Information card for entry 7129920

Structure parameters

• Formula: C150 H78 Cu34 F30 O78 S14
• Calculated formula: C150 H78 Cu34 F30 O78 S14
• 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: 17.0534 ± 0.0003 Å
• b: 17.7446 ± 0.0004 Å
• c: 18.0961 ± 0.0004 Å
• α: 64.831 ± 0.002°
• β: 74.884 ± 0.002°
• γ: 74.914 ± 0.002°
• Cell volume: 4714.17 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No