Information card for entry 1516892

Structure parameters

• Common name: 11
• Chemical name: 11
• Formula: C53 H86 O3 Si4 U2
• Calculated formula: C53 H86 O3 Si4 U2
• 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: 23.33 ± 0.005 Å
• b: 21.46 ± 0.004 Å
• c: 10.71 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5362.1 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No