Information card for entry 7048244

Structure parameters

• Formula: C15 H13 Cl N6 Na2 O14 U
• Calculated formula: C15 H13 Cl N6 Na2 O14 U
• SMILES: [U]1(OC(=O)c2[n]1nccc2)(OC(=O)c1nnccc1)(OC(=O)c1nnccc1)(=O)=O.Cl(=O)(=O)(=O)[O-].O.O.[Na+].[Na+]
• Title of publication: A structural and thermodynamic study of the complexes of U(vi) with azinecarboxylates.
• Authors of publication: Lv, Lina; Chen, Baihua; Liu, Jun; Chen, Jing; Xu, Chao; Yang, Yanqiu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 566 - 577
• a: 15.1242 ± 0.0003 Å
• b: 7.0651 ± 0.0001 Å
• c: 23.2973 ± 0.0005 Å
• α: 90°
• β: 104.6 ± 0.002°
• γ: 90°
• Cell volume: 2409.02 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No