Information card for entry 2226634

Structure parameters

• Chemical name: [(1<i>S</i>,2<i>S</i>)-2-(1-{[2-(2- Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']copper(II)
• Formula: C21 H22 Cu N2 O2
• Calculated formula: C21 H22 Cu N2 O2
• SMILES: [Cu]123Oc4ccccc4C(=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)C
• Title of publication: [(1<i>S</i>,2<i>S</i>)-2-(1-{[2-(2-Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']copper(II)
• Authors of publication: Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m813
• a: 9.6699 ± 0.0003 Å
• b: 7.7324 ± 0.0002 Å
• c: 12.1847 ± 0.0004 Å
• α: 90°
• β: 111.649 ± 0.002°
• γ: 90°
• Cell volume: 846.8 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes