Information card for entry 2225503

Structure parameters

• Chemical name: 1-(6-Ferrocenylhexyl)-1<i>H</i>-imidazole
• Formula: C19 H24 Fe N2
• Calculated formula: C19 H24 Fe N2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)CCCCCCn1ccnc1
• Title of publication: 1-(6-Ferrocenylhexyl)-1<i>H</i>-imidazole
• Authors of publication: Nyamori, Vincent O.; Bala, Muhammad D.; Levendis, Demetrius C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m412
• a: 15.587 ± 0.003 Å
• b: 7.6042 ± 0.0012 Å
• c: 27.773 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3291.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes