Information card for entry 2219391

Structure parameters

• Chemical name: (1-Naphthyliminomethyl)ferrocene
• Formula: C21 H17 Fe N
• Calculated formula: C21 H17 Fe N
• SMILES: [Fe]12345678([c]9(/C=N/c%10cccc%11ccccc%10%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: (1-Naphthyliminomethyl)ferrocene
• Authors of publication: Zang, Yunbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1183
• a: 19.5283 ± 0.0004 Å
• b: 7.3578 ± 0.0002 Å
• c: 23.739 ± 0.0005 Å
• α: 90°
• β: 108.826 ± 0.001°
• γ: 90°
• Cell volume: 3228.47 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes