#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/03/8100374.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_8100374
loop_
_publ_author_name
'Zhu, Hai-Liang'
'Zhang, Xian-Ming'
'Wang, Xian-Jiang'
'Wang, Da-Qi'
_publ_section_title
;
Crystal structure of 1,2-diaminopropanesilver(I) 3,5-dinitrobenzoate 
--- ammonia (1:1), Ag(C₃H₁₀N₂)(C₇H₃N₂O₆) · NH₃
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              309
_journal_page_last               310
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C10 H16 Ag N5 O6'
_chemical_formula_sum            'C10 H16 Ag N5 O6'
_chemical_formula_weight         410.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.244(12)
_cell_angle_beta                 79.049(15)
_cell_angle_gamma                72.731(8)
_cell_formula_units_Z            2
_cell_length_a                   5.640(5)
_cell_length_b                   9.499(8)
_cell_length_c                   14.844(16)
_cell_measurement_temperature    298(2)
_cell_volume                     744.8(12)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.829
_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 
;
_cod_database_code               8100374
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
Ag1 Ag 0.33444(7) 0.37125(4) 0.36665(3) 0.0769(2) Uani 1 2 i d . . .
N1 N 0.4316(12) 0.6838(5) -0.0454(3) 0.0744(13) Uani 1 2 i d . . .
N2 N -0.3293(8) 0.9602(4) 0.1560(3) 0.0616(10) Uani 1 2 i d . . .
N3 N 0.6594(7) 0.3469(4) 0.4289(3) 0.0531(9) Uani 1 2 i d . . .
N4 N 0.0855(8) 0.3495(5) 0.2788(3) 0.0676(12) Uani 1 2 i d . . .
N5 N 0.8494(8) 0.6451(5) 0.4335(3) 0.0627(10) Uani 1 2 i d D . .
O1 O 0.3069(5) 0.7054(4) 0.3659(2) 0.0657(8) Uani 1 2 i d . . .
O2 O 0.6705(6) 0.6317(4) 0.2700(2) 0.0666(8) Uani 1 2 i d . . .
O3 O 0.6561(10) 0.6213(5) -0.0557(3) 0.0986(14) Uani 1 2 i d . . .
O4 O 0.3126(11) 0.7077(5) -0.1063(3) 0.1061(15) Uani 1 2 i d . . .
O5 O -0.4326(7) 0.9950(4) 0.0895(3) 0.0832(11) Uani 1 2 i d . . .
O6 O -0.4260(7) 1.0005(4) 0.2321(3) 0.0784(10) Uani 1 2 i d . . .
C1 C 0.4361(7) 0.6863(4) 0.2879(3) 0.0511(10) Uani 1 2 i d . . .
C2 C 0.3004(7) 0.7334(4) 0.2071(2) 0.0418(8) Uani 1 2 i d . . .
C3 C 0.4227(9) 0.6891(4) 0.1185(3) 0.0503(10) Uani 1 2 i d . . .
C4 C 0.2967(10) 0.7313(4) 0.0465(3) 0.0580(12) Uani 1 2 i d . . .
C5 C 0.0501(9) 0.8187(5) 0.0558(3) 0.0540(10) Uani 1 2 i d . . .
C6 C -0.0660(8) 0.8640(4) 0.1435(3) 0.0476(9) Uani 1 2 i d . . .
C7 C 0.0528(7) 0.8216(4) 0.2180(3) 0.0427(9) Uani 1 2 i d . . .
C8 C 0.8664(8) 0.2135(5) 0.4032(3) 0.0519(10) Uani 1 2 i d . . .
C9 C -0.0248(9) 0.2241(6) 0.3041(3) 0.0649(13) Uani 1 2 i d . . .
C10 C 0.7728(12) 0.0790(6) 0.4290(5) 0.0686(13) Uani 1 2 i d . . .
H1 H 0.585(9) 0.626(5) 0.111(3) 0.059(12) Uiso 1 2 i d . . .
H2 H -0.046(8) 0.837(4) 0.011(3) 0.045(11) Uiso 1 2 i d . . .
H3 H -0.034(7) 0.851(4) 0.278(3) 0.032(9) Uiso 1 2 i d . . .
H4 H 0.708(8) 0.428(5) 0.422(3) 0.045(11) Uiso 1 2 i d . . .
H5 H 0.620(8) 0.343(4) 0.488(3) 0.047(11) Uiso 1 2 i d . . .
H6 H 0.147(17) 0.330(8) 0.229(6) 0.14(3) Uiso 1 2 i d . . .
H7 H -0.070(11) 0.425(6) 0.266(3) 0.074(14) Uiso 1 2 i d . . .
H8 H 0.998(7) 0.218(3) 0.427(2) 0.026(8) Uiso 1 2 i d . . .
H9 H -0.155(8) 0.224(4) 0.275(3) 0.044(11) Uiso 1 2 i d . . .
H10 H 0.119(9) 0.139(5) 0.291(3) 0.055(12) Uiso 1 2 i d . . .
H11 H 0.926(13) -0.006(7) 0.408(4) 0.11(2) Uiso 1 2 i d . . .
H12 H 0.705(8) 0.092(4) 0.491(3) 0.049(12) Uiso 1 2 i d . . .
H13 H 0.644(12) 0.078(6) 0.400(4) 0.092(19) Uiso 1 2 i d . . .
H14 H 1.019(2) 0.627(5) 0.412(3) 0.100(19) Uiso 1 2 i d D . .
H15 H 0.780(8) 0.661(5) 0.381(2) 0.096(19) Uiso 1 2 i d D . .
H16 H 0.809(9) 0.738(3) 0.455(3) 0.11(2) Uiso 1 2 i d D . .
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
Ag1 N3 2.148(4) . ?
Ag1 N4 2.153(5) . ?
N1 O4 1.190(6) . ?
N1 O3 1.215(7) . ?
N1 C4 1.472(6) . ?
N2 O6 1.203(5) . ?
N2 O5 1.209(5) . ?
N2 C6 1.483(6) . ?
N3 C8 1.471(5) . ?
N4 C9 1.486(7) . ?
O1 C1 1.244(5) . ?
O2 C1 1.255(5) . ?
C1 C2 1.505(6) . ?
C2 C7 1.387(5) . ?
C2 C3 1.406(6) . ?
C3 C4 1.357(7) . ?
C4 C5 1.381(7) . ?
C5 C6 1.389(6) . ?
C6 C7 1.366(6) . ?
C8 C9 1.487(7) 1_655 ?
C8 C10 1.512(7) . ?
C9 C8 1.487(7) 1_455 ?
