Information card for entry 2227803

Structure parameters

• Chemical name: {6,6'-Diethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}copper(II)
• Formula: C26 H26 Cu N2 O4
• Calculated formula: C26 H26 Cu N2 O4
• SMILES: c12c(cccc1C=[N]1c3cc(C)c(cc3[N]3=Cc4c(c(ccc4)OCC)O[Cu]13O2)C)OCC
• Title of publication: {6,6'-Diethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}copper(II)
• Authors of publication: Jamshidvand, Arezoo; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1473
• a: 14.9755 ± 0.0007 Å
• b: 15.8803 ± 0.0007 Å
• c: 12.2264 ± 0.0006 Å
• α: 90°
• β: 119.285 ± 0.002°
• γ: 90°
• Cell volume: 2536 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes