Information card for entry 2214314

Structure parameters

• Chemical name: p-Ferrocenylaniline
• Formula: C16 H15 Fe N
• Calculated formula: C16 H15 Fe N
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82c1ccc(cc1)N
• Title of publication: <i>p</i>-Ferrocenylaniline
• Authors of publication: Danielle M. Bequeath; Matthias Zeller; William J. Karnofel; Courtney L. Hoch; Larry S. Curtin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1866 - m1867
• a: 9.6762 ± 0.0007 Å
• b: 8.0284 ± 0.0006 Å
• c: 31.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2448.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0462
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes