Crystallography Open Database

Information card for entry 4339401

Preview

Coordinates	4339401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 Cl4 Fe N O2
Calculated formula	C18 H11 Cl4 Fe N O2
SMILES	[Fe](Cl)(Cl)(Cl)[Cl-].O1c2c(N3c4c1cccc4Oc1c3cccc1)cccc2
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	9.9281 ± 0.0019 Å
b	13.089 ± 0.002 Å
c	15.659 ± 0.003 Å
α	90°
β	112.12 ± 0.004°
γ	90°
Cell volume	1885.1 ± 0.6 Å³
Cell temperature	113.1 K
Number of distinct elements	6
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	0.0332
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4339401.cif
117312	2014-06-14	cif/ Adding structures of 4339401 via cif-deposit CGI script.	4339401.cif