Information card for entry 4108757

Structure parameters

• Chemical name: CpFeC60Me10FeCp_CHCl3
• Formula: C81 H41 Cl3 Fe2
• Calculated formula: C81 H41 Cl3 Fe2
• Title of publication: Uniquely Shaped Double-Decker Buckyferrocenes-Distinct Electron Donor-Acceptor Interactions
• Authors of publication: Renata Marczak; Mateusz Wielopolski; S. Shankara Gayathri; Dirk M. Guldi; Yutaka Matsuo; Keiko Matsuo; Kazukuni Tahara; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16207 - 16215
• a: 35.095 ± 0.0014 Å
• b: 17.143 ± 0.0013 Å
• c: 17.421 ± 0.0013 Å
• α: 90°
• β: 99.812 ± 0.004°
• γ: 90°
• Cell volume: 10327.7 ± 1.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No