Information card for entry 7129921

Structure parameters

• Formula: C139 H60 Cu32 F36 O72 S12
• Calculated formula: C139 H60 Cu32 F36 O72 S12
• Title of publication: Regioisomeric Core-shell Cuprofullerene C60@Cu24
• Authors of publication: Guo, You-Shi; Zhan, Shun-Ze; Zhong, Jia-Jing; Lu, Weigang; Ng, Seik Weng; Li, Dan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.0045 ± 0.0003 Å
• b: 19.5007 ± 0.0004 Å
• c: 24.9159 ± 0.0006 Å
• α: 90°
• β: 91.855 ± 0.002°
• γ: 90°
• Cell volume: 8257.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No