Crystallography Open Database

Information card for entry 4339656

Preview

Coordinates	4339656.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(pyridine-4-thionato)gold(I) chloride
Formula	C10 H10 Au Cl N2 S2
Calculated formula	C10 Au Cl N2 S2
SMILES	[Cl-].[Au](Sc1ccncc1)Sc1ccncc1
Title of publication	Coordination of pyridinethiols in gold(I) complexes.
Authors of publication	Räisänen, Minna T; Runeberg, Nino; Klinga, Martti; Nieger, Martin; Bolte, Michael; Pyykkö, Pekka; Leskelä, Markku; Repo, Timo
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9954 - 9960
a	17.011 ± 0.003 Å
b	11.425 ± 0.002 Å
c	6.793 ± 0.001 Å
α	90°
β	99.79 ± 0.03°
γ	90°
Cell volume	1301 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2691
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	1.864
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
179499 (current)	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 4/33/96.	4339656.cif
117453	2014-06-15	cif/ Adding structures of 4339656 via cif-deposit CGI script.	4339656.cif