#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/28/2222880.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_2222880
loop_
_publ_author_name
'Gao, Junli'
'Xuan, Xiaopeng'
_publ_section_title
;Di-μ-benzoato-κ³O,O':O;κ³O:O,O'-bis[(acetato-κO)(1,10-phenanthroline-κ²N,N')lead(II)]
 dihydrate
;
_journal_coeditor_code           SJ2634
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m900
_journal_paper_doi               10.1107/S1600536809025896
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Pb2 (C2 H3 O2)2 (C7 H5 O2)2 (C12 H8 N2)2], 2H2 O'
_chemical_formula_moiety         'C42 H32 N4 O8 Pb2, 2(H2 O)'
_chemical_formula_sum            'C42 H36 N4 O10 Pb2'
_chemical_formula_weight         1171.15
_chemical_name_systematic
;Di-μ-benzoato-
κ³O,O':O;κ³O:O,O'-
bis[(acetato-κO)(1,10-phenanthroline-κ²N,N')lead(II)]
dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.392(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.809(4)
_cell_length_b                   13.910(5)
_cell_length_c                   12.290(4)
_cell_measurement_reflns_used    3638
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      23.05
_cell_measurement_theta_min      2.33
_cell_volume                     1926.5(11)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and 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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16820
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.27
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.794
_exptl_absorpt_correction_T_max  0.6675
_exptl_absorpt_correction_T_min  0.4446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.019
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.848
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4417
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0287
_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)+(0.0213P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0519
_refine_ls_wR_factor_ref         0.0571
_reflns_number_gt                3343
_reflns_number_total             4417
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2634.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2222880
_cod_database_fobs_code          2222880
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Pb Pb1 0.173727(14) 0.043850(12) 0.498903(14) 0.03372(6) Uani d . 1 . .
N N1 0.2720(3) -0.0825(3) 0.3883(3) 0.0359(9) Uani d . 1 . .
N N2 0.3507(3) 0.1041(3) 0.4296(3) 0.0311(8) Uani d . 1 . .
O O1 -0.0112(3) -0.0419(2) 0.3725(3) 0.0457(8) Uani d . 1 . .
O O2 0.0805(3) 0.0648(2) 0.2958(3) 0.0423(8) Uani d . 1 . .
O O3 0.0861(3) 0.2009(2) 0.4678(3) 0.0518(7) Uani d U 1 . .
O O4 0.2321(3) 0.2249(2) 0.6272(3) 0.0544(8) Uani d U 1 . .
O O5 0.3305(3) 0.3221(3) 0.8466(3) 0.0727(12) Uani d . 1 . .
H H1W 0.3119 0.2922 0.7852 0.109 Uiso d R 1 . .
H H2W 0.4037 0.3247 0.8745 0.109 Uiso d R 1 . .
C C1 -0.0917(4) -0.0099(3) 0.1737(4) 0.0316(10) Uani d . 1 . .
C C2 -0.0902(4) 0.0467(4) 0.0825(4) 0.0496(13) Uani d . 1 . .
H H2 -0.0340 0.0953 0.0923 0.059 Uiso calc R 1 . .
C C3 -0.1716(5) 0.0322(4) -0.0240(4) 0.0610(16) Uani d . 1 . .
H H3 -0.1702 0.0710 -0.0852 0.073 Uiso calc R 1 . .
C C4 -0.2551(5) -0.0405(4) -0.0383(5) 0.0591(15) Uani d . 1 . .
H H4 -0.3101 -0.0508 -0.1094 0.071 Uiso calc R 1 . .
C C5 -0.2564(4) -0.0974(4) 0.0529(4) 0.0517(14) Uani d . 1 . .
H H5 -0.3130 -0.1457 0.0433 0.062 Uiso calc R 1 . .
C C6 -0.1751(4) -0.0836(3) 0.1580(4) 0.0408(12) Uani d . 1 . .
H H6 -0.1757 -0.1233 0.2187 0.049 Uiso calc R 1 . .
C C7 -0.0022(4) 0.0053(3) 0.2875(4) 0.0358(11) Uani d . 1 . .
C C8 0.2340(5) -0.1718(4) 0.3670(4) 0.0478(13) Uani d . 1 . .
H H8 0.1693 -0.1909 0.3903 0.057 Uiso calc R 1 . .
C C9 0.2844(5) -0.2388(4) 0.3123(4) 0.0555(15) Uani d . 1 . .
H H9 0.2538 -0.3008 0.2992 0.067 Uiso calc R 1 . .
C C10 0.3789(5) -0.2130(4) 0.2779(4) 0.0510(14) Uani d . 1 . .
H H10 0.4144 -0.2572 0.2415 0.061 Uiso calc R 1 . .
C C11 0.4235(4) -0.1176(4) 0.2979(4) 0.0408(12) Uani d . 1 . .
C C12 0.5245(5) -0.0854(4) 0.2670(4) 0.0493(14) Uani d . 1 . .
H H12 0.5628 -0.1274 0.2307 0.059 Uiso calc R 1 . .
C C13 0.5649(4) 0.0053(4) 0.2898(4) 0.0467(13) Uani d . 1 . .
H H13 0.6318 0.0242 0.2703 0.056 Uiso calc R 1 . .
C C14 0.5072(4) 0.0736(3) 0.3438(4) 0.0342(11) Uani d . 1 . .
C C15 0.5469(4) 0.1678(4) 0.3670(4) 0.0426(12) Uani d . 1 . .
H H15 0.6125 0.1896 0.3471 0.051 Uiso calc R 1 . .
C C16 0.4878(4) 0.2280(4) 0.4197(4) 0.0429(12) Uani d . 1 . .
H H16 0.5116 0.2917 0.4345 0.051 Uiso calc R 1 . .
C C17 0.3918(4) 0.1927(3) 0.4507(4) 0.0367(11) Uani d . 1 . .
H H17 0.3542 0.2338 0.4885 0.044 Uiso calc R 1 . .
C C18 0.4080(4) 0.0436(3) 0.3760(4) 0.0306(10) Uani d . 1 . .
C C19 0.3653(4) -0.0553(3) 0.3537(4) 0.0329(10) Uani d . 1 . .
C C20 0.1402(5) 0.2519(4) 0.5538(4) 0.0513(7) Uani d U 1 . .
C C21 0.0877(5) 0.3482(4) 0.5642(4) 0.0572(11) Uani d U 1 . .
H H21A 0.0272 0.3411 0.6012 0.086 Uiso calc R 1 . .
H H21B 0.0535 0.3751 0.4896 0.086 Uiso calc R 1 . .
H H21C 0.1487 0.3902 0.6084 0.086 Uiso calc 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
O3 Pb1 O2 . . 71.68(11) ?
O3 Pb1 O1 . . 94.51(11) ?
O2 Pb1 O1 . . 52.41(10) ?
O3 Pb1 N2 . . 90.27(12) ?
O2 Pb1 N2 . . 77.74(11) ?
O1 Pb1 N2 . . 124.72(10) ?
O3 Pb1 N1 . . 138.24(11) ?
O2 Pb1 N1 . . 71.93(11) ?
O1 Pb1 N1 . . 78.91(11) ?
N2 Pb1 N1 . . 62.48(11) ?
O3 Pb1 C7 . . 82.19(12) ?
O2 Pb1 C7 . . 26.08(12) ?
O1 Pb1 C7 . . 26.33(11) ?
N2 Pb1 C7 . . 101.47(13) ?
N1 Pb1 C7 . . 73.94(12) ?
C8 N1 C19 . . 117.6(4) ?
C8 N1 Pb1 . . 122.9(3) ?
C19 N1 Pb1 . . 119.5(3) ?
C17 N2 C18 . . 117.6(4) ?
C17 N2 Pb1 . . 121.1(3) ?
C18 N2 Pb1 . . 121.2(3) ?
C7 O1 Pb1 . . 89.6(3) ?
C7 O2 Pb1 . . 96.1(3) ?
C20 O3 Pb1 . . 106.8(3) ?
H1W O5 H2W . . 110.9 ?
C2 C1 C6 . . 119.3(4) ?
C2 C1 C7 . . 120.2(4) ?
C6 C1 C7 . . 120.5(4) ?
C1 C2 C3 . . 120.8(5) ?
C1 C2 H2 . . 119.6 ?
C3 C2 H2 . . 119.6 ?
C4 C3 C2 . . 119.4(5) ?
C4 C3 H3 . . 120.3 ?
C2 C3 H3 . . 120.3 ?
C5 C4 C3 . . 119.7(5) ?
C5 C4 H4 . . 120.1 ?
C3 C4 H4 . . 120.1 ?
C6 C5 C4 . . 120.8(5) ?
C6 C5 H5 . . 119.6 ?
C4 C5 H5 . . 119.6 ?
C5 C6 C1 . . 119.9(5) ?
C5 C6 H6 . . 120.0 ?
C1 C6 H6 . . 120.0 ?
O2 C7 O1 . . 121.9(4) ?
O2 C7 C1 . . 118.9(4) ?
O1 C7 C1 . . 119.2(4) ?
O2 C7 Pb1 . . 57.8(2) ?
O1 C7 Pb1 . . 64.1(2) ?
C1 C7 Pb1 . . 176.6(4) ?
N1 C8 C9 . . 124.1(5) ?
N1 C8 H8 . . 118.0 ?
C9 C8 H8 . . 118.0 ?
C10 C9 C8 . . 119.2(5) ?
C10 C9 H9 . . 120.4 ?
C8 C9 H9 . . 120.4 ?
C9 C10 C11 . . 119.3(5) ?
C9 C10 H10 . . 120.3 ?
C11 C10 H10 . . 120.3 ?
C19 C11 C10 . . 116.8(5) ?
C19 C11 C12 . . 120.4(5) ?
C10 C11 C12 . . 122.8(5) ?
C13 C12 C11 . . 120.7(5) ?
C13 C12 H12 . . 119.7 ?
C11 C12 H12 . . 119.7 ?
C12 C13 C14 . . 121.8(5) ?
C12 C13 H13 . . 119.1 ?
C14 C13 H13 . . 119.1 ?
C15 C14 C18 . . 118.6(4) ?
C15 C14 C13 . . 122.6(5) ?
C18 C14 C13 . . 118.8(5) ?
C16 C15 C14 . . 119.0(4) ?
C16 C15 H15 . . 120.5 ?
C14 C15 H15 . . 120.5 ?
C15 C16 C17 . . 119.1(5) ?
C15 C16 H16 . . 120.5 ?
C17 C16 H16 . . 120.5 ?
N2 C17 C16 . . 124.0(4) ?
N2 C17 H17 . . 118.0 ?
C16 C17 H17 . . 118.0 ?
N2 C18 C14 . . 121.8(4) ?
N2 C18 C19 . . 118.5(4) ?
C14 C18 C19 . . 119.7(4) ?
N1 C19 C11 . . 123.1(4) ?
N1 C19 C18 . . 118.2(4) ?
C11 C19 C18 . . 118.7(4) ?
O4 C20 O3 . . 123.1(5) ?
O4 C20 C21 . . 120.1(5) ?
O3 C20 C21 . . 116.8(5) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
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 O3 . 2.399(3) yes
Pb1 O2 . 2.426(3) yes
Pb1 O1 . 2.565(3) yes
Pb1 O1 3_556 2.828(3) yes
Pb1 N2 . 2.619(4) yes
Pb1 N1 . 2.688(4) yes
Pb1 C7 . 2.851(5) ?
N1 C8 . 1.320(6) ?
