Information card for entry 4340597

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 ų
• 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 Fobs: No