Information card for entry 1516894

Structure parameters

• Chemical name: 13
• Formula: C55 H90 O3 Si4 U2
• Calculated formula: C55 H90 O3 Si4 U2
• SMILES: C1(O[U]23456789%10%11%12([CH]%13=[C]3([CH]4=[CH]5[CH]6=[CH]9[C]7(=[CH]8%13)[Si](C)(C)C)[Si](C)(C)C)([c]3([c]%10(C)[c]%11([c]%12(C)[c]32C)C)C(C)(C)C)O1)=[O][U]123456789%10%11([c]%12([c]%11([c]%10([c]9([c]8%12C(C)(C)C)C)C)C)C)[C]8(=[CH]1[CH]2=[C]3([CH]4=[CH]5[CH]6=[CH]78)[Si](C)(C)C)[Si](C)(C)C
• 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: 11.737 ± 0.002 Å
• b: 18.983 ± 0.004 Å
• c: 25.761 ± 0.005 Å
• α: 90°
• β: 95.43 ± 0.03°
• γ: 90°
• Cell volume: 5713.9 ± 1.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No