Information card for entry 4108902

Structure parameters

• Common name: Gd2(C2)@C92.NiOEP.2benzene
• Formula: C142 H56 Gd2 N4 Ni
• Calculated formula: C143 H56 Gd2 N4 Ni
• Title of publication: Detection of a Family of Gadolinium-Containing Endohedral Fullerenes and the Isolation and Crystallographic Characterization of One Member as a Metal-Carbide Encapsulated inside a Large Fullerene Cage
• Authors of publication: Hua Yang; Chunxin Lu; Ziyang Liu; Hongxiao Jin; Yuliang Che; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17296 - 17300
• a: 24.2381 ± 0.0014 Å
• b: 17.6005 ± 0.001 Å
• c: 19.7867 ± 0.0012 Å
• α: 90°
• β: 97.222 ± 0.003°
• γ: 90°
• Cell volume: 8374.1 ± 0.8 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: 0.1589
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.3151
• Weighted residual factors for all reflections included in the refinement: 0.3576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No