Information card for entry 7223967

Structure parameters

• Common name: Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi)
• Formula: C6 H10 O8 U
• Calculated formula: C6 H10 O8 U
• SMILES: [U]12(=O)(OC(=[O]2)C=C)(OC(=[O]1)C=C)(=O)([OH2])[OH2]
• Title of publication: Structural diversity of uranyl acrylates
• Authors of publication: Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1723
• a: 10.7059 ± 0.001 Å
• b: 7.7322 ± 0.0007 Å
• c: 13.5945 ± 0.0012 Å
• α: 90°
• β: 107.093 ± 0.002°
• γ: 90°
• Cell volume: 1075.65 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No