Information card for entry 1516893

Structure parameters

• Common name: 12
• Chemical name: 12
• Formula: C58 H86 O3 Si4 U2
• Calculated formula: C53 H85.5 O3 Si4 U2
• SMILES: [U]123456789%10%11%12([CH]%13=[CH]4[C]5([Si](C)(C)C)=[CH]2[CH]6=[CH]7[CH]3=[C]8%13[Si](C)(C)C)([c]2(C(C)C)[c]9(C)[c]%10(C)[c]%11([c]2%12C)C)[O]=C(O1)O[U]123456789%10%11([CH]%12=[CH]4[C]5([Si](C)(C)C)=[CH]2[CH]6=[CH]7[CH]3=[C]8%12[Si](C)(C)C)[c]2(C(C)C)[c]9(C)[c]%10(C)[c]%11([c]21C)C
• Title of publication: Controlling selectivity in the reductive activation of CO2 by 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: 43.8503 ± 0.0011 Å
• b: 10.3313 ± 0.0002 Å
• c: 24.2758 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10997.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No