Crystallography Open Database

Information card for entry 4500803

Preview

Coordinates	4500803.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-ethyl-3-methylimidazolium tetrachloroferrat(III)
Formula	C6 H11 Cl4 Fe N2
Calculated formula	C6 H11 Cl4 Fe N2
SMILES	n1(C)c[n+](cc1)CC.[Fe](Cl)(Cl)(Cl)[Cl-]
Title of publication	In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]
Authors of publication	Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2564
a	9.4124 ± 0.0019 Å
b	14.645 ± 0.003 Å
c	12.444 ± 0.004 Å
α	90°
β	129.841 ± 0.018°
γ	90°
Cell volume	1317.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2509
Weighted residual factors for all reflections included in the refinement	0.3296
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179539 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/08.	4500803.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500803.cif
34638	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500803 via cif-deposit CGI script.	4500803.cif