Information card for entry 7134634

Structure parameters

• Formula: C72 H98 S2 U
• Calculated formula: C72 H98 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: 9.864 ± 0.009 Å
• b: 17.52 ± 0.016 Å
• c: 20.169 ± 0.018 Å
• α: 87.762 ± 0.011°
• β: 84.587 ± 0.01°
• γ: 85.962 ± 0.01°
• Cell volume: 3460 ± 5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.2594
• Weighted residual factors for all reflections included in the refinement: 0.2753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No