Information card for entry 2212390

Structure parameters

• Chemical name: (3,5-Dimethyl-1H-pyrazole-κN^2^)(4-oxidopent-3-en-2-one 2-hydroxybenzoylhydrazonatoκ^2^N,O)copper(II)
• Formula: C17 H20 Cu N4 O3
• Calculated formula: C17 H20 Cu N4 O3
• SMILES: [Cu]12(OC(=CC(=[N]2N=C(O1)c1c(O)cccc1)C)C)[n]1[nH]c(cc1C)C
• Title of publication: (3,5-Dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(4-oxidopent-3-en-2-one 2-hydroxybenzoylhydrazonato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Authors of publication: Du, Kang-Kai; Liu, Shi-Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m443 - m444
• a: 8.0713 ± 0.0007 Å
• b: 10.666 ± 0.0011 Å
• c: 10.9429 ± 0.0008 Å
• α: 110.393 ± 0.004°
• β: 96.174 ± 0.003°
• γ: 96.299 ± 0.004°
• Cell volume: 866.87 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes