Information card for entry 4134520

Structure parameters

• Formula: C148 H92 Cu24 F72 O78
• Calculated formula: C148 H92 Cu24 F72 O78
• Title of publication: Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a C₆₀@Cu₂₄ Rhombicuboctahedron.
• Authors of publication: Zhan, Shun-Ze; Zhang, Guo-Hui; Li, Jing-Hong; Liu, Jia-Li; Zhu, Si-Hui; Lu, Weigang; Zheng, Ji; Ng, Seik Weng; Li, Dan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 5943 - 5947
• a: 17.717 ± 0.0003 Å
• b: 17.7627 ± 0.0006 Å
• c: 17.8073 ± 0.0004 Å
• α: 63.11 ± 0.003°
• β: 88.8395 ± 0.0017°
• γ: 86.946 ± 0.002°
• Cell volume: 4990.9 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No