Crystallography Open Database

Information card for entry 4339657

Preview

Coordinates	4339657.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(pyridine-2-thionato)gold(I) chloride hydrate
Formula	C10 H12 Au Cl N2 O S2
Calculated formula	C10 H12 Au Cl N2 O S2
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	14.837 ± 0.001 Å
b	13.797 ± 0.001 Å
c	6.995 ± 0.001 Å
α	90°
β	100.15 ± 0.02°
γ	90°
Cell volume	1409.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4339657.cif
117454	2014-06-15	cif/ Adding structures of 4339657 via cif-deposit CGI script.	4339657.cif