Information card for entry 4107686

Structure parameters

• Formula: C44 H73 Br N U
• Calculated formula: C38 H59 Br N U
• SMILES: [U]12345678(Br)(=Nc9c(cc(cc9C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding
• Authors of publication: Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5272 - 5285
• a: 11.24 ± 0.002 Å
• b: 13.272 ± 0.003 Å
• c: 13.89 ± 0.003 Å
• α: 88.584 ± 0.003°
• β: 86.627 ± 0.003°
• γ: 74.635 ± 0.003°
• Cell volume: 1994.5 ± 0.7 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 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: 0.0683
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No