Information card for entry 7102027

Structure parameters

• Common name: La2@C80(Dep2Si)2CH2
• Formula: C122 H54 La2 S2 Si2
• Calculated formula: C122 H54 La2 S2 Si2
• Title of publication: Two-dimensional hopping motion of encapsulated La atoms in silylated La(2)@C(80).
• Authors of publication: Wakahara, Takatsugu; Yamada, Michio; Takahashi, Satomi; Nakahodo, Tsukasa; Tsuchiya, Takahiro; Maeda, Yutaka; Akasaka, Takeshi; Kako, Masahiro; Yoza, Kenji; Horn, Ernst; Mizorogi, Naomi; Nagase, Shigeru
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2680 - 2682
• a: 18.234 ± 0.002 Å
• b: 19.326 ± 0.003 Å
• c: 20.834 ± 0.003 Å
• α: 90°
• β: 90.445 ± 0.002°
• γ: 90°
• Cell volume: 7341.48 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.2903
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No