#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/00/7100045.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_7100045
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 H25 Ag N2 O6'
_chemical_formula_weight         353.17
_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                95.35(3)
_cell_angle_beta                 90.898(17)
_cell_angle_gamma                108.90(2)
_cell_formula_units_Z            4
_cell_length_a                   8.7808(13)
_cell_length_b                   12.810(4)
_cell_length_c                   13.706(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1450.5(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.617
_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               7100045
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 0.8811(3) 0.0844(2) 0.7778(2) 0.0324(6) Uani 1 1 d . . .
H1A H 0.8950 0.1268 0.8425 0.039 Uiso 1 1 calc R . .
C1A C 0.8459(5) 0.3747(3) 0.9129(3) 0.0680(11) Uani 1 1 d . . .
H11A H 0.8735 0.4481 0.8927 0.102 Uiso 1 1 calc R . .
H12A H 0.8730 0.3268 0.8631 0.102 Uiso 1 1 calc R . .
H13A H 0.9047 0.3770 0.9731 0.102 Uiso 1 1 calc R . .
C2 C 0.9399(3) 0.1656(3) 0.7016(2) 0.0394(7) Uani 1 1 d . . .
H2A H 0.8792 0.2169 0.7046 0.047 Uiso 1 1 calc R . .
H2B H 0.9204 0.1252 0.6367 0.047 Uiso 1 1 calc R . .
C2A C 0.6679(4) 0.3311(3) 0.9281(2) 0.0412(7) Uani 1 1 d . . .
C3 C 0.1200(3) 0.2311(2) 0.7180(2) 0.0386(7) Uani 1 1 d . . .
H3A H 0.1540 0.2800 0.6669 0.046 Uiso 1 1 calc R . .
H3B H 0.1386 0.2764 0.7806 0.046 Uiso 1 1 calc R . .
C3A C -0.6745(4) 0.6630(3) 0.4361(2) 0.0405(7) Uani 1 1 d . . .
C4 C 0.2187(3) 0.1532(2) 0.7170(2) 0.0309(6) Uani 1 1 d . . .
H4A H 0.2012 0.1102 0.6524 0.037 Uiso 1 1 calc R . .
C4A C -0.8547(4) 0.6074(3) 0.4250(3) 0.0618(10) Uani 1 1 d . . .
H41A H -0.8785 0.5295 0.4061 0.093 Uiso 1 1 calc R . .
H42A H -0.8984 0.6394 0.3756 0.093 Uiso 1 1 calc R . .
H43A H -0.9018 0.6178 0.4864 0.093 Uiso 1 1 calc R . .
C5 C 0.1632(4) 0.0731(3) 0.7935(2) 0.0400(7) Uani 1 1 d . . .
H5A H 0.1841 0.1139 0.8583 0.048 Uiso 1 1 calc R . .
H5B H 0.2237 0.0217 0.7899 0.048 Uiso 1 1 calc R . .
C6 C 0.9836(4) 0.0086(3) 0.7780(3) 0.0436(7) Uani 1 1 d . . .
H6A H 0.9649 -0.0379 0.7160 0.052 Uiso 1 1 calc R . .
H6B H 0.9505 -0.0397 0.8298 0.052 Uiso 1 1 calc R . .
C7 C 1.2378(3) 0.6968(2) 0.7236(2) 0.0321(6) Uani 1 1 d . . .
H7A H 1.2131 0.6618 0.6559 0.038 Uiso 1 1 calc R . .
C8 C 1.2179(3) 0.6062(3) 0.7913(2) 0.0379(7) Uani 1 1 d . . .
H8A H 1.1090 0.5542 0.7824 0.045 Uiso 1 1 calc R . .
H8B H 1.2337 0.6391 0.8589 0.045 Uiso 1 1 calc R . .
C9 C 1.4120(3) 0.7744(2) 0.7314(2) 0.0354(6) Uani 1 1 d . . .
H9A H 1.4354 0.8136 0.7968 0.042 Uiso 1 1 calc R . .
H9B H 1.4251 0.8290 0.6849 0.042 Uiso 1 1 calc R . .
C10 C 0.5108(3) 0.6230(2) 0.7799(2) 0.0318(6) Uani 1 1 d . . .
H10 H 0.5327 0.6590 0.8473 0.038 Uiso 1 1 calc R . .
C11 C 0.3378(4) 0.5438(2) 0.7711(2) 0.0382(7) Uani 1 1 d . . .
H11A' H 0.3250 0.4891 0.8175 0.046 Uiso 1 1 calc R . .
H11B H 0.3154 0.5048 0.7056 0.046 Uiso 1 1 calc R . .
C12 C 1.5319(3) 0.7121(2) 0.7111(2) 0.0376(6) Uani 1 1 d . . .
H12A' H 1.5156 0.6784 0.6438 0.045 Uiso 1 1 calc R . .
H12B H 1.6409 0.7639 0.7197 0.045 Uiso 1 1 calc R . .
Ag2 Ag 0.87461(3) 0.66666(2) 0.755311(18) 0.04283(11) Uani 1 1 d . . .
Ag1 Ag 0.55027(3) 0.11772(2) 0.745458(19) 0.04523(11) Uani 1 1 d . . .
N1 N 0.7082(3) 0.0225(2) 0.75825(19) 0.0385(6) Uani 1 1 d . . .
N2 N 0.3936(3) 0.2151(2) 0.73288(19) 0.0405(6) Uani 1 1 d . . .
N3 N 1.1249(3) 0.7584(2) 0.74690(18) 0.0382(5) Uani 1 1 d . . .
N4 N 0.6297(3) 0.5634(2) 0.75928(19) 0.0384(6) Uani 1 1 d . . .
O1 O 0.5858(3) 0.3913(2) 0.9113(2) 0.0607(7) Uani 1 1 d . . .
O5A O 0.2250(3) 0.8998(2) 0.55801(19) 0.0563(6) Uani 1 1 d . . .
O2 O 0.6113(3) 0.23634(19) 0.95467(19) 0.0557(6) Uani 1 1 d . . .
O8A O -0.3263(3) 0.91084(19) 0.54120(18) 0.0540(6) Uani 1 1 d . . .
O3 O -0.5854(3) 0.6059(2) 0.4168(2) 0.0570(6) Uani 1 1 d . . .
O4A O 0.7858(3) 0.1225(2) 0.04135(18) 0.0525(6) Uani 1 1 d . . .
O4 O -0.6226(3) 0.7655(2) 0.4615(2) 0.0584(6) Uani 1 1 d . . .
O2A O 1.1201(3) 0.2063(2) 0.0606(2) 0.0601(7) Uani 1 1 d . . .
O3A O 1.3419(3) 0.09510(19) 0.04442(18) 0.0508(6) Uani 1 1 d . . .
O7A O -0.2942(3) 0.5948(2) 0.4876(2) 0.0642(7) Uani 1 1 d . . .
O6A O -0.1026(3) 0.8037(2) 0.5619(2) 0.0718(8) Uani 1 1 d . . .
O1A O 1.2932(3) 0.3913(2) -0.0186(2) 0.0636(7) Uani 1 1 d . . .
H3 H 0.4091 0.2590 0.7879 0.072 Uiso 1 1 d . . .
H4 H 0.4274 0.2524 0.6818 0.065 Uiso 1 1 d . . .
H1 H 0.6687 -0.0170 0.8006 0.038 Uiso 1 1 d . . .
H2 H 0.6908 -0.0155 0.7076 0.054 Uiso 1 1 d . . .
H7 H 0.6299 0.5144 0.8043 0.059 Uiso 1 1 d . . .
H8 H 0.6143 0.5213 0.6929 0.068 Uiso 1 1 d . . .
H6 H 1.1351 0.7955 0.7102 0.048 Uiso 1 1 d . . .
H5 H 1.1600 0.7897 0.7979 0.040 Uiso 1 1 d . . .
H20B H 1.0443 0.1954 0.0580 0.079 Uiso 1 1 d . . .
H20A H 1.1526 0.2590 0.0241 0.067 Uiso 1 1 d . . .
H70A H -0.3186 0.5258 0.5160 0.128 Uiso 1 1 d . . .
H70B H -0.3905 0.5927 0.4740 0.099 Uiso 1 1 d . . .
H30A H 1.4444 0.1555 0.0199 0.082 Uiso 1 1 d . . .
H30B H 1.2787 0.1257 0.0479 0.085 Uiso 1 1 d . . .
H40A H 0.7296 0.1583 0.0179 0.050 Uiso 1 1 d . . .
H40B H 0.7381 0.0469 0.0149 0.050 Uiso 1 1 d . . .
H50A H 0.2544 0.8579 0.5308 0.050 Uiso 1 1 d . . .
H50B H 0.1296 0.8739 0.5539 0.050 Uiso 1 1 d . . .
H10A H 1.3271 0.4595 0.0151 0.050 Uiso 1 1 d . . .
H10B H 1.3866 0.3866 -0.0362 0.050 Uiso 1 1 d . . .
H80B H -0.2984 0.9606 0.5145 0.050 Uiso 1 1 d . . .
H80A H -0.4184 0.8594 0.5133 0.050 Uiso 1 1 d . . .
H60B H -0.1840 0.8288 0.5686 0.050 Uiso 1 1 d . . .
H60A H -0.1570 0.7382 0.5256 0.050 Uiso 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 1.475(4) . ?
C1 C2 1.521(4) . ?
C1 C6 1.523(4) . ?
C1A C2A 1.505(5) . ?
C2 C3 1.532(4) 1_655 ?
C2A O2 1.245(4) . ?
C2A O1 1.247(4) . ?
C3 C4 1.518(4) . ?
C3 C2 1.532(4) 1_455 ?
C3A O3 1.248(4) . ?
C3A O4 1.255(4) . ?
C3A C4A 1.508(5) . ?
C4 N2 1.485(3) . ?
C4 C5 1.511(4) . ?
C5 C6 1.525(4) 1_455 ?
C6 C5 1.525(4) 1_655 ?
C7 N3 1.475(4) . ?
C7 C8 1.521(4) . ?
C7 C9 1.526(4) . ?
C8 C11 1.530(4) 1_655 ?
C9 C12 1.528(4) . ?
C10 N4 1.496(4) . ?
C10 C12 1.515(4) 1_455 ?
C10 C11 1.524(4) . ?
C11 C8 1.530(4) 1_455 ?
C12 C10 1.515(4) 1_655 ?
Ag2 N4 2.134(3) . ?
Ag2 N3 2.141(3) . ?
Ag1 N1 2.137(3) . ?
Ag1 N2 2.150(3) . ?
