Information card for entry 1516889

Structure parameters

• Common name: 7
• Chemical name: 7
• Formula: C50 H78 O4 Si4 U2
• Calculated formula: C50 H78 O4 Si4 U2
• SMILES: [U]123456789%10%11%12([c]%13(C)[c]2([c]3(C)[c]4([c]5%13C)C)C)([C]2([Si](C)(C)(C))=[CH]6[CH]7=[C]8([Si](C)(C)C)[CH]9=[CH]%10[CH]%11=[CH]2%12)[O]=C2C(O1)=[O][U]13456789%10%11%12(O2)([c]%13(C)[c]1([c]3(C)[c]4([c]5%13C)C)C)[C]1([Si](C)(C)(C))=[CH]6[CH]7=[C]8([Si](C)(C)C)[CH]9=[CH]%10[CH]%11=[CH]1%12
• 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: 10.48 ± 0.002 Å
• b: 21.616 ± 0.004 Å
• c: 23.669 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5361.9 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No