Crystallography Open Database

Information card for entry 4340597

Preview

Coordinates	4340597.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3-dimethylimidazolium Tetrabromoferrate
Formula	C5 H9 Br4 Fe N2
Calculated formula	C5 H9 Br4 Fe N2
SMILES	[Fe](Br)(Br)(Br)[Br-].n1(c[n+](cc1)C)C
Title of publication	Anion-π and Halide-Halide Nonbonding Interactions in a New Ionic Liquid Based on Imidazolium Cation with Three-Dimensional Magnetic Ordering in the Solid State.
Authors of publication	García-Saiz, Abel; de Pedro, Imanol; Migowski, Pedro; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesús Angel; Fabelo, Oscar; Sheptyakov, Denis; Waerenborgh, Joao Carlos; Fernández-Díaz, María Teresa; Rius, Jordi; Dupont, Jairton; Gonzalez, Jesús Antonio; Fernández, Jesús Rodríguez
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8384 - 8396
a	6.752 ± 0.0001 Å
b	14.3717 ± 0.0003 Å
c	6.75 ± 0.0002 Å
α	90°
β	90.676 ± 0.001°
γ	90°
Cell volume	654.96 ± 0.03 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor R(I) for significantly intense reflections	0.019
Goodness-of-fit parameter for all reflections	2.047
Method of determination	powder diffraction
Diffraction radiation wavelength	0.62039 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179508 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/05.	4340597.cif
122892	2014-09-06	cif/ Updating files of 4340596, 4340597 Original log message: Adding full bibliography for 4340596--4340597.cif.	4340597.cif
121009	2014-08-01	cif/ Adding structures of 4340596, 4340597 via cif-deposit CGI script.	4340597.cif