Information card for entry 2207781

Structure parameters

• Chemical name: 1-[N-Methyl-N-(4-methylbenzyl)aminomethyl]ferrocene
• Formula: C20 H23 Fe N
• Calculated formula: C20 H23 Fe N
• Title of publication: 1-[<i>N</i>-Methyl-<i>N</i>-(4-methylbenzyl)aminomethyl]ferrocene
• Authors of publication: Hong-Xing Wang; Hong-Fei Wu; Feng-Ying Geng; Ren-Qing Gao; Hui-Chao Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m14 - m15
• a: 14.857 ± 0.0014 Å
• b: 5.969 ± 0.0005 Å
• c: 19.3667 ± 0.0018 Å
• α: 90°
• β: 102.53 ± 0.001°
• γ: 90°
• Cell volume: 1676.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes