Information card for entry 2221222

Structure parameters

• Chemical name: Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(pyridine-2,6- dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)
• Formula: C17 H19 Cu N5 O4
• Calculated formula: C17 H19 Cu N5 O4
• SMILES: [Cu]12(OC(=O)c3[n]2c(ccc3)C(=O)O1)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C
• Title of publication: Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)
• Authors of publication: Lin, Yuan-Yuan; Yu, Yan-Ping; Liu, Bing-Xin; Zhang, Liang-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m279
• a: 8.4572 ± 0.0012 Å
• b: 8.5083 ± 0.0012 Å
• c: 13.942 ± 0.002 Å
• α: 72.986 ± 0.002°
• β: 85.5 ± 0.002°
• γ: 66.76 ± 0.002°
• Cell volume: 880.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes