Information card for entry 7108211

Structure parameters

• Formula: C106 H147 N6 O9 U2
• Calculated formula: C106 H147 N6 O9 U2
• 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: 17.0385 ± 0.0002 Å
• b: 23.9304 ± 0.0003 Å
• c: 24.1626 ± 0.0003 Å
• α: 90°
• β: 95.986 ± 0.001°
• γ: 90°
• Cell volume: 9798.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No