Information card for entry 1508068

Structure parameters

• Formula: C60 Cl6 Li Sb
• Calculated formula: C60 Cl6 Li Sb
• Title of publication: A layered ionic crystal of polar Li@C(60) superatoms.
• Authors of publication: Aoyagi, Shinobu; Nishibori, Eiji; Sawa, Hiroshi; Sugimoto, Kunihisa; Takata, Masaki; Miyata, Yasumitsu; Kitaura, Ryo; Shinohara, Hisanori; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Yokoo, Kuniyoshi; Ono, Shoichi; Omote, Kenji; Kasama, Yasuhiko; Ishikawa, Shinsuke; Komuro, Takashi; Tobita, Hiromi
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 678 - 683
• a: 12.297 ± 0.001 Å
• b: 9.9506 ± 0.001 Å
• c: 29.05 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3554.6 ± 0.6 ų
• Cell temperature: 370 K
• Ambient diffraction temperature: 370 K
• Number of distinct elements: 4
• Space group number: 38
• Hermann-Mauguin space group symbol: A m m 2
• Hall space group symbol: A 2 -2
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.3525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No