#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012960.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_2012960
loop_
_publ_author_name
'Tong, Ming-Liang'
'Chen, Xiao-Ming'
'Ng, Seik Weng'
_publ_section_title
;
Polymeric (3-amino-2-chloropyridine)nitratosilver(I)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              m481
_journal_page_last               m482
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ag (C5 H5 Cl N2)] N O3'
_chemical_formula_moiety         'C5 H5 Ag Cl N2 , N O3'
_chemical_formula_sum            'C5 H5 Ag Cl N3 O3'
_chemical_formula_weight         298.44
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.343(5)
_cell_length_b                   7.832(2)
_cell_length_c                   8.270(2)
_cell_measurement_temperature    298(2)
_cell_volume                     864.2(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.294
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               2012960
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -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
Ag 0.76829(4) 0.90000(6) 0.19699(6) 0.04304(16) Uani d . 1 . . Ag
Cl1 0.75176(14) 0.9794(3) 0.5906(2) 0.0561(5) Uani d . 1 . . Cl
O1 0.6048(5) 0.8701(6) -0.0330(7) 0.0621(15) Uani d . 1 . . O
O2 0.7137(4) 0.6722(8) 0.0026(7) 0.0710(18) Uani d . 1 . . O
O3 0.5947(5) 0.6321(8) -0.1625(8) 0.077(2) Uani d . 1 . . O
N1 0.6560(4) 1.0693(6) 0.3300(6) 0.0389(13) Uani d . 1 . . N
N2 0.6022(4) 1.2019(8) 0.7496(7) 0.0382(13) Uani d D 1 . . N
H2N1 0.619(4) 1.109(5) 0.797(7) 0.046 Uiso d D 1 . . H
H2N2 0.552(3) 1.244(7) 0.799(7) 0.046 Uiso d D 1 . . H
N3 0.6378(4) 0.7258(8) -0.0638(7) 0.0410(13) Uani d . 1 . . N
C1 0.5843(6) 1.1559(10) 0.2502(9) 0.0466(18) Uani d . 1 . . C
H1 0.5823 1.1480 0.1380 0.056 Uiso calc R 1 . . H
C2 0.5134(6) 1.2562(10) 0.3268(8) 0.0513(19) Uani d . 1 . . C
H2 0.4652 1.3150 0.2678 0.062 Uiso calc R 1 . . H
C3 0.5163(5) 1.2667(10) 0.4939(9) 0.0436(16) Uani d . 1 . . C
H3 0.4684 1.3307 0.5486 0.052 Uiso calc R 1 . . H
C4 0.5896(5) 1.1829(8) 0.5793(8) 0.0331(13) Uani d . 1 . . C
C5 0.6575(4) 1.0849(8) 0.4903(7) 0.0330(12) Uani d . 1 . . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ag 0.0490(3) 0.0409(2) 0.0393(2) 0.0027(2) -0.0012(2) -0.0025(2)
Cl1 0.0584(11) 0.0625(10) 0.0475(9) 0.0315(10) -0.0048(8) -0.0042(8)
O1 0.087(4) 0.041(3) 0.059(3) 0.017(3) 0.008(3) -0.011(3)
O2 0.057(3) 0.090(4) 0.066(3) 0.031(3) -0.031(3) -0.022(4)
O3 0.064(3) 0.074(4) 0.092(5) 0.021(3) -0.043(3) -0.041(4)
N1 0.045(3) 0.033(3) 0.039(3) -0.001(2) -0.002(2) -0.009(2)
N2 0.040(3) 0.037(3) 0.037(3) 0.007(3) 0.009(2) 0.000(3)
N3 0.040(3) 0.045(3) 0.037(3) 0.003(3) -0.004(2) -0.002(3)
C1 0.053(4) 0.045(4) 0.042(3) 0.001(3) -0.014(3) -0.006(3)
C2 0.047(4) 0.050(4) 0.057(4) 0.010(4) -0.019(4) 0.002(4)
C3 0.032(3) 0.040(4) 0.059(4) 0.002(3) -0.002(3) -0.012(4)
C4 0.034(3) 0.026(3) 0.038(3) -0.006(3) -0.001(3) 0.000(3)
C5 0.029(3) 0.028(3) 0.042(3) 0.003(3) -0.003(2) 0.001(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
Ag N1 . 2.283(5) yes
Ag N2 3_646 2.364(6) yes
Ag O2 . 2.510(6) yes
Ag O3 3_655 2.594(6) yes
Cl1 C5 . 1.718(6) ?
O1 N3 . 1.240(7) ?
O2 N3 . 1.226(7) ?
O2 Ag 3_645 2.707(6) yes
O3 N3 . 1.239(8) ?
N1 C5 . 1.332(8) ?
N1 C1 . 1.346(9) ?
N2 C4 . 1.427(9) ?
N2 H2N1 . 0.86(5) ?
N2 H2N2 . 0.85(5) ?
C1 C2 . 1.383(10) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.385(9) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.373(10) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.397(9) ?