Information card for entry 4133015

Structure parameters

• Formula: C34 H51 K N5 O12 U
• Calculated formula: C34 H51 K N5 O12 U
• SMILES: [U]1234(=O)(=O)OC(=O)c5[n]2c(ccc5)C[N]3(Cc2[n]4c(ccc2)C(=O)O1)CC.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• Title of publication: Synthesis and Characterization of a Water Stable Uranyl(V) Complex.
• Authors of publication: Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13554 - 13557
• a: 12.6577 ± 0.0003 Å
• b: 23.5758 ± 0.0004 Å
• c: 15.4346 ± 0.0003 Å
• α: 90°
• β: 107.908 ± 0.002°
• γ: 90°
• Cell volume: 4382.77 ± 0.16 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No