Information card for entry 1516885

Structure parameters

• Common name: 2
• Chemical name: 2
• Formula: C29 H49 O Si2 U
• Calculated formula: C29 H49 O Si2 U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]16789%10%112345([O]2CCCC2)[CH]2=[CH]%11[CH]%10=[C]8([CH]1=[CH]9[C]6(=[CH]72)[Si](C)(C)C)[Si](C)(C)C)C)C)C)CC
• Title of publication: Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes
• Authors of publication: Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 3777
• a: 10.84 ± 0.002 Å
• b: 14.869 ± 0.003 Å
• c: 19.149 ± 0.004 Å
• α: 90°
• β: 91.19 ± 0.03°
• γ: 90°
• Cell volume: 3085.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No