#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/00/7100046.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_7100046
loop_
_publ_author_name
'Dario Braga'
'Marco Curzi'
'F. Grepioni'
'Marco Polito'
_publ_section_title
;
Mechanochemical and Solution Reactions Between
AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination
Network {Ag[H2NC6H10NH2]+}
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b503404c
_journal_year                    2005
_chemical_formula_sum            'C8 H23 Ag N2 O5'
_chemical_formula_weight         335.15
_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                105.91(3)
_cell_angle_beta                 97.78(3)
_cell_angle_gamma                99.37(4)
_cell_formula_units_Z            2
_cell_length_a                   6.108(4)
_cell_length_b                   10.180(4)
_cell_length_c                   11.849(4)
_cell_measurement_temperature    293(2)
_cell_volume                     686.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.622
_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               7100046
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.1268(6) -0.0257(3) 0.3785(3) 0.0386(7) Uani 1 1 d . . .
H5 H -0.2404 -0.1091 0.3710 0.046 Uiso 1 1 calc R . .
C2 C 0.1046(7) -0.0589(4) 0.3986(3) 0.0482(8) Uani 1 1 d . . .
H7A H 0.2180 0.0202 0.3994 0.058 Uiso 1 1 calc R . .
H7B H 0.1139 -0.1385 0.3334 0.058 Uiso 1 1 calc R . .
C3 C -0.1530(6) 0.0919(4) 0.4826(3) 0.0462(8) Uani 1 1 d . . .
H6A H -0.3057 0.1074 0.4697 0.055 Uiso 1 1 calc R . .
H6B H -0.0497 0.1770 0.4868 0.055 Uiso 1 1 calc R . .
C4 C 0.4162(5) 0.4754(3) 0.3719(3) 0.0323(6) Uani 1 1 d . . .
H3 H 0.5060 0.5571 0.3589 0.039 Uiso 1 1 calc R . .
C5 C 0.5752(5) 0.3910(4) 0.4139(3) 0.0384(7) Uani 1 1 d . . .
H8A H 0.6699 0.3651 0.3555 0.046 Uiso 1 1 calc R . .
H8B H 0.4879 0.3058 0.4207 0.046 Uiso 1 1 calc R . .
C6 C 0.2761(5) 0.5251(4) 0.4653(3) 0.0377(7) Uani 1 1 d . . .
H4A H 0.1781 0.4449 0.4742 0.045 Uiso 1 1 calc R . .
H4B H 0.1814 0.5826 0.4385 0.045 Uiso 1 1 calc R . .
O3 O 0.8969(5) 0.1529(3) 0.0216(3) 0.0506(6) Uani 1 1 d . . .
O4 O -0.1126(5) 0.5392(3) 0.2033(3) 0.0647(8) Uani 1 1 d . . .
O5 O 0.3984(5) 0.0675(4) 0.1577(3) 0.0536(7) Uani 1 1 d . . .
N1 N -0.1639(6) 0.0115(3) 0.2660(3) 0.0438(7) Uani 1 1 d . . .
N2 N 0.2633(5) 0.3909(3) 0.2585(3) 0.0360(6) Uani 1 1 d . . .
H8 H -0.1495 0.6231 0.1644 0.050 Uiso 1 1 d . . .
H7 H -0.1796 0.4784 0.1649 0.147 Uiso 1 1 d . . .
H1 H -0.153(7) -0.066(5) 0.210(4) 0.051(11) Uiso 1 1 d . . .
H2 H -0.317(9) 0.018(5) 0.252(4) 0.066(13) Uiso 1 1 d . . .
H3' H 0.347(8) 0.377(5) 0.210(4) 0.056(13) Uiso 1 1 d . . .
H4 H 0.180(6) 0.433(4) 0.238(3) 0.028(9) Uiso 1 1 d . . .
H5' H 0.308(10) -0.002(7) 0.103(5) 0.091(19) Uiso 1 1 d . . .
H6 H 0.449(11) 0.126(7) 0.135(6) 0.10(2) Uiso 1 1 d . . .
H9 H 0.799(10) 0.197(6) 0.031(5) 0.088(19) Uiso 1 1 d . . .
H10 H 1.013(10) 0.193(5) 0.008(5) 0.075(16) Uiso 1 1 d . . .
Ag1 Ag 0.06050(4) 0.19287(3) 0.25344(2) 0.04162(11) Uani 1 1 d . . .
C7 C 0.4049(7) 0.6671(5) 1.1217(4) 0.0559(10) Uani 1 1 d . . .
H1A H 0.4880 0.6335 1.1787 0.084 Uiso 1 1 calc R . .
H1B H 0.2741 0.5967 1.0774 0.084 Uiso 1 1 calc R . .
H1C H 0.3583 0.7500 1.1628 0.084 Uiso 1 1 calc R . .
C8 C 0.5541(5) 0.7004(3) 1.0363(3) 0.0370(7) Uani 1 1 d . . .
O1 O 0.4575(4) 0.7049(3) 0.9371(2) 0.0441(5) Uani 1 1 d . . .
O2 O 0.7632(4) 0.7222(3) 1.0692(2) 0.0524(6) Uani 1 1 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
C1 N1 1.482(4) . ?
C1 C2 1.509(5) . ?
C1 C3 1.512(5) . ?
C2 C3 1.537(5) 2_556 ?
C3 C2 1.537(5) 2_556 ?
C4 N2 1.477(4) . ?
C4 C5 1.518(4) . ?
C4 C6 1.517(4) . ?
C5 C6 1.526(5) 2_666 ?
C6 C5 1.526(5) 2_666 ?
N1 Ag1 2.166(3) . ?
N2 Ag1 2.168(3) . ?
C7 C8 1.519(5) . ?
C8 O2 1.248(4) . ?
C8 O1 1.258(4) . ?