N1 C19 . 1.349(6) ?
N2 C17 . 1.321(5) ?
N2 C18 . 1.366(5) ?
O1 C7 . 1.264(5) ?
O2 C7 . 1.261(5) ?
O3 C20 . 1.273(6) ?
O4 C20 . 1.244(6) ?
O5 H1W . 0.8317 ?
O5 H2W . 0.8295 ?
C1 C2 . 1.375(6) ?
C1 C6 . 1.394(6) ?
C1 C7 . 1.495(6) ?
C2 C3 . 1.387(7) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.387(7) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.377(7) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.373(6) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C8 C9 . 1.384(7) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.355(7) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.421(7) ?
C10 H10 . 0.9300 ?
C11 C19 . 1.405(6) ?
C11 C12 . 1.428(7) ?
C12 C13 . 1.348(7) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.442(7) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.393(6) ?
C14 C18 . 1.407(6) ?
C15 C16 . 1.370(6) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.390(6) ?
C16 H16 . 0.9300 ?
C17 H17 . 0.9300 ?
C18 C19 . 1.463(6) ?
C20 C21 . 1.498(7) ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
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
O5 H2W O3 4_666 0.83 2.15 2.958(5) 165.7
O5 H1W O4 . 0.83 2.11 2.928(5) 169.2
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
O3 Pb1 N1 C8 . . . . -124.4(3) ?
O2 Pb1 N1 C8 . . . . -93.9(4) ?
O1 Pb1 N1 C8 . . . . -40.1(3) ?
N2 Pb1 N1 C8 . . . . -179.2(4) ?
C7 Pb1 N1 C8 . . . . -66.7(4) ?
O3 Pb1 N1 C19 . . . . 56.5(4) ?
O2 Pb1 N1 C19 . . . . 87.0(3) ?
O1 Pb1 N1 C19 . . . . 140.8(3) ?
N2 Pb1 N1 C19 . . . . 1.7(3) ?
C7 Pb1 N1 C19 . . . . 114.2(3) ?
O3 Pb1 N2 C17 . . . . 34.5(3) ?
O2 Pb1 N2 C17 . . . . 105.7(3) ?
O1 Pb1 N2 C17 . . . . 130.2(3) ?
N1 Pb1 N2 C17 . . . . -178.5(3) ?
C7 Pb1 N2 C17 . . . . 116.6(3) ?
O3 Pb1 N2 C18 . . . . -149.1(3) ?
O2 Pb1 N2 C18 . . . . -77.9(3) ?
O1 Pb1 N2 C18 . . . . -53.4(3) ?
N1 Pb1 N2 C18 . . . . -2.1(3) ?
C7 Pb1 N2 C18 . . . . -67.0(3) ?
O3 Pb1 O1 C7 . . . . 62.2(3) ?
O2 Pb1 O1 C7 . . . . -0.5(3) ?
N2 Pb1 O1 C7 . . . . -31.3(3) ?
N1 Pb1 O1 C7 . . . . -76.1(3) ?
O3 Pb1 O2 C7 . . . . -110.5(3) ?
O1 Pb1 O2 C7 . . . . 0.5(3) ?
N2 Pb1 O2 C7 . . . . 155.0(3) ?
N1 Pb1 O2 C7 . . . . 90.3(3) ?
O2 Pb1 O3 C20 . . . . -157.3(4) ?
O1 Pb1 O3 C20 . . . . 154.8(3) ?
N2 Pb1 O3 C20 . . . . -80.3(3) ?
N1 Pb1 O3 C20 . . . . -126.8(3) ?
C7 Pb1 O3 C20 . . . . 178.1(4) ?
C6 C1 C2 C3 . . . . 1.0(8) ?
C7 C1 C2 C3 . . . . 178.9(5) ?
C1 C2 C3 C4 . . . . -0.2(9) ?
C2 C3 C4 C5 . . . . 0.0(9) ?
C3 C4 C5 C6 . . . . -0.6(9) ?
