#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:00:15 +0100 (mar 22 de mar de 2016) $
#$Revision: 179044 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/06/4300614.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_4300614
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051659e
_journal_year                    2006
_chemical_formula_sum            'C14 H16 Ag F3 N4 O2'
_chemical_formula_weight         437.18
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.986(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4623(14)
_cell_length_b                   18.273(2)
_cell_length_c                   7.4106(8)
_cell_measurement_temperature    273(2)
_cell_volume                     1685.2(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.723
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4300614
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'
'-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_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
Ag1 Ag 0.0000 0.32346(2) 0.5000 0.05206(16) Uani 1 2 d S . .
C8 C 0.3315(3) 0.5000 0.2768(5) 0.0308(9) Uani 0.62(3) 2 d SP . 1
F1 F 0.3850(4) 0.4431(3) 0.3271(9) 0.095(7) Uani 0.62(3) 1 d P . 1
F2 F 0.3332(4) 0.5000 0.0960(7) 0.075(5) Uani 0.62(3) 2 d SP . 1
C8A C 0.3315(3) 0.5000 0.2768(5) 0.0308(9) Uani 0.38(3) 2 d SP . 2
F1A F 0.4075(7) 0.5000 0.4092(14) 0.094(10) Uani 0.38(3) 2 d SP . 2
F2A F 0.3543(6) 0.4436(5) 0.1859(15) 0.093(12) Uani 0.38(3) 1 d P . 2
O1 O 0.2132(2) 0.5000 0.5113(4) 0.0604(10) Uani 1 2 d S . .
O2 O 0.1428(2) 0.5000 0.2281(4) 0.0365(7) Uani 1 2 d S . .
C1 C 0.2083(3) 0.28263(19) 0.2929(5) 0.0497(9) Uani 1 1 d . . .
H1 H 0.2177 0.3326 0.3118 0.060 Uiso 1 1 calc R . .
C2 C 0.2906(3) 0.2440(2) 0.2227(4) 0.0525(9) Uani 1 1 d . . .
H2 H 0.3537 0.2676 0.1949 0.063 Uiso 1 1 calc R . .
C3 C 0.2794(3) 0.1694(2) 0.1933(4) 0.0499(9) Uani 1 1 d . . .
C4 C 0.1830(2) 0.13793(18) 0.2366(4) 0.0438(8) Uani 1 1 d . . .
H4 H 0.1716 0.0881 0.2188 0.053 Uiso 1 1 calc R . .
C5 C 0.1043(2) 0.18062(17) 0.3059(4) 0.0403(7) Uani 1 1 d . . .
H5 H 0.0401 0.1583 0.3335 0.048 Uiso 1 1 calc R . .
C6 C 0.3693(3) 0.1247(3) 0.1254(6) 0.0780(14) Uani 1 1 d . . .
H6A H 0.3406 0.0850 0.0509 0.094 Uiso 1 1 calc R . .
H6B H 0.4140 0.1550 0.0522 0.094 Uiso 1 1 calc R . .
C7 C 0.2164(3) 0.5000 0.3454(5) 0.0266(8) Uani 1 2 d S . .
N1 N 0.11499(18) 0.25245(14) 0.3357(4) 0.0420(6) Uani 1 1 d . . .
N2 N 0.4341(2) 0.09507(16) 0.2810(5) 0.0674(10) Uani 1 1 d . . .
H2A H 0.4904 0.0711 0.2379 0.081 Uiso 1 1 calc R . .
H2B H 0.3938 0.0617 0.3357 0.081 Uiso 1 1 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
Ag1 N2 2.321(3) 7_556 ?
Ag1 N2 2.321(3) 8_455 ?
Ag1 N1 2.324(3) 2_556 ?
Ag1 N1 2.324(3) . ?
C8 F1 1.280(5) . ?
C8 F1 1.280(5) 6_565 ?
C8 F2 1.341(6) . ?
C8 C7 1.547(5) . ?
O1 C7 1.232(5) . ?
O2 C7 1.230(5) . ?
C1 N1 1.340(4) . ?
C1 C2 1.370(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.385(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(4) . ?
C3 C6 1.495(5) . ?
C4 C5 1.373(4) . ?
C4 H4 0.9300 . ?
C5 N1 1.337(4) . ?
C5 H5 0.9300 . ?
C6 N2 1.476(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
N2 Ag1 2.321(3) 7_556 ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
