Information card for entry 2230045

Structure parameters

• Chemical name: [(<i>E</i>)-<i>N</i>'-(5-Chloro-2-oxidobenzylidene-κ<i>O</i>)-3,4,5- trimethoxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](pyridine- κ<i>N</i>)copper(II)
• Formula: C22 H20 Cl Cu N3 O5
• Calculated formula: C22 H20 Cl Cu N3 O5
• SMILES: [Cu]12(OC(=N[N]2=Cc2c(O1)ccc(Cl)c2)c1cc(OC)c(OC)c(OC)c1)[n]1ccccc1
• Title of publication: [(<i>E</i>)-<i>N</i>'-(5-Chloro-2-oxidobenzylidene-κ<i>O</i>)-3,4,5-trimethoxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](pyridine-κ<i>N</i>)copper(II)
• Authors of publication: Wang, Yu-Min; Lin, Xiao-Hui; Chen, Zhen; Jiang, Hong-Li; Zhang, Chang-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m526
• a: 14.274 ± 0.004 Å
• b: 7.5763 ± 0.0018 Å
• c: 20.753 ± 0.005 Å
• α: 90°
• β: 99.108 ± 0.004°
• γ: 90°
• Cell volume: 2216 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes