Information card for entry 2222069

Structure parameters

• Chemical name: Bis(acetato-κ^2^O,O')bis(3,5-dimethyl-1<i>H</i>-pyrazole- κ<i>N</i>^2^)copper(II)
• Formula: C14 H22 Cu N4 O4
• Calculated formula: C14 H22 Cu N4 O4
• SMILES: [Cu]12([n]3[nH]c(cc3C)C)([n]3[nH]c(cc3C)C)(OC(=[O]1)C)OC(=[O]2)C
• Title of publication: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)
• Authors of publication: Davydenko, Yuliya M.; Fritsky, Igor O.; Pavlenko, Vadim O.; Meyer, Franc; Dechert, Sebastian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m691 - m692
• a: 9.2861 ± 0.0011 Å
• b: 10.1684 ± 0.0012 Å
• c: 10.3139 ± 0.0013 Å
• α: 110.755 ± 0.009°
• β: 100.901 ± 0.01°
• γ: 99.383 ± 0.009°
• Cell volume: 865.7 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes