Information card for entry 4110757

Structure parameters

• Formula: C117 H46 N Sc3 Si2
• Calculated formula: C117 H46 N Sc3 Si2
• Title of publication: Characterization of the Bis-Silylated Endofullerene Sc3N@C80
• Authors of publication: Takatsugu Wakahara; Yuko Iiduka; Ozora Ikenaga; Tsukasa Nakahodo; Akihiro Sakuraba; Takahiro Tsuchiya; Yutaka Maeda; Masahiro Kako; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9919 - 9925
• a: 20.4678 ± 0.0014 Å
• b: 20.4678 ± 0.0014 Å
• c: 15.804 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6620.8 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1501
• Residual factor for significantly intense reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.3787
• Weighted residual factors for all reflections included in the refinement: 0.3804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No