Information card for entry 4133502

Structure parameters

• Formula: C118 H46 Cl6 N4 Ni S0 U
• Calculated formula: C118 H46 Cl6 N4 Ni U0.9996
• 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: 25.18 ± 0.003 Å
• b: 15.2158 ± 0.0018 Å
• c: 19.325 ± 0.002 Å
• α: 90°
• β: 92.509 ± 0.002°
• γ: 90°
• Cell volume: 7397 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1842
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3656
• Weighted residual factors for all reflections included in the refinement: 0.3941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No