Information card for entry 1516888

Structure parameters

• Common name: 6
• Chemical name: 6
• Formula: C48 H76.5 O Si4 U2
• Calculated formula: C48.014 H76.542 O Si4 U2
• SMILES: [C]12(=[CH]3[CH]4=[C]5([CH]6=[CH]7[CH]8=[CH]1[U]19%10%112345678([c]2([c]1(C)[c]9(C)[c]%10([c]%112C)C)C)O[U]123456789%10%11([C]%12(=[CH]1[CH]2=[C]3([CH]4=[CH]5[CH]6=[CH]7%12)[Si](C)(C)C)[Si](C)(C)C)[c]1(C)[c]8([c]9(C)[c]%10([c]%111C)C)C)[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: 22.913 ± 0.005 Å
• b: 13.686 ± 0.003 Å
• c: 38.185 ± 0.008 Å
• α: 90°
• β: 107.06 ± 0.03°
• γ: 90°
• Cell volume: 11447 ± 5 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: 0.0913
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No