Information card for entry 7007678

Structure parameters

• Formula: C18 H36 N6 O18 U2
• Calculated formula: C18 H36 N6 O18 U2
• SMILES: C1(=O)C[NH]2CC[NH]3[U]2(=O)(=O)(O1)(OC(=O)C3)OC(=O)C[NH2+]CC[NH2+]CC(=O)O[U]123([NH](CC(=O)O2)CC[NH]1CC(=O)O3)(=O)=O.O.O
• Title of publication: Structure, equilibrium and ligand exchange dynamics in the binary and ternary dioxouranium(VI)-ethylenediamine-N,N'-diacetic acid-fluoride system: A potentiometric, NMR and X-ray crystallographic study.
• Authors of publication: Palladino, Giuseppe; Szabó, Zoltán; Fischer, Andreas; Grenthe, Ingmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 43
• Pages of publication: 5176 - 5183
• a: 18.805 ± 0.002 Å
• b: 6.3685 ± 0.0003 Å
• c: 12.865 ± 0.001 Å
• α: 90°
• β: 102.775 ± 0.007°
• γ: 90°
• Cell volume: 1502.6 ± 0.2 ų
• Cell temperature: 299 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: 0.0416
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No