Information card for entry 2214963

Structure parameters

• Chemical name: Bis(3-acetyl-6-methyl-2-oxo-2<i>H</i>-pyran-4-\ olato)bis(dimethylformamide)copper(II)
• Formula: C22 H28 Cu N2 O10
• Calculated formula: C22 H28 Cu N2 O10
• SMILES: [O]1[Cu]2(OC3C=C(C)OC(=O)C=3C=1C)(OC1C=C(C)OC(=O)C=1C(=[O]2)C)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: Bis(3-acetyl-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato)bis(dimethylformamide)copper(II)
• Authors of publication: Bouchama, Abdelaziz; Bendaâs, Abderrahmen; Chiter, Chaabane; Beghidja, Adel; Djedouani, Amel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2397 - m2397
• a: 7.6894 ± 0.0002 Å
• b: 8.5406 ± 0.0002 Å
• c: 9.3858 ± 0.0003 Å
• α: 84.87 ± 0.001°
• β: 86.964 ± 0.001°
• γ: 78.852 ± 0.002°
• Cell volume: 601.93 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes