Information card for entry 7108210

Structure parameters

• Formula: C96 H138 N6 O7 U2
• Calculated formula: C96 H138 N6 O7 U2
• SMILES: C1C[N]23CC[N]45[U]2(Oc2c(C3)cc(cc2CC(C)(C)C)C)(O[U]2367[N]8(CCN(CC[N]2(CC8)Cc2c(O7)c(cc(c2)C)CC(C)(C)C)Cc2c(O6)c(cc(c2)C)CC(C)(C)C)Cc2c(O3)c(cc(c2)C)CC(C)(C)C)(Oc2c(C5)cc(cc2CC(C)(C)C)C)Oc2c(CN1CC4)cc(cc2CC(C)(C)C)C.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: 16.3 ± 0.002 Å
• b: 21.497 ± 0.003 Å
• c: 25.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8907 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No