Information card for entry 4328710

Structure parameters

• Formula: C6 H18 N4 O6 U
• Calculated formula: C6 H18 N4 O6 U
• SMILES: O=[U]12(=O)([OH]C)([N](=C(C)N)O1)([N](=C(C)N)O2)[OH]C
• 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: 5.8369 ± 0.0005 Å
• b: 8.1327 ± 0.0006 Å
• c: 13.7292 ± 0.0011 Å
• α: 90°
• β: 91.697 ± 0.001°
• γ: 90°
• Cell volume: 651.44 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No