Information card for entry 2225745

Structure parameters

• Common name: o-6-picoline derivative
• Chemical name: 2-Ferrocenyl-<i>N</i>-(6-methyl-2-pyridyl)benzamide
• Formula: C23 H20 Fe N2 O
• Calculated formula: C23 H20 Fe N2 O
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1c(C(=O)Nc2cccc(n2)C)cccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: 2-Ferrocenyl-<i>N</i>-(6-methyl-2-pyridyl)benzamide
• Authors of publication: Gallagher, John F.; Alley, Steven; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m396
• a: 22.8234 ± 0.0009 Å
• b: 22.8234 ± 0.0009 Å
• c: 36.9342 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16661.7 ± 1.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes