Information card for entry 4118695

Structure parameters

• Common name: Lu3N@C80-SiDep2
• Formula: C101 H26 Lu3 N S2 Si
• Calculated formula: C101 H26 Lu2.52 N S2 Si
• Title of publication: Synthesis of Silylene-Bridged Endohedral Metallofullerene Lu3N@Ih-C80
• Authors of publication: Kumiko Sato; Masahiro Kako; Mitsuaki Suzuki; Naomi Mizorogi; Takahiro Tsuchiya; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16033 - 16039
• a: 10.9576 ± 0.001 Å
• b: 17.286 ± 0.0015 Å
• c: 28.76 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5447.5 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No