Crystallography Open Database

Information card for entry 4334874

Preview

Coordinates	4334874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cl4 Fe K O3 S4
Calculated formula	C20 H22 Cl4 Fe K O3 S4
SMILES	c12c(ccc(c1S[Fe]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.C1CCCO1.C1CCCO1.O.[K+]
Title of publication	Electrical Bistability around Room Temperature in an Unprecedented One-Dimensional Coordination Magnetic Polymer
Authors of publication	Pilar Amo-Ochoa; Esther Delgado; Carlos J. Gómez-García; Diego Hernández; Elisa Hernández; Avelino Martin; Félix Zamora
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5943 - 5950
a	9.3607 ± 0.0009 Å
b	22.276 ± 0.005 Å
c	13.218 ± 0.003 Å
α	90°
β	103.525 ± 0.011°
γ	90°
Cell volume	2679.8 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.1203
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334874.cif
100758	2014-02-07	cif/ Adding structures of 4334874 via cif-deposit CGI script.	4334874.cif