Information card for entry 4118059

Structure parameters

• Formula: C92 H95 Cl N2 O3 P3 U
• Calculated formula: C78 H79 Cl N2 O3 P3 U
• SMILES: [U](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Direct Route to Bis(imido)uranium(V) Halides via Metathesis of Uranium Tetrachloride
• Authors of publication: Robert E. Jilek; Liam P. Spencer; Richard A. Lewis; Brian L. Scott; Trevor W. Hayton; James M. Boncella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9876 - 9878
• a: 14.038 ± 0.004 Å
• b: 39.25 ± 0.011 Å
• c: 14.581 ± 0.004 Å
• α: 90°
• β: 102.03 ± 0.004°
• γ: 90°
• Cell volume: 7858 ± 4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No