Crystallography Open Database

Information card for entry 7054761

Preview

Coordinates	7054761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Fe I5.6 N6 S6
Calculated formula	C18 H30 Fe I5.6 N6 S6
Title of publication	Tuning the oxidation state and magnetic and coordination behaviour of iron and cobalt complexes by O/S variation in mono-thio and dithio-oxamide chelating ligands
Authors of publication	Pilia, Luca; Espa, Davide; Concas, Giorgio; Congiu, Francesco; Marchiò, Luciano; Laura Mercuri, M.; Serpe, Angela; Deplano, Paola
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	6
Pages of publication	4716
a	8.487 ± 0.004 Å
b	13.97 ± 0.006 Å
c	16.988 ± 0.009 Å
α	73.85 ± 0.01°
β	77.69 ± 0.02°
γ	76.69 ± 0.02°
Cell volume	1858.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1622
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.2016
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7054761.cif
138785	2015-06-07	cif/ Updating files of 7054758, 7054759, 7054760, 7054761, 7054762 Original log message: Adding full bibliography for 7054758--7054762.cif.	7054761.cif
134133	2015-03-19	cif/ Adding structures of 7054758, 7054759, 7054760, 7054761, 7054762 via cif-deposit CGI script.	7054761.cif