Information card for entry 4134521

Structure parameters

• Formula: C210 H162 Cl6 Cu24 O72
• Calculated formula: C210 H162 Cl6 Cu24 O72
• 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: 25.6664 ± 0.0006 Å
• b: 25.6664 ± 0.0006 Å
• c: 24.6267 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14049.7 ± 0.7 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0598
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No