#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/01/8100175.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_8100175
loop_
_publ_author_name
'Chen, Zhong-Xi'
'Xia, Fu-Jun'
'Zhu, Nan-Wen'
_publ_section_title
;
Crystal structure of catena-bis(μ-4-nitrophenolato)lead(II), 
Pb(C₆H₄NO₃)₂
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              385
_journal_page_last               386
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C12 H8 N2 O6 Pb'
_chemical_formula_sum            'C12 H8 N2 O6 Pb'
_chemical_formula_weight         483.39
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.908(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1153(12)
_cell_length_b                   15.3621(13)
_cell_length_c                   6.8134(5)
_cell_measurement_temperature    298(2)
_cell_volume                     1580.1(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.032
_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 
;
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100175
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
'-x, -y, -z'
'-x, y, -z-1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z-1/2'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.0000 0.43157(3) 0.2500 0.0291(2) Uani 1 4 e d S . .
O1 O 0.0703(6) 0.5438(6) 0.0877(13) 0.045(2) Uani 1 8 f d . . .
O2 O 0.4085(7) 0.7494(8) 0.3602(17) 0.067(3) Uani 1 8 f d . . .
O3 O 0.3200(7) 0.8565(6) 0.2942(16) 0.060(3) Uani 1 8 f d . . .
N1 N 0.3346(8) 0.7785(7) 0.3094(15) 0.047(3) Uani 1 8 f d . . .
C1 C 0.1324(8) 0.5992(8) 0.1540(16) 0.037(3) Uani 1 8 f d . . .
C2 C 0.2156(10) 0.5696(8) 0.223(2) 0.052(4) Uani 1 8 f d . . .
H2 H 0.2269 0.5101 0.2301 0.063 Uiso 1 8 f calc R . .
C3 C 0.2807(9) 0.6279(10) 0.279(2) 0.054(4) Uani 1 8 f d . . .
H3 H 0.3356 0.6080 0.3281 0.065 Uiso 1 8 f calc R . .
C4 C 0.2643(8) 0.7169(8) 0.2641(17) 0.039(3) Uani 1 8 f d . . .
C5 C 0.1821(9) 0.7465(8) 0.2024(18) 0.043(3) Uani 1 8 f d . . .
H5 H 0.1711 0.8061 0.1970 0.051 Uiso 1 8 f calc R . .
C6 C 0.1150(9) 0.6883(8) 0.1481(18) 0.041(3) Uani 1 8 f d . . .
H6 H 0.0590 0.7086 0.1081 0.049 Uiso 1 8 f calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 O1 2.333(8) 6_556 ?
Pb1 O1 2.333(8) . ?
Pb1 O1 2.514(8) 2_565 ?
Pb1 O1 2.514(8) 5_565 ?
O1 C1 1.329(15) . ?
O1 Pb1 2.514(8) 5_565 ?
O2 N1 1.237(16) . ?
O3 N1 1.222(15) . ?
N1 C4 1.444(15) . ?
C1 C6 1.394(17) . ?
C1 C2 1.396(19) . ?
C2 C3 1.372(19) . ?
C2 H2 0.9300 . ?
C3 C4 1.39(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(19) . ?
C5 C6 1.388(17) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
