Information card for entry 2236904

Structure parameters

• Chemical name: 1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium iodide
• Formula: C15 H17 Fe I N2
• Calculated formula: C15 H17 Fe I N2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82Cn1c[n+](cc1)C.[I-]
• Title of publication: 1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium iodide
• Authors of publication: Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1469
• a: 7.2745 ± 0.0003 Å
• b: 9.3164 ± 0.0003 Å
• c: 22.2744 ± 0.0009 Å
• α: 90°
• β: 90.927 ± 0.003°
• γ: 90°
• Cell volume: 1509.39 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes