Information card for entry 4134518

Structure parameters

• Formula: C84 H12 Cu6 F42 O18
• Calculated formula: C84 H12 Cu6 F42 O18
• 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: 14.22334 ± 0.00008 Å
• b: 14.22334 ± 0.00008 Å
• c: 37.3147 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6537.53 ± 0.06 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.32
• Weighted residual factors for all reflections included in the refinement: 0.3211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No