Information card for entry 4117766

Structure parameters

• Formula: C36 H49 O0.5 P2 U
• Calculated formula: C36 H49 O0.5 P2 U
• SMILES: [U]1([P](CC[P]1(C)C)(C)C)(Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.O(CC)CC
• Title of publication: Carbon-Carbon Reductive Elimination from Homoleptic Uranium(IV) Alkyls Induced by Redox-Active Ligands
• Authors of publication: Steven J. Kraft; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6160 - 6168
• a: 11.3441 ± 0.0002 Å
• b: 16.1454 ± 0.0003 Å
• c: 21.4984 ± 0.0004 Å
• α: 105.701 ± 0.0006°
• β: 98.6041 ± 0.0007°
• γ: 110.11 ± 0.0006°
• Cell volume: 3428.88 ± 0.11 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 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: 0.09
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No