Crystallography Open Database

Information card for entry 4111186

Preview

Coordinates	4111186.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(acetonitrile)tetracyanoethanide(1-)iron(II) tetrachloroferrate(III)
Formula	C10 H6 Cl4 Fe2 N6
Calculated formula	C5 H3 Cl2 Fe N3
Title of publication	Magnetic Ordering (Tc= 90 K) Observed for Layered [FeII(TCNE.-)(NCMe)2]+[FeIIICl4]- (TCNE = Tetracyanoethylene)
Authors of publication	Konstantin I. Pokhodnya; Michael Bonner; Jae-Hyuk Her; Peter W. Stephens; Joel S. Miller
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15592 - 15593
a	14.3327 ± 0.0001 Å
b	16.482 ± 0.0002 Å
c	7.28 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1719.77 ± 0.03 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor R(I) for significantly intense reflections	0.012
Goodness-of-fit parameter for all reflections	1.277
Method of determination	powder diffraction
Diffraction radiation wavelength	0.690779 Å
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.	4111186.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111186.cif
60711	2012-06-18	cif/ Adding structures of 4111186 via cif-deposit CGI script.	4111186.cif