Information card for entry 2218122

Structure parameters

• Chemical name: {2-[(3,5-Dichloro-2-oxidobenzylidene)amino-κ^2^N,O]-3-methylpentanoato- κO}(N,N'-dimethylformamide-κ<i>O</i>)copper(II)
• Formula: C16 H20 Cl2 Cu N2 O4
• Calculated formula: C16 H20 Cl2 Cu N2 O4
• SMILES: [Cu@]12(Oc3c(C=[N]1[C@H](C(=O)O2)[C@H](CC)C)cc(Cl)cc3Cl)[O]=CN(C)C
• Title of publication: {2-[(3,5-Dichloro-2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]-3-methylpentanoato-κ<i>O</i>}(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)copper(II)
• Authors of publication: Xia, Jin Hong; Liu, Zheng; Wang, Yuan; Feng, Xiao Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m660 - m661
• a: 11.671 ± 0.002 Å
• b: 27.465 ± 0.003 Å
• c: 5.889 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1887.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes