Information card for entry 7032717

Structure parameters

• Formula: C20 H24 N2 O5 U
• Calculated formula: C20 H24 N2 O5 U
• SMILES: [U]123(Oc4ccccc4C=[N]2CC(C[N]3=Cc2c(O1)cccc2)(C)C)(=O)(=O)[OH]C
• Title of publication: Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach.
• Authors of publication: Azam, Mohammad; Al-Resayes, Saud I; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam; Wagler, Jörg; Kroke, Edwin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 568 - 577
• a: 11.9341 ± 0.0006 Å
• b: 12.2074 ± 0.0005 Å
• c: 15.0211 ± 0.0008 Å
• α: 90°
• β: 105.791 ± 0.004°
• γ: 90°
• Cell volume: 2105.75 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No