Information card for entry 7050245

Structure parameters

• Common name: JXH-II-076
• Formula: C40 H48 Fe2 N2 O
• Calculated formula: C40 H48 Fe2 N2 O
• 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: 31.69 ± 0.005 Å
• b: 5.9141 ± 0.0009 Å
• c: 19.117 ± 0.003 Å
• α: 90°
• β: 110.715 ± 0.003°
• γ: 90°
• Cell volume: 3351.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No