Crystallography Open Database

Information card for entry 7204108

7204107 << 7204108 >> 7204109

Preview

Coordinates	7204108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H8 Br4 Fe S9
Calculated formula	C11 H8 Br4 Fe S9
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	8.6768 ± 0.0007 Å
b	10.517 ± 0.0003 Å
c	14.2544 ± 0.0009 Å
α	69.509 ± 0.007°
β	76.406 ± 0.003°
γ	83.126 ± 0.003°
Cell volume	1183.33 ± 0.14 Å³
Cell temperature	113.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.906
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.	7204108.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204108.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204108.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/.	7204108.cif