Information card for entry 4130484

Structure parameters

• Common name: Ce@C82-CH2(C6H3Me2)-1d/CS2
• Formula: C92 H11 Ce S2
• Calculated formula: C92 H11 Ce S2
• Title of publication: Molecular Location Sensing Approach by Anisotropic Magnetism of an Endohedral Metallofullerene.
• Authors of publication: Takano, Yuta; Tashita, Ryo; Suzuki, Mitsuaki; Nagase, Shigeru; Imahori, Hiroshi; Akasaka, Takeshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 25
• Pages of publication: 8000 - 8006
• a: 20.9653 ± 0.0006 Å
• b: 15.2285 ± 0.0004 Å
• c: 14.6886 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4689.6 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.266
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No