Information card for entry 7240166

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 ų
• 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 Fobs: No