Crystallography Open Database

Information card for entry 4303973

Preview

Coordinates	4303973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 Co S4
Calculated formula	C22 H31 Co S4
SMILES	[Co]12345(Sc6c(S1)cc(SC(C)C)c(SC(C)C)c6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Dinuclear Cp* Cobalt Complexes of the 1,2,4,5-Benzenetetrathiolate Bischelating Ligand
Authors of publication	Mitsushiro Nomura; Marc Fourmigué
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1301 - 1312
a	14.341 ± 0.004 Å
b	17.836 ± 0.004 Å
c	18.804 ± 0.005 Å
α	90°
β	96.203 ± 0.012°
γ	90°
Cell volume	4782 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0775
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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
179077 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/39.	4303973.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303973.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303973.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4303973.cif