Information card for entry 2236702

Structure parameters

• Chemical name: Bis[μ-(3-acetyl-2-hydroxy-6-methyl-4<i>H</i>-pyran-4-one-κ^3^<i>O</i>: <i>O</i>',<i>O</i>'')]diaquatetrakis(pyridine-κ<i>N</i>)dicopper(II) diperchlorate
• Formula: C36 H38 Cl2 Cu2 N4 O18
• Calculated formula: C36 H38 Cl2 Cu2 N4 O18
• SMILES: c1cccc[n]1[Cu]1(OC2=C(C(=[O]1)C)C(=O)OC(=C2)C)([OH2])[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis[μ-(3-acetyl-2-hydroxy-6-methyl-4<i>H</i>-pyran-4-one-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'')]diaquatetrakis(pyridine-κ<i>N</i>)dicopper(II) diperchlorate
• Authors of publication: Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1356 - m1357
• a: 9.9371 ± 0.0004 Å
• b: 10.3072 ± 0.0004 Å
• c: 10.444 ± 0.0005 Å
• α: 99.624 ± 0.004°
• β: 90.54 ± 0.003°
• γ: 97.895 ± 0.004°
• Cell volume: 1044.09 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes