C4 C5 N1 . -0.8(3) ?
C3 C4 C5 C7 . 179.6(2) ?
Pb1 O1 C6 O2 . 173.84(17) ?
Pb1 O1 C6 C1 . -6.9(3) ?
N1 C1 C6 O2 . -178.2(2) ?
C2 C1 C6 O2 . 3.0(3) ?
N1 C1 C6 O1 . 2.5(3) ?
C2 C1 C6 O1 . -176.3(2) ?
Pb1 O3 C7 O4 . 162.50(18) ?
Pb1 O3 C7 C5 . -16.9(2) ?
N1 C5 C7 O3 . 12.0(3) ?
C4 C5 C7 O3 . -168.4(2) ?
N1 C5 C7 O4 . -167.52(19) ?
C4 C5 C7 O4 . 12.1(3) ?
C12 N2 C8 C9 . 0.3(3) ?
Pb1 N2 C8 C9 . 176.50(16) ?
C12 N2 C8 C13 . -179.29(18) ?
Pb1 N2 C8 C13 . -3.1(2) ?
N2 C8 C9 C10 . 0.6(3) ?
C13 C8 C9 C10 . -179.9(2) ?
C8 C9 C10 C11 . -0.8(3) ?
C9 C10 C11 C12 . 0.2(3) ?
C8 N2 C12 C11 . -0.9(3) ?
Pb1 N2 C12 C11 . -176.97(15) ?
C8 N2 C12 C14 . 176.10(18) ?
Pb1 N2 C12 C14 . 0.1(2) ?
C10 C11 C12 N2 . 0.7(3) ?
C10 C11 C12 C14 . -176.2(2) ?
Pb1 O5 C13 O6 . 176.69(16) ?
Pb1 O5 C13 C8 . -3.1(3) ?
N2 C8 C13 O6 . -175.75(19) ?
C9 C8 C13 O6 . 4.7(3) ?
N2 C8 C13 O5 . 4.1(3) ?
C9 C8 C13 O5 . -175.5(2) ?
Pb1 O7 C14 O8 . 171.24(17) ?
Pb1 O7 C14 C12 . -6.1(3) ?
N2 C12 C14 O7 . 4.1(3) ?
C11 C12 C14 O7 . -178.8(2) ?
N2 C12 C14 O8 . -173.49(19) ?
C11 C12 C14 O8 . 3.5(3) ?
C2S N1S C1S C2S 2_766 56.7(3) ?
C1S N1S C2S C1S 2_766 -56.4(3) ?
C4S N2S C3S C4S 2_675 57.4(3) ?
C3S N2S C4S C3S 2_675 -57.6(3) ?
