Information card for entry 2231919

Structure parameters

• Chemical name: {5,5'-Dimethoxy-2,2'-[1,1'-(2,2-dimethylpropane-1,3-diyldinitrilo)\ diethylidyne]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',\ <i>O</i>'}copper(II) monohydrate
• Formula: C23 H30 Cu N2 O5
• Calculated formula: C23 H30 Cu N2 O5
• SMILES: [Cu]123Oc4cc(OC)ccc4C(=[N]2CC(C)(C)C[N]3=C(C)c2ccc(OC)cc2O1)C.O
• Title of publication: {5,5'-Dimethoxy-2,2'-[1,1'-(2,2-dimethylpropane-1,3-diyldinitrilo)diethylidyne]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) monohydrate
• Authors of publication: Ghaemi, Akbar; Rayati, Saeed; Elahi, Ehsan; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1445 - m1446
• a: 10.4721 ± 0.0007 Å
• b: 10.8023 ± 0.0009 Å
• c: 10.8487 ± 0.0007 Å
• α: 106.699 ± 0.007°
• β: 99.823 ± 0.005°
• γ: 100.035 ± 0.006°
• Cell volume: 1125.37 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes