Information card for entry 7050244

Structure parameters

• Common name: JXH-II-076
• Formula: C21 H26 Fe I N
• Calculated formula: C21 H26 Fe I N
• Title of publication: Ferrocene Derivatives as Receptors to Explore Ammonium Cation-pi Interactions
• Authors of publication: G. Gokel; Leonard J. Barbour; Jiaxin Hu
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 9.7909 ± 0.0015 Å
• b: 13.64 ± 0.002 Å
• c: 15.018 ± 0.002 Å
• α: 94.261 ± 0.003°
• β: 92.364 ± 0.003°
• γ: 97.445 ± 0.003°
• Cell volume: 1980.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No