Information card for entry 4120281

Structure parameters

• Formula: C88 H168 N4 O16 Si4 U2
• Calculated formula: C88 H168 N4 O16 Si4 U2
• SMILES: [U]12([N](C34CC5CC(C3)CC(C4)C5)=[U]([O]2[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)=NC12CC3CC(C1)CC(C2)C3)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(=NC12CC3CC(C1)CC(C2)C3)=NC12CC3CC(C1)CC(C2)C3
• Title of publication: Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands
• Authors of publication: Clément Camp; Jacques Pécaut; Marinella Mazzanti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12101 - 12111
• a: 15.56 ± 0.0007 Å
• b: 28.0501 ± 0.0011 Å
• c: 25.1711 ± 0.0011 Å
• α: 90°
• β: 97.154 ± 0.005°
• γ: 90°
• Cell volume: 10900.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1939
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No