Information card for entry 4101475

Structure parameters

• Common name: Sc3N@N-trityl-3,4-fullero[C80]pyrrolidine
• Formula: C115.65 H36.1 N2 Sc3
• Calculated formula: C115.65 H36.1 N2 Sc3
• Title of publication: A pirouette on a metallofullerene sphere: interconversion of isomers of N-tritylpyrrolidino I(h) Sc3N@C80.
• Authors of publication: Cai, Ting; Slebodnick, Carla; Xu, Liaosa; Harich, Kim; Glass, Thomas E; Chancellor, Christopher; Fettinger, James C; Olmstead, Marilyn M; Balch, Alan L; Gibson, Harry W; Dorn, Harry C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6486 - 6492
• a: 11.0242 ± 0.0011 Å
• b: 16.5046 ± 0.0018 Å
• c: 18.8995 ± 0.0019 Å
• α: 74.045 ± 0.002°
• β: 77.655 ± 0.003°
• γ: 76.84 ± 0.002°
• Cell volume: 3177.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No