Information card for entry 2236909

Structure parameters

• Chemical name: (4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene
• Formula: C22 H18 Fe N2
• Calculated formula: C22 H18 Fe N2
• 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=C/c1ccncc1
• Title of publication: (4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene
• Authors of publication: Nyamori, Vincent O.; Keru, Godfrey; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1535
• a: 10.72 ± 0.0003 Å
• b: 7.4015 ± 0.0002 Å
• c: 20.8517 ± 0.0006 Å
• α: 90°
• β: 93.044 ± 0.001°
• γ: 90°
• Cell volume: 1652.12 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes