Crystallography Open Database

Information card for entry 4339399

Preview

Coordinates	4339399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H9 Cl4 Fe N O3
Calculated formula	C18 H9 Cl4 Fe N O3
SMILES	[Fe](Cl)(Cl)(Cl)[Cl-].O1c2cccc3Oc4cccc5Oc6cccc1c6N(c23)c45
Title of publication	Magnetic interaction of tri- and di-oxytriphenylamine radical cation FeCl4 salts.
Authors of publication	Kuratsu, Masato; Suzuki, Shuichi; Kozaki, Masatoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Okada, Keiji
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10153 - 10157
a	22.743 ± 0.006 Å
b	12.608 ± 0.003 Å
c	16.053 ± 0.004 Å
α	90°
β	129.009 ± 0.003°
γ	90°
Cell volume	3576.8 ± 1.6 Å³
Cell temperature	113.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for all reflections included in the refinement	0.0441
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	4339399.cif
117309	2014-06-14	cif/ Adding structures of 4339399 via cif-deposit CGI script.	4339399.cif