Information card for entry 4111329

Structure parameters

• Common name: Tb3N@(D2-35)C88.NiOEP.2.5benzene
• Formula: C139 H59 N5 Ni Tb3
• Calculated formula: C139 H59 N5 Ni Tb3
• Title of publication: Isolation and Structural Characterization of a Family of Endohedral Fullerenes Including the Large, Chiral Cage Fullerenes Tb3N@C88 and Tb3N@C86 as well as the Ih and D5h Isomers of Tb3N@C80
• Authors of publication: Tianming Zuo; Christine M. Beavers; James C. Duchamp; Anne Campbell; Harry C. Dorn; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2035 - 2043
• a: 14.99 ± 0.003 Å
• b: 16.795 ± 0.003 Å
• c: 18.408 ± 0.003 Å
• α: 77.94 ± 0.003°
• β: 76.268 ± 0.003°
• γ: 65.161 ± 0.003°
• Cell volume: 4053.9 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No