Information card for entry 2218009

Structure parameters

• Chemical name: [(<i>E</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)
• Formula: C19 H18 Br2 Cu N2 O5
• Calculated formula: C19 H18 Br2 Cu N2 O5
• SMILES: [Cu]12(Oc3c(C=[N]1C(C(=O)O2)Cc1ccc(O)cc1)cc(Br)cc3Br)[O]=CN(C)C
• Title of publication: [(<i>E</i>)-2-(3,5-Dibromo-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: m601 - m602
• a: 11.4316 ± 0.0019 Å
• b: 11.84 ± 0.002 Å
• c: 15.984 ± 0.002 Å
• α: 88.998 ± 0.003°
• β: 83.562 ± 0.002°
• γ: 73.21 ± 0.002°
• Cell volume: 2057.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes