Information card for entry 4106889

Structure parameters

• Formula: C186 H104 La2 N8 Ni2
• Calculated formula: C186 H104 La1.9998 N8 Ni2
• Title of publication: Very Large, Soluble Endohedral Fullerenes in the Series La2C90 to La2C138: Isolation and Crystallographic Characterization of La2@D5(450)-C100
• Authors of publication: Christine M. Beavers; Hongxiao Jin; Hua Yang; Zhimin Wang; Xinqing Wang; Hongliang Ge; Ziyang Liu; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15338 - 15341
• a: 24.6803 ± 0.0007 Å
• b: 19.0086 ± 0.0006 Å
• c: 24.8761 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11670.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No