Information card for entry 2207771

Structure parameters

• Common name: Bis[3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato]bis(dimethyl sulfoxide)copper(II)
• Formula: C20 H26 Cu O10 S2
• Calculated formula: C20 H26 Cu O10 S2
• SMILES: C12O[Cu]3([O]=C(C=2C(=O)OC(=C1)C)C)([O]=S(C)C)(OC1C=C(C)OC(=O)C=1C(=[O]3)C)[O]=S(C)C
• Title of publication: Bis[3-acetyl-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dionato]bis(dimethyl sulfoxide)copper(II)
• Authors of publication: Amel, Djedouani; Abderrahmen, Bendaâs; Bouacida, Sofiane; Adel, Beghidja; Tahar, Douadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m133 - m135
• a: 11.58 ± 0.005 Å
• b: 6.32 ± 0.005 Å
• c: 16.424 ± 0.005 Å
• α: 90°
• β: 92.27 ± 0.05°
• γ: 90°
• Cell volume: 1201.1 ± 1.1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 295 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: 0.0564
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes