Information card for entry 4104650

Structure parameters

• Common name: Ce@C82(Ad)-II
• Chemical name: Ce@C82(Ad)-II
• Formula: C109 H50 Ce N S2
• Calculated formula: C109 H50 Ce N S2
• Title of publication: Anisotropic Magnetic Behavior of Anionic Ce@C82 Carbene Adducts
• Authors of publication: Yuta Takano; Motoki Aoyagi; Michio Yamada; Hidefumi Nikawa; Zdenek Slanina; Naomi Mizorogi; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9340 - 9346
• a: 14.709 ± 0.004 Å
• b: 15.587 ± 0.003 Å
• c: 15.703 ± 0.003 Å
• α: 75.603 ± 0.007°
• β: 65.44 ± 0.008°
• γ: 78.677 ± 0.009°
• Cell volume: 3153.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No