Information card for entry 7129919

Structure parameters

• Formula: C204 H96 Cu24 F72 O72
• Calculated formula: C204 H96 Cu24 F72 O72
• 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: 32.3438 ± 0.0003 Å
• b: 32.3438 ± 0.0003 Å
• c: 18.034 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16338.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No