Information card for entry 4106432

Structure parameters

• Common name: Yb@C80Ni(OEP)
• Chemical name: Yb@C80Ni(OEP)
• Formula: C126 H53 N4 Ni S2 Yb
• Calculated formula: C126.254 H53 N4 Ni S2 Yb
• Title of publication: Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene
• Authors of publication: Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10772 - 10775
• a: 15.559 ± 0.004 Å
• b: 15.978 ± 0.004 Å
• c: 17.977 ± 0.004 Å
• α: 76.369 ± 0.003°
• β: 73.643 ± 0.003°
• γ: 64.689 ± 0.003°
• Cell volume: 3842.2 ± 1.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.1654
• Weighted residual factors for significantly intense reflections: 0.5174
• Weighted residual factors for all reflections included in the refinement: 0.5392
• Goodness-of-fit parameter for all reflections included in the refinement: 2.692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No