Crystallography Open Database

Information card for entry 7204110

7204109 << 7204110 >> 7204111

Preview

Coordinates	7204110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H6 Br4 Fe S9
Calculated formula	C11 H6 Br4 Fe S9
SMILES	Br[Fe](Br)(Br)[Br-].S1C(SC(=S)C1=C1SC=CS1)=C1SC2=C(S1)SCCS2
Title of publication	Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations
Authors of publication	Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	9
Pages of publication	2089
a	15.464 ± 0.001 Å
b	7.4292 ± 0.0004 Å
c	19.085 ± 0.001 Å
α	90°
β	92.438 ± 0.005°
γ	90°
Cell volume	2190.6 ± 0.2 Å³
Cell temperature	298.3 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	0.0662
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204110.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204110.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204110.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204110.cif