Crystallography Open Database

Information card for entry 7240166

Preview

Coordinates	7240166.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2,3-trimethylimidazolium tetrachlorideferrate(III)
Formula	C6 H11 Cl4 Fe N2
Calculated formula	C6 H11 Cl4 Fe N2
SMILES	[Fe](Cl)(Cl)(Cl)[Cl-].n1(c([n+](C)cc1)C)C
Title of publication	Crystal structure, magneto-structural correlation, thermal and electrical studies of an imidazolium halometallate molten salt: (trimim)[FeCl4]
Authors of publication	González-Izquierdo, Palmerina; Fabelo, Oscar; Beobide, Garikoitz; Cano, Israel; Ruiz de Larramendi, Idoia; Vallcorba, Oriol; Fernández, Jesús Rodríguez; Fernández-Díaz, María Teresa; de Pedro, Imanol
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	19
Pages of publication	11200 - 11209
a	6.541 ± 0.005 Å
b	14.158 ± 0.005 Å
c	13.351 ± 0.005 Å
α	90°
β	95.59 ± 0.005°
γ	90°
Cell volume	1230.5 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0658
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
258058 (current)	2020-10-06	cif/ Updating files of 7240165, 7240166, 7240167 Original log message: Adding full bibliography for 7240165--7240167.cif.	7240166.cif
249653	2020-03-24	cif/ Adding structures of 7240165, 7240166, 7240167 via cif-deposit CGI script.	7240166.cif