Information card for entry 7108212

Structure parameters

• Formula: C292 H372 K4 N12 O24 U4
• Calculated formula: C292 H372 K4 N12 O24 U4
• SMILES: C1CN2CCN3CC[N]41Cc1c(O[U]54(Oc4c(C2)cc(cc4CC(C)(C)C)C)(Oc2c(C3)cc(cc2CC(C)(C)C)C)OC(O5)=O)c(cc(c1)C)CC(C)(C)C.[K+].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Uranium-Mediated Reductive Conversion of CO2 to CO and Carbonate in a Single-Vessel, Closed Synthetic Cycle
• Authors of publication: Anna-Corina Schmidt; Alexey V. Nizovtsev; Andreas Scheurer; Frank W. Heinemann; Karsten Meyer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8634
• a: 18.9925 ± 0.0004 Å
• b: 20.0409 ± 0.0004 Å
• c: 21.895 ± 0.0004 Å
• α: 71.285 ± 0.001°
• β: 65.118 ± 0.001°
• γ: 63.811 ± 0.001°
• Cell volume: 6690 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No