Crystallography Open Database

Information card for entry 4303971

Preview

Coordinates	4303971.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CpCo(P(OMe)3)(btt)CoCp
Formula	C29 H41 Co2 O3 P S4
Calculated formula	C29 H41 Co2 O3 P S4
SMILES	[Co]12345(Sc6c(S1)cc1S[Co]789%10(Sc1c6)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)([P](OC)(OC)OC)[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	11.5602 ± 0.0001 Å
b	15.0512 ± 0.0002 Å
c	18.6825 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3250.66 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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.	4303971.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303971.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303971.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4303971.cif