Information card for entry 4133016

Structure parameters

• Formula: C16 H15 D10 N3 O11 U
• Calculated formula: C16 H15 D10 N3 O11 U
• SMILES: [U]1234(=O)(=O)(OC(=O)c5[n]2c(ccc5)C[N]3(Cc2[n]4c(ccc2)C(=O)O1)CC)[O]([2H])[2H].O([2H])[2H].O([2H])[2H].O([2H])[2H].O([2H])[2H]
• 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: 6.8944 ± 0.0008 Å
• b: 11.1491 ± 0.0012 Å
• c: 14.7213 ± 0.0015 Å
• α: 67.959 ± 0.007°
• β: 81.512 ± 0.01°
• γ: 82.702 ± 0.01°
• Cell volume: 1034.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No