Information card for entry 4118061

Structure parameters

• Common name: apx1179
• Formula: C60 H82 Br N6 U
• Calculated formula: C60 H82 Br N6 U
• SMILES: [U]12(Br)(=Nc3c(cccc3C(C)C)C(C)C)(=Nc3c(cccc3C(C)C)C(C)C)([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C
• 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: 15.2445 ± 0.0017 Å
• b: 20.288 ± 0.002 Å
• c: 18.833 ± 0.002 Å
• α: 90°
• β: 102.641 ± 0.001°
• γ: 90°
• Cell volume: 5683.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No