Crystallography Open Database

Information card for entry 4307341

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Coordinates	4307341.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	acetonitriledichloroiron(II)
Formula	C2 H3 Cl2 Fe N
Calculated formula	C2 H3 Cl2 Fe N
Title of publication	Structural and Magnetic Properties of MCl2 (M = Fe, Mn, Co): Acetonitrile Solvates
Authors of publication	Konstantin I. Pokhodnya; Michael Bonner; Antonio G. DiPasquale; Arnold L. Rheingold; Jae-Hyuk Her; Peter W. Stephens; Jong-Won Park; Bretni S. Kennon; Atta M. Arif; Joel S. Miller
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2471 - 2477
a	18.2005 ± 0.0002 Å
b	8.38085 ± 0.00008 Å
c	3.6573 ± 0.00004 Å
α	90°
β	94.167 ± 0.003°
γ	90°
Cell volume	556.394 ± 0.01 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor R(I) for significantly intense reflections	0.015
Goodness-of-fit parameter for all reflections	1.715
Method of determination	powder diffraction
Diffraction radiation wavelength	0.6908 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179111 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73.	4307341.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307341.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307341.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307341.cif