Information card for entry 4108385

Structure parameters

• Common name: Gd@C82Ad
• Chemical name: Gd@C82Ad
• Formula: C96.5 H15.5 Cl1.5 Gd S3
• Calculated formula: C96.5 H15.5 Cl1.5 Gd S3
• Title of publication: Does Gd@C82 Have an Anomalous Endohedral Structure? Synthesis and Single Crystal X-ray Structure of the Carbene Adduct
• Authors of publication: Takeshi Akasaka; Takayoshi Kono; Yuji Takematsu; Hidefumi Nikawa; Tsukasa Nakahodo; Takatsugu Wakahara; Midori O. Ishitsuka; Takahiro Tsuchiya; Yutaka Maeda; Michael T. H. Liu; Kenji Yoza; Tatsuhisa Kato; Kazunori Yamamoto; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12840 - 12841
• a: 11.3584 ± 0.0013 Å
• b: 22.03 ± 0.003 Å
• c: 20.938 ± 0.002 Å
• α: 90°
• β: 101.35 ± 0.001°
• γ: 90°
• Cell volume: 5136.8 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0763
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No