Information card for entry 4108916

Structure parameters

• Formula: C101 H22 N Sc3
• Calculated formula: C101 H22 N Sc3
• Title of publication: Highly Regioselective Derivatization of Trimetallic Nitride Templated Endohedral Metallofullerenes via a Facile Photochemical Reaction
• Authors of publication: Chunying Shu; Carla Slebodnick; Liaosa Xu; Hunter Champion; Tim Fuhrer; Ting Cai; Jonathan E. Reid; Wujun Fu; Kim Harich; Harry C. Dorn; Harry W. Gibson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17755 - 17760
• a: 11.0377 ± 0.0004 Å
• b: 18.4948 ± 0.0008 Å
• c: 25.2391 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5152.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1738
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.3527
• Weighted residual factors for all reflections included in the refinement: 0.3839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No