Information card for entry 4105198

Structure parameters

• Chemical name: Potassium tetrahydrofuran Uranium(IV) hexakis(benzyl)
• Formula: C52 H58 K2 O2.5 U
• Calculated formula: C52 H58 K2 O2.5 U
• SMILES: c1ccc(cc1)C[U](Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[K][O]1CCCC1.[K][O]1CCCC1.O1CCCC1
• Title of publication: Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization
• Authors of publication: Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15512 - 15521
• a: 34.548 ± 0.002 Å
• b: 14.5329 ± 0.001 Å
• c: 19.1876 ± 0.0013 Å
• α: 90°
• β: 78.504 ± 0.002°
• γ: 90°
• Cell volume: 9440.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No