Information card for entry 4110642

Structure parameters

• Chemical name: Fe2C60Me10Cp2_D5d
• Formula: C40 H20 Fe
• Calculated formula: C40 H20 Fe
• Title of publication: Synthesis and Electrochemistry of Double-Decker Buckyferrocenes
• Authors of publication: Yutaka Matsuo; Kazukuni Tahara; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 7154 - 7155
• a: 9.99 ± 0.0004 Å
• b: 16.299 ± 0.0005 Å
• c: 15.211 ± 0.0005 Å
• α: 90°
• β: 100.238 ± 0.002°
• γ: 90°
• Cell volume: 2437.33 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No