Information card for entry 4330088

Structure parameters

• Formula: C12 H24 O14 S2 U2
• Calculated formula: C12 H24 O14 S2 U2
• SMILES: S(C)(=[O][U]12(=O)([O]=C(C)O1)([O]=C(C)O[U]1(=O)(=O)([O]=C(C)O1)([O]=S(C)C)[O]=C(C)O2)=O)C
• Title of publication: Energetics and Structure of Uranium(VI)-Acetate Complexes in Dimethyl Sulfoxide
• Authors of publication: Plinio Di Bernardo; Pier Luigi Zanonato; Franco Benetollo; Andrea Melchior; Marilena Tolazzi; Linfeng Rao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9045 - 9055
• a: 7.914 ± 0.002 Å
• b: 13.354 ± 0.003 Å
• c: 11.792 ± 0.003 Å
• α: 90°
• β: 103.46 ± 0.03°
• γ: 90°
• Cell volume: 1212 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No