Information card for entry 4108758

Structure parameters

• Common name: La@C82BzCl3
• Chemical name: La@C82BzCl3
• Formula: C90 H4 Cl3 La S2
• Calculated formula: C90 H4 Cl3 La S2
• Title of publication: Radical Coupling Reaction of Paramagnetic Endohedral Metallofullerene La@C82
• Authors of publication: Yuta Takano; Akinori Yomogida; Hidefumi Nikawa; Michio Yamada; Takatsugu Wakahara; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Tatsuhisa Kato; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16224 - 16230
• a: 11.276 ± 0.006 Å
• b: 21.827 ± 0.013 Å
• c: 19.094 ± 0.011 Å
• α: 90°
• β: 90.723 ± 0.015°
• γ: 90°
• Cell volume: 4699 ± 5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1712
• Residual factor for significantly intense reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.332
• Weighted residual factors for all reflections included in the refinement: 0.3617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No