Information card for entry 4331260

Structure parameters

• Common name: LaSc2N@Ih(7)-C80.Ni(OEP).2benzene
• Formula: C128 H56 La N5 Ni Sc2
• Calculated formula: C128 H56 La N5 Ni Sc2
• Title of publication: Selective Synthesis, Isolation, and Crystallographic Characterization of LaSc2N@Ih-C80
• Authors of publication: Steven Stevenson; Coralie B. Rose; Juliya S. Maslenikova; Jimmy R. Villarreal; Mary A. Mackey; Brandon Q. Mercado; Kelly Chen; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13096 - 13102
• a: 25.3518 ± 0.0008 Å
• b: 14.9702 ± 0.0008 Å
• c: 19.6995 ± 0.0008 Å
• α: 90°
• β: 95.385 ± 0.004°
• γ: 90°
• Cell volume: 7443.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No