Information card for entry 4088448

Structure parameters

• Formula: C28 H42 U
• Calculated formula: C28 H42 U
• SMILES: [c]1([c]2([c]3([c]4([c]51C)C)C)C)(C)[U]234516789(C(=C(C(=C1C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Tuning the Oxidation State, Nuclearity, and Chemistry of Uranium Hydrides with Phenylsilane and Temperature: The Case of the Classic Uranium(III) Hydride Complex [(C5Me5)2U(μ-H)]2
• Authors of publication: Pagano, Justin K.; Dorhout, Jacquelyn M.; Czerwinski, Kenneth R.; Morris, David E.; Scott, Brian L.; Waterman, Rory; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 617
• a: 12.0243 ± 0.0017 Å
• b: 14.635 ± 0.002 Å
• c: 13.996 ± 0.002 Å
• α: 90°
• β: 94.1546 ± 0.0016°
• γ: 90°
• Cell volume: 2456.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No