Information card for entry 4108060

Structure parameters

• Common name: La@C72Ad
• Chemical name: La@C72Ad
• Formula: C94 H22 Cl4 La2
• Calculated formula: C94 H22 Cl4 La2.0002
• Title of publication: Chemical Understanding of a Non-IPR Metallofullerene: Stabilization of Encaged Metals on Fused-Pentagon Bonds in La2@C72
• Authors of publication: Xing Lu; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Makoto Toki; 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: 9129 - 9136
• a: 10.4412 ± 0.0009 Å
• b: 15.5 ± 0.0016 Å
• c: 17.919 ± 0.0014 Å
• α: 110.931 ± 0.005°
• β: 95.813 ± 0.004°
• γ: 104.328 ± 0.005°
• Cell volume: 2566.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.9983 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No