Information card for entry 2219828

Structure parameters

• Chemical name: 1-Ferrocenylmethyl-1<i>H</i>-imidazole
• Formula: C14 H14 Fe N2
• Calculated formula: C14 H14 Fe N2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)Cn1ccnc1
• Title of publication: 1-Ferrocenylmethyl-1<i>H</i>-imidazole
• Authors of publication: Nyamori, Vincent O.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1451
• a: 14.8914 ± 0.0006 Å
• b: 7.5587 ± 0.0003 Å
• c: 10.7854 ± 0.0004 Å
• α: 90°
• β: 96.862 ± 0.002°
• γ: 90°
• Cell volume: 1205.3 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes