Information card for entry 1559845

Structure parameters

• Formula: C189 H28 S10 Th2
• Calculated formula: C189 H28 S10.008 Th2
• Title of publication: Synthesis and characterization of carbene derivatives of Th@<i>C</i> _3v(8)-C₈₂ and U@<i>C</i> _2v(9)-C₈₂: exceptional chemical properties induced by strong actinide-carbon cage interaction.
• Authors of publication: Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2488 - 2497
• a: 21.6511 ± 0.0004 Å
• b: 21.3564 ± 0.0004 Å
• c: 22.0916 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10214.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No