Information card for entry 2211564

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}- (ethanol)dioxouranium(VI)
• Formula: C20 H24 N2 O7 U
• Calculated formula: C20 H24 N2 O7 U
• SMILES: [U]123(Oc4c(cccc4OC)C=[N]2CC[N]3=Cc2cccc(OC)c2O1)([OH]CC)(=O)=O
• Title of publication: {6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(ethanol)dioxouranium(VI)
• Authors of publication: Nuray Şenyüz; Çiĝdem Yüksektepe; Hümeyra Batı; Nezihe Çalışkan; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3163 - m3164
• a: 9.2132 ± 0.0004 Å
• b: 23.6595 ± 0.001 Å
• c: 19.7075 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4295.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes