Information card for entry 4123162

Structure parameters

• Common name: La2@D5h-C80(C3N3(C6H5)2)
• Formula: C96.5 H10 La2 N3 S3
• Calculated formula: C96.5 H10 La2 N3 S3
• Title of publication: Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.
• Authors of publication: Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 232 - 238
• a: 23.242 ± 0.011 Å
• b: 10.988 ± 0.005 Å
• c: 22.219 ± 0.01 Å
• α: 90°
• β: 112.174 ± 0.005°
• γ: 90°
• Cell volume: 5255 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2144
• Residual factor for significantly intense reflections: 0.1652
• Weighted residual factors for significantly intense reflections: 0.3419
• Weighted residual factors for all reflections included in the refinement: 0.368
• 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