Information card for entry 4110644

Structure parameters

• Chemical name: Fe2C60Me10Cp2_D5d_SbCl6_2__PhCN_5
• Formula: C57.5 H32 Cl6 Fe N2.5 Sb
• Calculated formula: C57.5 H32 Cl6 Fe N2.5 Sb
• 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: 33.486 ± 0.003 Å
• b: 16.828 ± 0.0016 Å
• c: 16.453 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9271.3 ± 1.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2245
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No