Information card for entry 2217999

Structure parameters

• Chemical name: (2S)-[2-(3,5-Dichloro-2-oxidobenzylideneamino)-3-(4-hydroxyphenyl)propionato- κ^3^O,N,O'](dimethylformamide-κO)copper(II)
• Formula: C19 H18 Cl2 Cu N2 O5
• Calculated formula: C19 H18 Cl2 Cu N2 O5
• SMILES: [Cu@]12([N]([C@H](C(=O)O1)Cc1ccc(O)cc1)=Cc1c(O2)c(Cl)cc(Cl)c1)[O]=CN(C)C
• Title of publication: [(2<i>S</i>)-2-(3,5-Dichloro-2-oxidobenzylideneamino)-3-(4-hydroxyphenyl)propionato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'](dimethylformamide-κ<i>O</i>)copper(II)
• Authors of publication: Tan, Ming-Xiong; Chen, Zhen-Feng; Neng, Zhou; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m599 - m600
• a: 5.8646 ± 0.0016 Å
• b: 13.22 ± 0.002 Å
• c: 26.85 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2081.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes