Information card for entry 4134519

Structure parameters

• Common name: 7F-12
• Formula: C137 H32 Cl2 Cu13 F113 O42
• Calculated formula: C137 H32 Cl2 Cu13 F113 O42
• 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: 13.5207 ± 0.0002 Å
• b: 18.2853 ± 0.0003 Å
• c: 18.8367 ± 0.0002 Å
• α: 107.685 ± 0.001°
• β: 108.685 ± 0.001°
• γ: 95.644 ± 0.001°
• Cell volume: 4103.1 ± 0.11 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0958
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2559
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No