Information card for entry 2236418

Structure parameters

• Common name: [Bis(5-methoxysalicylidene)-2,2-dimethyl-1,3-propane]copper(II) hydrate
• Chemical name: {4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate
• Formula: C21 H26 Cu N2 O5
• Calculated formula: C21 H26 Cu N2 O5
• SMILES: c12ccc(cc1C=[N]1CC(C)(C[N]3[Cu]1(O2)Oc1ccc(cc1C=3)OC)C)OC.O
• Title of publication: {4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate
• Authors of publication: Ganji, Fatemeh; Kargar, Hadi; Kia, Reza; Mirkhani, Valiollah; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1255
• a: 20.567 ± 0.002 Å
• b: 12.2647 ± 0.0014 Å
• c: 8.4287 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2126.1 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes