#------------------------------------------------------------------------------
#$Date: 2018-06-07 08:00:31 +0300 (Thu, 07 Jun 2018) $
#$Revision: 208162 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/01/8100119.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_8100119
loop_
_publ_author_name
'Zhu, Nan-Wen'
'An, Ping'
'Wang, Xin-Ze'
_publ_section_title
;
Crystal structure of bis[(μ-4-nitrophenolato)(nitrato)-(1,10-phenanthroline)
lead(II)], [Pb(OC₆H₄NO₂)(C₁₂H₈N₂)(NO₃)]₂
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              271
_journal_page_last               272
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C36 H24 N8 O12 Pb2'
_chemical_formula_sum            'C36 H24 N8 O12 Pb2'
_chemical_formula_weight         1175.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                97.154(5)
_cell_angle_beta                 106.891(4)
_cell_angle_gamma                109.874(4)
_cell_formula_units_Z            1
_cell_length_a                   8.624(3)
_cell_length_b                   10.424(3)
_cell_length_c                   11.295(4)
_cell_measurement_temperature    298(2)
_cell_volume                     885.2(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.204
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07

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 
;
_cod_database_code               8100119
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
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 0.818090(19) 0.002182(15) 0.082839(13) 0.03583(8) Uani 1 2 i d . . .
O1 O 0.5485(6) -0.2289(4) -0.0682(4) 0.0807(13) Uani 1 2 i d . . .
O2 O 0.4906(6) -0.0727(4) -0.1568(4) 0.0731(12) Uani 1 2 i d . . .
O3 O 0.3711(6) -0.2919(4) -0.2597(4) 0.0724(11) Uani 1 2 i d . . .
O4 O 1.0399(4) 0.1333(3) -0.0170(3) 0.0417(7) Uani 1 2 i d . . .
O5 O 1.0545(6) 0.6796(4) -0.1942(4) 0.0649(10) Uani 1 2 i d . . .
O6 O 0.7998(6) 0.5289(5) -0.3263(4) 0.0814(13) Uani 1 2 i d . . .
N1 N 1.0804(5) 0.0572(4) 0.2864(3) 0.0341(8) Uani 1 2 i d . . .
N2 N 0.7677(4) -0.1667(4) 0.2298(3) 0.0338(7) Uani 1 2 i d . . .
N3 N 0.4676(5) -0.1989(4) -0.1631(3) 0.0429(9) Uani 1 2 i d . . .
N4 N 0.9392(6) 0.5596(4) -0.2371(4) 0.0487(10) Uani 1 2 i d . . .
C1 C 1.2326(6) 0.1676(5) 0.3156(5) 0.0441(11) Uani 1 2 i d . . .
H1 H 1.2395 0.2308 0.2641 0.053 Uiso 1 2 i calc R . .
C2 C 1.3812(6) 0.1914(5) 0.4204(5) 0.0503(12) Uani 1 2 i d . . .
H2 H 1.4848 0.2700 0.4388 0.060 Uiso 1 2 i calc R . .
C3 C 1.3742(6) 0.1000(6) 0.4949(5) 0.0510(13) Uani 1 2 i d . . .
H3 H 1.4733 0.1154 0.5650 0.061 Uiso 1 2 i calc R . .
C4 C 1.2177(6) -0.0185(5) 0.4669(4) 0.0390(10) Uani 1 2 i d . . .
C5 C 1.2042(7) -0.1229(6) 0.5396(4) 0.0484(12) Uani 1 2 i d . . .
H5 H 1.3013 -0.1112 0.6098 0.058 Uiso 1 2 i calc R . .
C6 C 1.0543(7) -0.2364(5) 0.5080(4) 0.0474(12) Uani 1 2 i d . . .
H6 H 1.0492 -0.3036 0.5554 0.057 Uiso 1 2 i calc R . .
C7 C 0.9016(6) -0.2559(5) 0.4022(4) 0.0382(10) Uani 1 2 i d . . .
C8 C 0.7418(7) -0.3726(5) 0.3660(5) 0.0505(12) Uani 1 2 i d . . .
H8 H 0.7323 -0.4432 0.4097 0.061 Uiso 1 2 i calc R . .
C9 C 0.6009(7) -0.3826(5) 0.2669(5) 0.0498(12) Uani 1 2 i d . . .
H9 H 0.4934 -0.4590 0.2430 0.060 Uiso 1 2 i calc R . .
C10 C 0.6188(6) -0.2772(5) 0.2011(4) 0.0443(11) Uani 1 2 i d . . .
H10 H 0.5208 -0.2851 0.1336 0.053 Uiso 1 2 i calc R . .
C11 C 0.9085(5) -0.1548(4) 0.3294(4) 0.0305(8) Uani 1 2 i d . . .
C12 C 1.0720(5) -0.0356(4) 0.3616(4) 0.0316(9) Uani 1 2 i d . . .
C13 C 1.0155(6) 0.2374(4) -0.0676(4) 0.0330(9) Uani 1 2 i d . . .
C14 C 1.1557(6) 0.3675(4) -0.0387(4) 0.0374(9) Uani 1 2 i d . . .
H14 H 1.2664 0.3827 0.0182 0.045 Uiso 1 2 i calc R . .
C15 C 1.1319(6) 0.4743(4) -0.0940(4) 0.0374(10) Uani 1 2 i d . . .
H15 H 1.2254 0.5609 -0.0744 0.045 Uiso 1 2 i calc R . .
C16 C 0.9674(6) 0.4498(4) -0.1783(4) 0.0362(9) Uani 1 2 i d . . .
C17 C 0.8254(6) 0.3224(5) -0.2075(4) 0.0395(10) Uani 1 2 i d . . .
H17 H 0.7150 0.3080 -0.2643 0.047 Uiso 1 2 i calc R . .
C18 C 0.8495(6) 0.2183(4) -0.1518(4) 0.0368(9) Uani 1 2 i d . . .
H18 H 0.7542 0.1332 -0.1701 0.044 Uiso 1 2 i 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 O4 2.343(3) 2_755 ?
Pb1 N1 2.550(4) . ?
Pb1 O4 2.580(3) . ?
Pb1 N2 2.582(3) . ?
Pb1 O1 2.642(4) . ?
O1 N3 1.237(5) . ?
O2 N3 1.252(5) . ?
O3 N3 1.217(5) . ?
O4 C13 1.337(5) . ?
O4 Pb1 2.343(3) 2_755 ?
O5 N4 1.230(6) . ?
O6 N4 1.231(6) . ?
N1 C1 1.335(6) . ?
N1 C12 1.362(5) . ?
N2 C10 1.320(6) . ?
N2 C11 1.351(5) . ?
N4 C16 1.448(5) . ?
C1 C2 1.390(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.345(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.403(7) . ?
C3 H3 0.9300 . ?
C4 C12 1.397(6) . ?
C4 C5 1.436(7) . ?
C5 C6 1.336(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.431(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.398(7) . ?
C7 C11 1.411(6) . ?
C8 C9 1.355(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.391(7) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.436(6) . ?
C13 C14 1.398(6) . ?
C13 C18 1.400(6) . ?
C14 C15 1.388(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.376(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.387(6) . ?
C17 C18 1.365(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
