Information card for entry 4500804

Structure parameters

• Formula: C6 H11 Cl4 Fe N2
• Calculated formula: C6 H11 Cl4 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].n1(C)c[n+](cc1)CC
• 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: 6.1337 ± 0.0012 Å
• b: 14.362 ± 0.003 Å
• c: 7.1111 ± 0.0014 Å
• α: 90°
• β: 91.33 ± 0.03°
• γ: 90°
• Cell volume: 626.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 for all reflections: 0.1857
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.3397
• Weighted residual factors for all reflections included in the refinement: 0.3707
• Goodness-of-fit parameter for all reflections included in the refinement: 2.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No