#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/40/2014091.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_2014091
loop_
_publ_author_name
'Li, Xin-Hua'
'Yang, Sai-Zhen'
_publ_section_title
;
 Bis(μ-2-sulfonatobenzoato)bis[(1,10-phenanthroline)lead(II)]
 dihydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m423
_journal_page_last               m425
_journal_paper_doi               10.1107/S0108270104016889
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Pb2 (C7 H4 O5 S)2 (C12 H8 N2)2] , 2H2 O'
_chemical_formula_moiety         'C38 H24 N4 O10 Pb2 S2 , 2H2 O'
_chemical_formula_sum            'C38 H28 N4 O12 Pb2 S2'
_chemical_formula_weight         605.57
_chemical_name_systematic
;
Bis(μ-2-sulfobenzenecarboxylato)bis[(1,10-phenanthroline)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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                97.2800(10)
_cell_angle_beta                 100.320(2)
_cell_angle_gamma                91.1500(10)
_cell_formula_units_Z            2
_cell_length_a                   7.3232(7)
_cell_length_b                   10.8613(10)
_cell_length_c                   12.0558(11)
_cell_measurement_reflns_used    3352
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.25
_cell_measurement_theta_min      2.33
_cell_volume                     934.90(15)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP in SHELXTL (Bruker, 2002)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX 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  0.0236
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6867
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.176
_exptl_absorpt_correction_T_max  0.2266
_exptl_absorpt_correction_T_min  0.0341
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.751
_refine_diff_density_min         -0.597
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         3352
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0252
_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)+(0.0341P)²+0.2266P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                3162
_reflns_number_total             3352
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            av1191.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.

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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        934.89(15)
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               2014091
_cod_database_fobs_code          2014091
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_type_symbol
O6 0.8489(9) 0.2030(7) 0.0765(5) 0.0880(18) Uani d . 1 . . O
Pb1 0.79333(2) 0.605327(14) 0.565670(14) 0.02970(8) Uani d . 1 . . Pb
S1 0.48519(17) 0.59828(12) 0.31857(11) 0.0378(3) Uani d . 1 . . S
O1 0.9269(5) 0.5524(3) 0.3827(3) 0.0406(8) Uani d . 1 . . O
O3 0.5714(5) 0.7016(3) 0.4036(3) 0.0421(8) Uani d . 1 . . O
O4 0.5278(5) 0.4785(3) 0.3587(3) 0.0460(9) Uani d . 1 . . O
O5 0.2910(6) 0.6107(5) 0.2809(4) 0.0726(13) Uani d . 1 . . O
N1 1.0069(5) 0.7936(3) 0.5696(3) 0.0329(9) Uani d . 1 . . N
N2 0.7212(5) 0.8020(3) 0.6897(3) 0.0342(9) Uani d . 1 . . N
C1 1.1442(7) 0.7912(5) 0.5113(5) 0.0443(13) Uani d . 1 . . C
H1 1.1553 0.7198 0.4620 0.053 Uiso calc R 1 . . H
C2 1.2725(8) 0.8897(5) 0.5200(5) 0.0497(14) Uani d . 1 . . C
H2 1.3679 0.8834 0.4783 0.060 Uiso calc R 1 . . H
C3 1.2562(8) 0.9946(5) 0.5900(6) 0.0510(14) Uani d . 1 . . C
H3 1.3391 1.0621 0.5958 0.061 Uiso calc R 1 . . H
C4 1.1125(7) 1.0015(5) 0.6545(5) 0.0422(12) Uani d . 1 . . C
C5 1.0891(9) 1.1089(5) 0.7302(6) 0.0633(18) Uani d . 1 . . C
H5 1.1720 1.1770 0.7394 0.076 Uiso calc R 1 . . H
C6 0.9492(10) 1.1136(5) 0.7885(6) 0.0615(17) Uani d . 1 . . C
H6 0.9360 1.1855 0.8367 0.074 Uiso calc R 1 . . H
C7 0.8204(8) 1.0110(5) 0.7784(5) 0.0462(13) Uani d . 1 . . C
C8 0.6732(9) 1.0109(5) 0.8386(5) 0.0552(15) Uani d . 1 . . C
H8 0.6566 1.0801 0.8890 0.066 Uiso calc R 1 . . H
C9 0.5534(9) 0.9084(5) 0.8229(5) 0.0516(14) Uani d . 1 . . C
H9 0.4550 0.9072 0.8620 0.062 Uiso calc R 1 . . H
C10 0.5833(8) 0.8068(5) 0.7471(5) 0.0435(12) Uani d . 1 . . C
H10 0.5013 0.7380 0.7360 0.052 Uiso calc R 1 . . H
C11 0.9914(7) 0.8976(4) 0.6410(4) 0.0352(11) Uani d . 1 . . C
C12 0.8402(7) 0.9032(4) 0.7041(4) 0.0335(10) Uani d . 1 . . C
C13 0.8885(6) 0.4964(5) 0.2831(4) 0.0339(11) Uani d . 1 . . C
C14 0.7694(7) 0.5571(4) 0.1918(4) 0.0326(10) Uani d . 1 . . C
C15 0.5935(7) 0.6029(4) 0.1977(4) 0.0321(10) Uani d . 1 . . C
C16 0.4948(7) 0.6532(5) 0.1064(5) 0.0425(12) Uani d . 1 . . C
H16 0.3752 0.6791 0.1090 0.051 Uiso calc R 1 . . H
C17 0.5708(8) 0.6652(5) 0.0125(5) 0.0487(14) Uani d . 1 . . C
H17 0.5047 0.7019 -0.0470 0.058 Uiso calc R 1 . . H
C18 0.7449(9) 0.6230(6) 0.0059(5) 0.0501(14) Uani d . 1 . . C
H18 0.7962 0.6312 -0.0581 0.060 Uiso calc R 1 . . H
C19 0.8436(8) 0.5685(5) 0.0942(5) 0.0418(12) Uani d . 1 . . C
H19 0.9605 0.5391 0.0887 0.050 Uiso calc R 1 . . H
O2 0.9549(5) 0.3944(3) 0.2529(3) 0.0468(9) Uani d . 1 . . O
H6A 0.885(15) 0.276(11) 0.123(10) 0.14(4) Uiso d . 1 . . H
H6B 0.89(2) 0.136(14) 0.107(13) 0.24(8) Uiso d . 1 . . H
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'
S S 0.1246 0.1234 '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
H6A O6 H6B . . 114(10) ?
N1 Pb1 N2 . . 65.03(12) yes
N1 Pb1 O1 . . 77.52(12) yes
N2 Pb1 O1 . . 137.24(12) yes
N1 Pb1 O2 . 2_766 74.86(12) yes
N2 Pb1 O2 . 2_766 78.37(12) yes
O1 Pb1 O2 . 2_766 111.94(12) yes
N1 Pb1 O3 . . 84.87(12) yes
N2 Pb1 O3 . . 82.95(11) yes
O1 Pb1 O3 . . 73.54(11) yes
O2 Pb1 O3 2_766 . 156.80(12) yes
N1 Pb1 O1 . 2_766 95.32(12) yes
N2 Pb1 O1 . 2_766 127.26(11) yes
O1 Pb1 O1 . 2_766 74.01(12) yes
O2 Pb1 O1 2_766 2_766 48.91(11) yes
O3 Pb1 O1 . 2_766 146.69(10) yes
O5 S1 O4 . . 112.8(3) ?
O5 S1 O3 . . 113.1(3) ?
O4 S1 O3 . . 110.9(2) ?
O5 S1 C15 . . 106.9(3) ?
O4 S1 C15 . . 106.3(2) ?
O3 S1 C15 . . 106.3(2) ?
C13 O1 Pb1 . . 142.7(3) ?
C13 O1 Pb1 . 2_766 90.1(3) ?
Pb1 O1 Pb1 . 2_766 105.99(12) ?
S1 O3 Pb1 . . 107.52(18) ?
C1 N1 C11 . . 117.9(4) ?
C1 N1 Pb1 . . 122.7(3) ?
C11 N1 Pb1 . . 119.2(3) ?
C10 N2 C12 . . 118.4(4) ?
C10 N2 Pb1 . . 123.3(3) ?
C12 N2 Pb1 . . 118.1(3) ?
N1 C1 C2 . . 123.5(5) ?
N1 C1 H1 . . 118.2 ?
C2 C1 H1 . . 118.2 ?
C3 C2 C1 . . 118.9(5) ?
C3 C2 H2 . . 120.6 ?
C1 C2 H2 . . 120.6 ?
C2 C3 C4 . . 119.7(5) ?
C2 C3 H3 . . 120.1 ?
C4 C3 H3 . . 120.1 ?
C11 C4 C3 . . 117.3(5) ?
C11 C4 C5 . . 120.3(5) ?
C3 C4 C5 . . 122.3(5) ?
C6 C5 C4 . . 121.0(5) ?
C6 C5 H5 . . 119.5 ?
C4 C5 H5 . . 119.5 ?
C5 C6 C7 . . 121.5(6) ?
C5 C6 H6 . . 119.2 ?
C7 C6 H6 . . 119.2 ?
C8 C7 C12 . . 117.6(5) ?
C8 C7 C6 . . 123.6(5) ?
C12 C7 C6 . . 118.8(5) ?
C9 C8 C7 . . 120.0(5) ?
C9 C8 H8 . . 120.0 ?
C7 C8 H8 . . 120.0 ?
C8 C9 C10 . . 118.2(5) ?
C8 C9 H9 . . 120.9 ?
C10 C9 H9 . . 120.9 ?
N2 C10 C9 . . 123.9(5) ?
N2 C10 H10 . . 118.0 ?
C9 C10 H10 . . 118.0 ?
N1 C11 C4 . . 122.6(5) ?
N1 C11 C12 . . 118.9(4) ?
C4 C11 C12 . . 118.4(4) ?
N2 C12 C7 . . 121.9(5) ?
N2 C12 C11 . . 118.2(4) ?
C7 C12 C11 . . 119.9(4) ?
O1 C13 O2 . . 123.2(5) ?
O1 C13 C14 . . 119.4(4) ?
O2 C13 C14 . . 117.2(4) ?
C19 C14 C15 . . 118.3(5) ?
C19 C14 C13 . . 116.4(4) ?
C15 C14 C13 . . 125.3(4) ?
C16 C15 C14 . . 119.9(5) ?
C16 C15 S1 . . 117.1(4) ?
C14 C15 S1 . . 123.0(4) ?
C17 C16 C15 . . 120.9(5) ?
C17 C16 H16 . . 119.6 ?
C15 C16 H16 . . 119.6 ?
C16 C17 C18 . . 120.1(5) ?
C16 C17 H17 . . 120.0 ?
C18 C17 H17 . . 120.0 ?
C17 C18 C19 . . 120.1(5) ?
C17 C18 H18 . . 119.9 ?
C19 C18 H18 . . 119.9 ?
C18 C19 C14 . . 120.6(5) ?
C18 C19 H19 . . 119.7 ?
C14 C19 H19 . . 119.7 ?
C13 O2 Pb1 . 2_766 96.6(3) ?
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
O6 H6A . 0.92(12) ?
O6 H6B . 0.88(14) ?
Pb1 N1 . 2.540(4) yes
Pb1 N2 . 2.569(4) yes
Pb1 O1 . 2.574(3) yes
Pb1 O2 2_766 2.595(4) yes
Pb1 O3 . 2.646(4) yes
Pb1 O1 2_766 2.734(3) yes
S1 O5 . 1.428(4) yes
S1 O4 . 1.465(4) yes
S1 O3 . 1.469(4) yes
S1 C15 . 1.785(5) ?
O1 C13 . 1.256(6) ?
O1 Pb1 2_766 2.734(3) ?
N1 C1 . 1.324(6) ?
N1 C11 . 1.350(6) ?
N2 C10 . 1.321(6) ?
N2 C12 . 1.363(6) ?
C1 C2 . 1.391(8) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.351(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.413(8) ?
C3 H3 . 0.9300 ?
C4 C11 . 1.396(7) ?
C4 C5 . 1.421(8) ?
C5 C6 . 1.341(9) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.424(8) ?
C6 H6 . 0.9300 ?
C7 C8 . 1.403(8) ?
C7 C12 . 1.408(7) ?
C8 C9 . 1.376(8) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.388(8) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C12 . 1.450(7) ?
C13 O2 . 1.256(6) ?
C13 C14 . 1.507(7) ?
C14 C19 . 1.400(7) ?
C14 C15 . 1.400(7) ?
C15 C16 . 1.384(7) ?
C16 C17 . 1.367(8) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.376(8) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.380(9) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
O2 Pb1 2_766 2.595(4) ?
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
O6 H6A O2 2_766 0.92(12) 1.88(12) 2.770(7) 163(10)
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_4
_geom_torsion
_geom_torsion_publ_flag
N1 Pb1 O1 C13 . . -148.4(6) ?
N2 Pb1 O1 C13 . . -119.6(5) ?
O2 Pb1 O1 C13 2_766 . 143.8(5) ?
O3 Pb1 O1 C13 . . -60.1(5) ?
O1 Pb1 O1 C13 2_766 . 112.3(6) ?
N1 Pb1 O1 Pb1 . 2_766 99.33(14) yes
N2 Pb1 O1 Pb1 . 2_766 128.15(15) yes
O2 Pb1 O1 Pb1 2_766 2_766 31.51(16) yes
O3 Pb1 O1 Pb1 . 2_766 -172.39(15) yes
O1 Pb1 O1 Pb1 2_766 2_766 0.0 yes
O5 S1 O3 Pb1 . . 136.2(2) ?
O4 S1 O3 Pb1 . . 8.3(2) ?
C15 S1 O3 Pb1 . . -106.9(2) ?
N1 Pb1 O3 S1 . . 142.3(2) ?
N2 Pb1 O3 S1 . . -152.2(2) ?
O1 Pb1 O3 S1 . . 63.87(19) ?
O2 Pb1 O3 S1 2_766 . 171.3(2) ?
O1 Pb1 O3 S1 2_766 . 50.5(3) ?
N2 Pb1 N1 C1 . . -179.4(4) ?
O1 Pb1 N1 C1 . . -20.6(4) ?
O2 Pb1 N1 C1 2_766 . 96.6(4) ?
O3 Pb1 N1 C1 . . -94.8(4) ?
O1 Pb1 N1 C1 2_766 . 51.8(4) ?
N2 Pb1 N1 C11 . . 6.4(3) ?
O1 Pb1 N1 C11 . . 165.2(4) ?
O2 Pb1 N1 C11 2_766 . -77.6(3) ?
O3 Pb1 N1 C11 . . 91.0(3) ?
O1 Pb1 N1 C11 2_766 . -122.4(3) ?
N1 Pb1 N2 C10 . . 179.6(4) ?
O1 Pb1 N2 C10 . . 148.3(4) ?
O2 Pb1 N2 C10 2_766 . -101.9(4) ?
O3 Pb1 N2 C10 . . 92.0(4) ?
O1 Pb1 N2 C10 2_766 . -103.5(4) ?
N1 Pb1 N2 C12 . . -5.9(3) ?
O1 Pb1 N2 C12 . . -37.1(4) ?
O2 Pb1 N2 C12 2_766 . 72.7(3) ?
O3 Pb1 N2 C12 . . -93.5(3) ?
O1 Pb1 N2 C12 2_766 . 71.1(4) ?
C11 N1 C1 C2 . . 0.1(8) ?
Pb1 N1 C1 C2 . . -174.2(4) ?
N1 C1 C2 C3 . . -1.0(9) ?
C1 C2 C3 C4 . . 1.3(9) ?
C2 C3 C4 C11 . . -0.7(8) ?
C2 C3 C4 C5 . . 179.5(6) ?
C11 C4 C5 C6 . . -1.1(10) ?
C3 C4 C5 C6 . . 178.7(6) ?
C4 C5 C6 C7 . . 0.9(11) ?
C5 C6 C7 C8 . . 179.3(7) ?
C5 C6 C7 C12 . . -0.9(10) ?
C12 C7 C8 C9 . . -0.7(9) ?
C6 C7 C8 C9 . . 179.2(6) ?
C7 C8 C9 C10 . . 0.2(9) ?
C12 N2 C10 C9 . . -1.0(8) ?
Pb1 N2 C10 C9 . . 173.5(4) ?
C8 C9 C10 N2 . . 0.7(9) ?
C1 N1 C11 C4 . . 0.5(7) ?
Pb1 N1 C11 C4 . . 175.0(4) ?
C1 N1 C11 C12 . . 178.9(5) ?
Pb1 N1 C11 C12 . . -6.6(6) ?
C3 C4 C11 N1 . . -0.2(8) ?
C5 C4 C11 N1 . . 179.5(5) ?
C3 C4 C11 C12 . . -178.6(5) ?
C5 C4 C11 C12 . . 1.1(8) ?
C10 N2 C12 C7 . . 0.5(7) ?
Pb1 N2 C12 C7 . . -174.4(4) ?
C10 N2 C12 C11 . . -180.0(4) ?
Pb1 N2 C12 C11 . . 5.2(6) ?
C8 C7 C12 N2 . . 0.4(8) ?
C6 C7 C12 N2 . . -179.5(5) ?
C8 C7 C12 C11 . . -179.2(5) ?
C6 C7 C12 C11 . . 0.9(8) ?
N1 C11 C12 N2 . . 0.9(7) ?
C4 C11 C12 N2 . . 179.4(5) ?
N1 C11 C12 C7 . . -179.6(5) ?
C4 C11 C12 C7 . . -1.1(7) ?
Pb1 O1 C13 O2 . . -106.1(6) ?
Pb1 O1 C13 O2 2_766 . 11.1(5) ?
Pb1 O1 C13 C14 . . 79.0(7) ?
Pb1 O1 C13 C14 2_766 . -163.8(4) ?
O1 C13 C14 C19 . . 125.3(5) ?
O2 C13 C14 C19 . . -49.9(6) ?
O1 C13 C14 C15 . . -54.2(7) ?
O2 C13 C14 C15 . . 130.6(5) ?
C19 C14 C15 C16 . . 2.6(7) ?
C13 C14 C15 C16 . . -177.8(5) ?
C19 C14 C15 S1 . . -178.3(4) ?
C13 C14 C15 S1 . . 1.2(7) ?
O5 S1 C15 C16 . . 19.0(5) ?
O4 S1 C15 C16 . . 139.8(4) ?
O3 S1 C15 C16 . . -102.0(4) ?
O5 S1 C15 C14 . . -160.1(4) ?
O4 S1 C15 C14 . . -39.4(5) ?
O3 S1 C15 C14 . . 78.9(4) ?
C14 C15 C16 C17 . . -3.7(8) ?
S1 C15 C16 C17 . . 177.2(4) ?
C15 C16 C17 C18 . . 2.4(9) ?
C16 C17 C18 C19 . . -0.1(9) ?
C17 C18 C19 C14 . . -0.9(9) ?
C15 C14 C19 C18 . . -0.4(8) ?
C13 C14 C19 C18 . . -179.9(5) ?
O1 C13 O2 Pb1 . 2_766 -11.8(5) ?
C14 C13 O2 Pb1 . 2_766 163.3(4) ?
