Crystallography Open Database

Information card for entry 4308638

Preview

Coordinates	4308638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 Br4 Fe S11
Calculated formula	C13 H8 Br4 Fe S11
SMILES	Br[Fe](Br)(Br)[Br-].S1CCSC2=C1SC(S2)=C1SC(C(=S)S1)=C1SC2=C(S1)SCCS2
Title of publication	Ferromagnetic Ordering of Fe(III) d Spins of FeBr4- Ions in (Ethylenedithiotetrathiafulvalenothioquinone-ethylenedithio-1,3-dithiolemethide).FeBr4
Authors of publication	Mingxing Wang; Hideki Fujiwara; Toyonari Sugimoto; Satoru Noguchi; Takekazu Ishida
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1184 - 1186
a	6.483 ± 0.008 Å
b	21.523 ± 0.004 Å
c	18.769 ± 0.004 Å
α	90°
β	99.394 ± 0.004°
γ	90°
Cell volume	2584 ± 3 Å³
Cell temperature	296.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 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.	4308638.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308638.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308638.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308638.cif