Information card for entry 4127171

Structure parameters

• Common name: U2@C80/NiOEP/CHCl3
• Formula: C117 H46 Cl5 N4 Ni U2
• Calculated formula: C117 H46 Cl5 N4 Ni U1.9984
• Title of publication: U2@Ih(7)-C80: Crystallographic characterization of a long-sought dimetallic actinide endohedral fullerene.
• Authors of publication: Zhang, Xingxing; Wang, Yaofeng; Morales-Martínez, Roser; Zhong, Jun; de Graaf, Coen; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Feng, Lai; Chen, Ning
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 25.1208 ± 0.0009 Å
• b: 15.5044 ± 0.0006 Å
• c: 19.5147 ± 0.0006 Å
• α: 90°
• β: 95.492 ± 0.002°
• γ: 90°
• Cell volume: 7565.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.3419
• Weighted residual factors for all reflections included in the refinement: 0.3706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.576
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No