Information card for entry 7134633

Structure parameters

• Formula: C72 H98 K S2 U
• Calculated formula: C72 H98 K S2 U
• Title of publication: Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U(II) complex, U(SAr^iPr6)₂ [Ar^iPr6 = C₆H₃-2,6-(C₆H₂-2,4,6-ⁱPr₃)₂].
• Authors of publication: Queen, Joshua D.; Ma, Eric; Rajabi, Ahmadreza; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 56
• Pages of publication: 10319 - 10322
• a: 14.272 ± 0.0003 Å
• b: 19.9414 ± 0.0004 Å
• c: 24.2485 ± 0.0005 Å
• α: 90°
• β: 98.185 ± 0.002°
• γ: 90°
• Cell volume: 6830.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No