Information card for entry 2204435

Structure parameters

• Chemical name: [(1-Phenylethyl)iminomethyl]ferrocene
• Formula: C19 H19 Fe N
• Calculated formula: C19 H19 Fe N
• SMILES: [Fe]12345678([c]9([cH]8[cH]6[cH]2[cH]19)/C=N\[C@@H](c1ccccc1)C)[cH]1[cH]7[cH]5[cH]3[cH]41
• Title of publication: [(1-Phenylethyl)iminomethyl]ferrocene
• Authors of publication: Hecht, Elmar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1593 - m1594
• a: 5.948 ± 0.0003 Å
• b: 7.501 ± 0.0004 Å
• c: 17.3197 ± 0.001 Å
• α: 90°
• β: 92.751 ± 0.001°
• γ: 90°
• Cell volume: 771.84 ± 0.07 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes