Information card for entry 2237836

Structure parameters

• Chemical name: Bis[2-(hydroxyimino)cyclohexan-1-one oximato-κ^2^<i>N</i>,<i>N</i>']copper(II)
• Formula: C12 H18 Cu N4 O4
• Calculated formula: C12 H18 Cu N4 O4
• SMILES: [Cu]12(N(=O)=C3C(=[N]2O)CCCC3)[N](O)=C2C(=N1=O)CCCC2
• Title of publication: Bis[2-(hydroxyimino)cyclohexan-1-one oximato-κ^2^<i>N</i>,<i>N</i>']copper(II)
• Authors of publication: Melnic, Elena; Coropceanu, Eduard B.; Croitor, Lilia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m240
• a: 20.8009 ± 0.0012 Å
• b: 10.1124 ± 0.0007 Å
• c: 6.6121 ± 0.0005 Å
• α: 90°
• β: 100.787 ± 0.006°
• γ: 90°
• Cell volume: 1366.26 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1089
• 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