Information card for entry 2204682

Structure parameters

• Chemical name: Bis[4-chloro-2-(2-hydroxyethyliminomethyl)phenolato-κ^2^N,O]copper(II)
• Formula: C18 H18 Cl2 Cu N2 O4
• Calculated formula: C18 H18 Cl2 Cu N2 O4
• SMILES: [Cu]123(Oc4ccc(Cl)cc4C=[N]2CC[OH][Cu]2[N](=Cc4c(O2)ccc(Cl)c4)CC[OH]1)(Oc1ccc(Cl)cc1C=[N]3CCO)[OH]CCN=Cc1cc(Cl)ccc1[O-]
• Title of publication: Bis[4-chloro-2-(2-hydroxyethyliminomethyl)phenolato-κ^2^<i>N,O</i>]copper(II)
• Authors of publication: Huiyan Liu; Haiying Wang; Dezhong Niu; Zaisheng Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1941 - m1942
• a: 4.9589 ± 0.0012 Å
• b: 16.872 ± 0.004 Å
• c: 10.711 ± 0.002 Å
• α: 90°
• β: 94.53 ± 0.005°
• γ: 90°
• Cell volume: 893.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes