Information card for entry 4108388

Structure parameters

• Common name: Tb2@C79N.NiOEP.2benzene
• Formula: C128 H56 N4 Ni Tb2
• Calculated formula: C129.5 H56 N4 Ni Tb2.0004
• Title of publication: M2@C79N (M = Y, Tb): Isolation and Characterization of Stable Endohedral Metallofullerenes Exhibiting M-M Bonding Interactions inside Aza[80]fullerene Cages
• Authors of publication: Tianming Zuo; Liaosa Xu; Christine M. Beavers; Marilyn M. Olmstead; Wujun Fu; T. Daniel Crawford; Alan L. Balch; Harry C. Dorn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12992 - 12997
• a: 25.1848 ± 0.0007 Å
• b: 15.116 ± 0.0005 Å
• c: 19.7406 ± 0.0007 Å
• α: 90°
• β: 95.063 ± 0.001°
• γ: 90°
• Cell volume: 7485.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No