Information card for entry 4107313

Structure parameters

• Common name: La2@C78Ad
• Chemical name: La2@C78Ad
• Formula: C90 H18.67 La2
• Calculated formula: C90.3594 H19.4 La2
• Title of publication: Addition of Adamantylidene to La2@C78: Isolation and Single-Crystal X-ray Structural Determination of the Monoadducts
• Authors of publication: Baopeng Cao; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 983 - 989
• a: 26.564 ± 0.002 Å
• b: 26.564 ± 0.002 Å
• c: 10.8869 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6653.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6887 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No