Crystallography Open Database

Information card for entry 7018029

Preview

Coordinates	7018029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Ni0.5 O S4
Calculated formula	C6 H8 Ni0.5 O S4
Title of publication	Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.
Authors of publication	Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	5
Pages of publication	1441 - 1443
a	7.6821 ± 0.0006 Å
b	8.1203 ± 0.0007 Å
c	8.7853 ± 0.0006 Å
α	97.483 ± 0.003°
β	114.055 ± 0.003°
γ	99.403 ± 0.003°
Cell volume	481.79 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018029.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018029.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018029.cif
33499	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018029, 7018030, 7018031, 7018032 via cif-deposit CGI script.	7018029.cif