Information card for entry 4331261

Structure parameters

• Common name: LaSc2N@Ih(7)-C80.(H2OEP).2benzene.0.06Ag
• Formula: C128 H56 Ag0.06 La N5 Sc2
• Calculated formula: C128 H56 Ag0.0601 La N5 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: 25.2727 ± 0.0015 Å
• b: 15.027 ± 0.002 Å
• c: 19.664 ± 0.002 Å
• α: 90°
• β: 94.97 ± 0.006°
• γ: 90°
• Cell volume: 7439.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No