Information card for entry 4104946

Structure parameters

• Common name: Y@C82Ad-A
• Chemical name: Y@C82Ad-A
• Formula: C94.5 H14 S5 Y
• Calculated formula: C94.58 H14 S5 Y
• Title of publication: Location of the Yttrium Atom in Y@C82 and Its Influence on the Reactivity of Cage Carbons
• Authors of publication: Xing Lu; Hidefumi Nikawa; Lai Feng; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12066 - 12067
• a: 11.3472 ± 0.0003 Å
• b: 21.915 ± 0.0005 Å
• c: 20.9629 ± 0.0005 Å
• α: 90°
• β: 101.536 ± 0.001°
• γ: 90°
• Cell volume: 5107.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No