C4 C5 C6 C1 . . . . 1.4(8) ?
C2 C1 C6 C5 . . . . -1.6(7) ?
C7 C1 C6 C5 . . . . -179.5(4) ?
Pb1 O2 C7 O1 . . . . -1.0(5) ?
Pb1 O2 C7 C1 . . . . 179.3(4) ?
Pb1 O1 C7 O2 . . . . 0.9(5) ?
Pb1 O1 C7 C1 . . . . -179.4(4) ?
C2 C1 C7 O2 . . . . -6.3(7) ?
C6 C1 C7 O2 . . . . 171.7(4) ?
C2 C1 C7 O1 . . . . 174.0(4) ?
C6 C1 C7 O1 . . . . -8.0(7) ?
O3 Pb1 C7 O2 . . . . 63.8(3) ?
O1 Pb1 C7 O2 . . . . -179.1(5) ?
N2 Pb1 C7 O2 . . . . -24.9(3) ?
N1 Pb1 C7 O2 . . . . -81.6(3) ?
O3 Pb1 C7 O1 . . . . -117.1(3) ?
O2 Pb1 C7 O1 . . . . 179.1(5) ?
N2 Pb1 C7 O1 . . . . 154.2(3) ?
N1 Pb1 C7 O1 . . . . 97.5(3) ?
C19 N1 C8 C9 . . . . 0.4(7) ?
Pb1 N1 C8 C9 . . . . -178.7(4) ?
N1 C8 C9 C10 . . . . 0.2(8) ?
C8 C9 C10 C11 . . . . -0.5(7) ?
C9 C10 C11 C19 . . . . 0.2(7) ?
C9 C10 C11 C12 . . . . 178.4(5) ?
C19 C11 C12 C13 . . . . -0.6(7) ?
C10 C11 C12 C13 . . . . -178.6(4) ?
C11 C12 C13 C14 . . . . -1.3(7) ?
C12 C13 C14 C15 . . . . -179.3(4) ?
C12 C13 C14 C18 . . . . 1.7(7) ?
C18 C14 C15 C16 . . . . -0.3(6) ?
C13 C14 C15 C16 . . . . -179.3(4) ?
C14 C15 C16 C17 . . . . 1.5(7) ?
C18 N2 C17 C16 . . . . 1.3(6) ?
Pb1 N2 C17 C16 . . . . 177.8(3) ?
C15 C16 C17 N2 . . . . -2.0(7) ?
C17 N2 C18 C14 . . . . -0.1(6) ?
Pb1 N2 C18 C14 . . . . -176.5(3) ?
C17 N2 C18 C19 . . . . 178.9(4) ?
Pb1 N2 C18 C19 . . . . 2.5(5) ?
C15 C14 C18 N2 . . . . -0.4(6) ?
C13 C14 C18 N2 . . . . 178.6(4) ?
C15 C14 C18 C19 . . . . -179.4(4) ?
C13 C14 C18 C19 . . . . -0.3(6) ?
C8 N1 C19 C11 . . . . -0.7(6) ?
Pb1 N1 C19 C11 . . . . 178.4(3) ?
C8 N1 C19 C18 . . . . 179.6(4) ?
Pb1 N1 C19 C18 . . . . -1.2(5) ?
C10 C11 C19 N1 . . . . 0.4(6) ?
C12 C11 C19 N1 . . . . -177.7(4) ?
C10 C11 C19 C18 . . . . -180.0(4) ?
C12 C11 C19 C18 . . . . 1.9(6) ?
N2 C18 C19 N1 . . . . -0.8(6) ?
C14 C18 C19 N1 . . . . 178.2(4) ?
N2 C18 C19 C11 . . . . 179.6(4) ?
C14 C18 C19 C11 . . . . -1.4(6) ?
Pb1 O3 C20 O4 . . . . 10.0(7) ?
Pb1 O3 C20 C21 . . . . -169.7(4) ?
