Information card for entry 4105410

Structure parameters

• Formula: C40 H59 N2 U
• Calculated formula: C40 H59 N2 U
• SMILES: [U]123456789(=NC%10%11CC%12CC(C%10)CC(C%11)C%12)(N(C[c]%105[c]6([c]7([c]8([c]9%10C)C)C)C)C56CC7CC(C5)CC(C6)C7)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Synthesis of Heteroleptic Uranium (μ-η6:η6-C6H6)2- Sandwich Complexes via Facile Displacement of (η5-C5Me5)1- by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds
• Authors of publication: William J. Evans; Christopher A. Traina; Joseph W. Ziller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17473 - 17481
• a: 9.9011 ± 0.0006 Å
• b: 13.3585 ± 0.0008 Å
• c: 15.3247 ± 0.0009 Å
• α: 84.6455 ± 0.0007°
• β: 80.706 ± 0.0007°
• γ: 80.4456 ± 0.0007°
• Cell volume: 1967.9 ± 0.2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No