Information card for entry 2232616

Structure parameters

• Chemical name: Chlorido[1-(pyridin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(2-pyridyl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>']copper(II) trihydrate
• Formula: C14 H21 Cl Cu N4 O5
• Calculated formula: C14 H21 Cl Cu N4 O5
• SMILES: [Cu]12(Cl)([N](O)=C(C)c3[n]1cccc3)N(=O)=C(C)c1[n]2cccc1.O.O.O
• Title of publication: Chlorido[1-(pyridin-2-yl)ethanone oximato-κ^2^<i>N</i>,<i>N</i>'][1-(2-pyridyl)ethanone oxime-κ^2^<i>N</i>,<i>N</i>']copper(II) trihydrate
• Authors of publication: Qiu, Xiumin; Li, Leilei; Li, Dacheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1810 - m1811
• a: 8.398 ± 0.0009 Å
• b: 10.2559 ± 0.0011 Å
• c: 12.1121 ± 0.0013 Å
• α: 114.199 ± 0.002°
• β: 93.462 ± 0.001°
• γ: 103.972 ± 0.001°
• Cell volume: 908.29 ± 0.17 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: 0.0522
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes