Information card for entry 4130007

Structure parameters

• Formula: C80 H178 Cs2 N O26 Si6 U2
• Calculated formula: C80 H178 Cs2 N O26 Si6 U2
• SMILES: [U](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)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)=[N]=[U](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)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[Cs+].[Cs+].O1CCCC1.O1CCCC1
• Title of publication: Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes.
• Authors of publication: Chatelain, Lucile; Scopelliti, Rosario; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1784 - 1787
• a: 14.155 ± 0.003 Å
• b: 29.331 ± 0.007 Å
• c: 27.558 ± 0.005 Å
• α: 90°
• β: 91.061 ± 0.016°
• γ: 90°
• Cell volume: 11440 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1196
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No