Information card for entry 4328709

Structure parameters

• Formula: C16 H22 N4 O6 U
• Calculated formula: C16 H22 N4 O6 U
• SMILES: C(N)(=[N]1O[U]21(=O)(=O)([N](=C(N)c1ccccc1)O2)([OH]C)[OH]C)c1ccccc1
• Title of publication: How Amidoximate Binds the Uranyl Cation
• Authors of publication: Sinisa Vukovic; Lori A. Watson; Sung Ok Kang; Radu Custelcean; Benjamin P. Hay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3855 - 3859
• a: 10.5257 ± 0.0008 Å
• b: 5.7345 ± 0.0005 Å
• c: 16.0667 ± 0.0013 Å
• α: 90°
• β: 102.617 ± 0.001°
• γ: 90°
• Cell volume: 946.36 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.026
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No