Information card for entry 7102854

Structure parameters

• Formula: C117.5 H46 Ce2 S5 Si2
• Calculated formula: C117.5 H46 Ce2 S5 Si2
• Title of publication: Location of the metal atoms in Ce2@C78 and its bis-silylated derivative.
• Authors of publication: Yamada, Michio; Wakahara, Takatsugu; Tsuchiya, Takahiro; Maeda, Yutaka; Kako, Masahiro; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Mizorogi, Naomi; Nagase, Shigeru
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 558 - 560
• a: 11.351 ± 0.003 Å
• b: 23.56 ± 0.006 Å
• c: 28.117 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7519 ± 3 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No