Information card for entry 2213490

Structure parameters

• Chemical name: 1-[(N-Benzyl-N-methylamino)methyl]ferrocene
• Formula: C19 H21 Fe N
• Calculated formula: C19 H21 Fe N
• Title of publication: 1-[(<i>N</i>-Benzyl-<i>N</i>-methylamino)methyl]ferrocene
• Authors of publication: Hong-Fei Wu; Hong-Xing Wang; Xiao-Li Yang; Li Wan; Nan Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1347 - m1348
• a: 5.9691 ± 0.0013 Å
• b: 10.245 ± 0.002 Å
• c: 13.717 ± 0.003 Å
• α: 93.916 ± 0.003°
• β: 99.948 ± 0.003°
• γ: 105.071 ± 0.003°
• Cell volume: 792.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes