Information card for entry 4500803

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 ų
• 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 Fobs: No