Information card for entry 2207310

Structure parameters

• Chemical name: 1-{[N-Methyl-N-(4-methylphenyl)amino]methyl}ferrocene
• Formula: C19 H21 Fe N
• Calculated formula: C19 H21 Fe N
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81CN(C)c1ccc(C)cc1
• Title of publication: 1-{[<i>N</i>-Methyl-<i>N</i>-(4-methylphenyl)amino]methyl}ferrocene
• Authors of publication: Hong-Xing Wang; Ying-Jie Li; Hong-Fei Wu; Hui-Chao Zhou; Feng-Ying Geng; Ren-Qing Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2322 - m2323
• a: 9.587 ± 0.005 Å
• b: 12.569 ± 0.007 Å
• c: 13.95 ± 0.007 Å
• α: 90°
• β: 105.311 ± 0.006°
• γ: 90°
• Cell volume: 1621.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes