#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2014338.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_2014338
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 2006
_journal_volume 62
_journal_page_first m1
_journal_page_last m3
_publ_section_title
;
Monoclinic and triclinic concomitant polymorphs of
di-\m-pyridazine-1\k^2^N:2\kN'-bis[(saccharinato)silver(I)]
;
loop_
_publ_author_name
'Hamamci, Sevim'
'Yilmaz, Veysel T.'
'B\"uy\"ukg\"ung\"or, Orhan'
_chemical_formula_moiety 'C22 H16 Ag2 N6 O6 S2'
_chemical_formula_sum 'C22 H16 Ag2 N6 O6 S2'
_chemical_formula_iupac '[Ag2 (C7 H4 N O3 S)2 (C4 H4 N2)2]'
_chemical_formula_weight 740.27
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_space_group_name_Hall '-P 1n'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_cell_length_a 7.3231(8)
_cell_length_b 7.7516(9)
_cell_length_c 11.5389(14)
_cell_angle_alpha 73.090(9)
_cell_angle_beta 83.087(10)
_cell_angle_gamma 71.148(9)
_cell_volume 592.82(12)
_cell_formula_units_Z 1
_cell_measurement_temperature 100(2)
_exptl_crystal_density_diffrn 2.074
_diffrn_ambient_temperature 100(2)
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
C1 0.2961(4) 0.6328(3) 0.8038(3) 0.0184(5) Uani d . 1 . . C
C2 0.2856(4) 0.7137(4) 0.8978(3) 0.0206(5) Uani d . 1 . . C
H2 0.3318 0.6410 0.9739 0.025 Uiso calc R 1 . . H
C3 0.2027(4) 0.9086(4) 0.8727(3) 0.0236(6) Uani d . 1 . . C
H3 0.1949 0.9686 0.9330 0.028 Uiso calc R 1 . . H
C4 0.1310(4) 1.0157(4) 0.7585(3) 0.0241(6) Uani d . 1 . . C
H4 0.0743 1.1458 0.7444 0.029 Uiso calc R 1 . . H
C5 0.1428(4) 0.9318(4) 0.6657(3) 0.0212(5) Uani d . 1 . . C
H5 0.0949 1.0036 0.5897 0.025 Uiso calc R 1 . . H
C6 0.2285(4) 0.7371(4) 0.6895(2) 0.0187(5) Uani d . 1 . . C
C7 0.2542(4) 0.6145(3) 0.6054(3) 0.0192(5) Uani d . 1 . . C
C8 0.2204(4) 0.4099(4) 0.3283(3) 0.0205(5) Uani d . 1 . . C
H8 0.1923 0.5083 0.3648 0.025 Uiso calc R 1 . . H
C9 0.1538(4) 0.4492(4) 0.2127(3) 0.0216(5) Uani d . 1 . . C
H9 0.0847 0.5715 0.1719 0.026 Uiso calc R 1 . . H
C10 0.1926(4) 0.3040(4) 0.1612(3) 0.0223(5) Uani d . 1 . . C
H10 0.1497 0.3229 0.0846 0.027 Uiso calc R 1 . . H
C11 0.2997(4) 0.1248(4) 0.2281(3) 0.0214(5) Uani d . 1 . . C
H11 0.3274 0.0237 0.1942 0.026 Uiso calc R 1 . . H
N1 0.3338(3) 0.4268(3) 0.6626(2) 0.0201(4) Uani d . 1 . . N
N2 0.3230(3) 0.2371(3) 0.3892(2) 0.0198(4) Uani d . 1 . . N
N3 0.3635(3) 0.0922(3) 0.3375(2) 0.0205(5) Uani d . 1 . . N
O1 0.2573(3) 0.2919(2) 0.88383(18) 0.0223(4) Uani d . 1 . . O
O2 0.5813(3) 0.3087(3) 0.82572(19) 0.0241(4) Uani d . 1 . . O
O3 0.2102(3) 0.6773(3) 0.49987(18) 0.0252(4) Uani d . 1 . . O
S1 0.37842(9) 0.39200(8) 0.80332(6) 0.01781(14) Uani d . 1 . . S
Ag1 0.44028(3) 0.19733(2) 0.571644(17) 0.02225(9) Uani d . 1 . . Ag
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
C1 0.0176(11) 0.0136(11) 0.0254(14) -0.0065(9) -0.0016(10) -0.0048(9)
C2 0.0233(12) 0.0199(12) 0.0209(14) -0.0086(10) -0.0017(10) -0.0061(10)
C3 0.0256(13) 0.0241(13) 0.0277(15) -0.0108(11) 0.0013(11) -0.0140(11)
C4 0.0244(13) 0.0160(11) 0.0322(16) -0.0063(10) 0.0003(11) -0.0074(11)
C5 0.0218(12) 0.0171(12) 0.0241(14) -0.0082(10) -0.0006(10) -0.0020(10)
C6 0.0199(11) 0.0202(12) 0.0189(13) -0.0102(10) 0.0012(10) -0.0057(10)
C7 0.0183(11) 0.0160(11) 0.0235(15) -0.0069(9) 0.0020(10) -0.0049(10)
C8 0.0212(12) 0.0161(11) 0.0241(14) -0.0046(9) -0.0021(10) -0.0058(10)
C9 0.0197(12) 0.0205(12) 0.0234(14) -0.0060(10) -0.0021(10) -0.0034(10)
C10 0.0206(12) 0.0266(13) 0.0205(14) -0.0089(10) -0.0018(10) -0.0051(10)
C11 0.0208(12) 0.0207(12) 0.0238(14) -0.0058(10) -0.0015(10) -0.0077(10)
N1 0.0258(11) 0.0151(10) 0.0198(12) -0.0051(8) -0.0028(9) -0.0060(8)
N2 0.0231(10) 0.0164(10) 0.0205(12) -0.0059(8) 0.0006(9) -0.0064(8)
N3 0.0233(11) 0.0152(10) 0.0237(12) -0.0054(8) -0.0001(9) -0.0070(8)
O1 0.0291(10) 0.0178(8) 0.0217(10) -0.0102(7) -0.0022(8) -0.0036(7)
O2 0.0241(9) 0.0188(9) 0.0287(11) -0.0030(7) -0.0067(8) -0.0067(8)
O3 0.0358(10) 0.0206(9) 0.0192(11) -0.0080(8) -0.0023(8) -0.0053(8)
S1 0.0212(3) 0.0140(3) 0.0195(3) -0.0055(2) -0.0030(2) -0.0053(2)
Ag1 0.03078(13) 0.01544(12) 0.01939(14) -0.00346(8) -0.00270(9) -0.00617(8)
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
C1 C2 . 1.385(4) ?
C1 C6 . 1.384(4) ?
C1 S1 . 1.768(2) ?
C2 C3 . 1.390(4) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.397(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.387(4) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.391(4) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.503(4) ?
C7 O3 . 1.213(4) ?
C7 N1 . 1.371(3) ?
C8 N2 . 1.334(3) ?
C8 C9 . 1.391(4) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.357(4) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.400(4) ?
C10 H10 . 0.9300 ?
C11 N3 . 1.324(4) ?
C11 H11 . 0.9300 ?
N1 S1 . 1.623(2) ?
N2 N3 . 1.356(3) ?
O2 S1 . 1.438(2) ?
O1 S1 . 1.4418(19) ?
N1 Ag1 . 2.206(2) yes
N2 Ag1 . 2.270(2) yes
N3 Ag1 2_656 2.261(2) yes
_cod_database_code 2014338