Information card for entry 4067538

Structure parameters

• Formula: C41 H49 N U
• Calculated formula: C41 H49 N U
• Title of publication: Insertion Reactivity of CO2, PhNCO, Me3CC≡N, and Me3CN≡C with the Uranium−Alkynyl Bonds in (C5Me5)2U(C≡CPh)2
• Authors of publication: Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 945
• a: 10.7666 ± 0.0008 Å
• b: 10.3076 ± 0.0008 Å
• c: 32.17 ± 0.003 Å
• α: 90°
• β: 96.451 ± 0.001°
• γ: 90°
• Cell volume: 3547.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No