Information card for entry 4120367

Structure parameters

• Common name: Yb@C2(13)-C84-Ad
• Chemical name: YbC84(II)Ad
• Formula: C68.67 H13.33 Cl2 Yb0.67
• Calculated formula: C68.7227 H13.3333 Cl2 Yb0.613333
• Title of publication: Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84
• Authors of publication: Wenjun Zhang; Mitsuaki Suzuki; Yunpeng Xie; Lipiao Bao; Wenting Cai; Zdenek Slanina; Shigeru Nagase; Ming Xu; Takeshi Akasaka; Xing Lu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12730 - 12735
• a: 22.135 ± 0.005 Å
• b: 11.333 ± 0.003 Å
• c: 22.798 ± 0.006 Å
• α: 90°
• β: 109.147 ± 0.007°
• γ: 90°
• Cell volume: 5403 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2056
• Residual factor for significantly intense reflections: 0.1545
• Weighted residual factors for significantly intense reflections: 0.414
• Weighted residual factors for all reflections included in the refinement: 0.4395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.624
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No