Crystallography Open Database

Information card for entry 4338872

Preview

Structure parameters

Formula	C10 H14 Ag N O6 S
Calculated formula	C10 H14 Ag N O6 S
SMILES	[Ag]([OH2])[OH2].S(=O)(=O)(c1c2c(cc(cc2)N)ccc1)[O-].O
Title of publication	Structural study of silver(I) sulfonate complexes with pyrazine derivatives.
Authors of publication	Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7299 - 7311
a	8.878 ± 0.0011 Å
b	9.014 ± 0.0011 Å
c	9.558 ± 0.0012 Å
α	90 ± 0.0019°
β	116.99 ± 0.0016°
γ	90 ± 0.0019°
Cell volume	681.58 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4338872.cif
179491	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/88.	4338872.cif
116975	2014-06-14	cif/ Adding structures of 4338867, 4338868, 4338869, 4338870, 4338871, 4338872, 4338873, 4338874, 4338875, 4338876, 4338877 via cif-deposit CGI script.	4338872.cif