Information card for entry 4112619

Structure parameters

• Formula: C94.5 H14 La S5
• Calculated formula: C94.5 H14 La S5
• Title of publication: Isolation and Characterization of a Carbene Derivative of La@C82
• Authors of publication: Yutaka Maeda; Yoichiro Matsunaga; Takatsugu Wakahara; Satomi Takahashi; Takahiro Tsuchiya; Midori O. Ishitsuka; Tadashi Hasegawa; Takeshi Akasaka; Michael T. H. Liu; Kisato Kokura; Ernst Horn; Kenji Yoza; Tatsuhisa Kato; Shingo Okubo; Kaoru Kobayashi; Shigeru Nagase; Kazunori Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6858 - 6859
• a: 11.3213 ± 0.0005 Å
• b: 21.9299 ± 0.0009 Å
• c: 20.9749 ± 0.0009 Å
• α: 90°
• β: 101.184 ± 0.001°
• γ: 90°
• Cell volume: 5108.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.1229
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No