Information card for entry 4327414

Structure parameters

• Formula: C21 H28 Cl N3 O13 U
• Calculated formula: C21 H28 Cl N3 O13 U
• SMILES: [U]1([O]=c2c(O1)c(n(cc2)C)C)([O]=c1c(O)c(n(cc1)C)C)([O]=c1c(O)c(n(cc1)C)C)(=O)([OH2])=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, Structure, and Solution Dynamics of UO22±Hydroxy Ketone Compounds [UO2(ma)2(H2O)] and [UO2(dpp)(Hdpp)2(H2O)]ClO4 [ma = 3-Hydroxy-2-methyl-4-pyrone, Hdpp = 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone]
• Authors of publication: Chryssoula Drouza; Volker Gramlich; Michael P. Sigalas; Ioannis Pashalidis; Anastasios D. Keramidas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8336 - 8345
• a: 19.0797 ± 0.0019 Å
• b: 9.8346 ± 0.0006 Å
• c: 15.1557 ± 0.0015 Å
• α: 90°
• β: 104.623 ± 0.009°
• γ: 90°
• Cell volume: 2751.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No