Information card for entry 2231335

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(Ferrocenylmethylidene)(pyridin-3-yl)methanamine
• Formula: C17 H16 Fe N2
• Calculated formula: C17 H16 Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=N/Cc1cnccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: (<i>E</i>)-<i>N</i>-(Ferrocenylmethylidene)(pyridin-3-yl)methanamine
• Authors of publication: Adams, Nadia; Gerber, Thomas; McCleland, Cedric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1084
• a: 18.7988 ± 0.0017 Å
• b: 5.9314 ± 0.0006 Å
• c: 12.5083 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes