Information card for entry 4118890

Structure parameters

• Common name: Yb@C2v(9)-C82/NiOEP/2(benzene)
• Formula: C130 H56 N4 Ni Yb
• Calculated formula: C130 H55.77 N4 Ni Yb0.85
• Title of publication: Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)
• Authors of publication: Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18772 - 18778
• a: 25.264 ± 0.004 Å
• b: 15.169 ± 0.002 Å
• c: 19.869 ± 0.003 Å
• α: 90°
• β: 95.078 ± 0.002°
• γ: 90°
• Cell volume: 7584.5 ± 1.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0945
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.2421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No