Information card for entry 7134632

Structure parameters

• Formula: C81 H119 I S2 U
• Calculated formula: C81 H119 I 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: 13.4289 ± 0.001 Å
• b: 14.022 ± 0.001 Å
• c: 21.405 ± 0.0016 Å
• α: 85.41 ± 0.001°
• β: 73.355 ± 0.001°
• γ: 80.472 ± 0.001°
• Cell volume: 3806.1 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No