Information card for entry 4133503

Structure parameters

• Formula: C113 H45 Cl3 I0 N4 Ni S0 U
• Calculated formula: C113 H45 Cl3 N4 Ni U
• Title of publication: Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C₁(17418)-C₇₆, U@ C₁(28324)-C₈₀, and Th@ C₁(28324)-C₈₀: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.
• Authors of publication: Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 18039 - 18050
• a: 18.686 ± 0.005 Å
• b: 15.184 ± 0.004 Å
• c: 25.496 ± 0.006 Å
• α: 90°
• β: 91.39 ± 0.006°
• γ: 90°
• Cell volume: 7232 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.3435
• Weighted residual factors for all reflections included in the refinement: 0.375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No