Crystallography Open Database

Information card for entry 4339660

Preview

Coordinates	4339660.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(2-pyridinium)disulfide dichloride methanol solvate
Formula	C10.5 H10 Cl2 N2 O0.5 S2
Calculated formula	C10.5 H10 Cl2 N2 O0.5 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	5.389 ± 0.001 Å
b	11.128 ± 0.001 Å
c	23.774 ± 0.002 Å
α	90°
β	90.73 ± 0.02°
γ	90°
Cell volume	1425.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4339660.cif
117457	2014-06-15	cif/ Adding structures of 4339660 via cif-deposit CGI script.	4339660.cif