Crystallography Open Database

Information card for entry 4307335

Preview

Coordinates	4307335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Br2 Cl2 Fe0.5 O2 S4
Calculated formula	C8 H4 Br2 Cl2 Fe0.5 O2 S4
Title of publication	Crystal Structure and Physical Properties of Conducting Molecular Antiferromagnets with a Halogen-Substituted Donor: (EDO-TTFBr2)2FeX4 (X = Cl, Br)
Authors of publication	A. Miyazaki; H. Yamazaki; M. Aimatsu; T. Enoki; R. Watanabe; E. Ogura; Y. Kuwatani; M. Iyoda
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3353 - 3366
a	12.587 ± 0.004 Å
b	34.246 ± 0.009 Å
c	6.952 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2996.7 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P n c a
Hall space group symbol	-P 2a 2n
Residual factor for all reflections	0.1701
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71069 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.	4307335.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307335.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307335.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307335.cif