Information card for entry 2224676

Structure parameters

• Chemical name: Aqua[2-(5-ethyl-2-pyridyl-κ<i>N</i>)-4-isopropyl-4-methyl-5-oxo-4,5- dihydroxyimidazol-1-ido-κ<i>N</i>^1^](5-methyl-1<i>H</i>-pyrazole-3- carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II) 1.33-hydrate
• Formula: C19 H27.67 Cu N5 O5.33
• Calculated formula: C19 H27.67 Cu N5 O5.33333
• Title of publication: Aqua[2-(5-ethyl-2-pyridyl-κ<i>N</i>)-4-isopropyl-4-methyl-5-oxo-4,5-dihydroxyimidazol-1-ido-κ<i>N</i>^1^](5-methyl-1<i>H</i>-pyrazole-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II) 1.33-hydrate
• Authors of publication: Zhuang, Ji-Chang; Hu, Fei-Long; Huang, Zhong-Jing; Zhuang, Yue; Zhang, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m79
• a: 26.7859 ± 0.0003 Å
• b: 26.7859 ± 0.0003 Å
• c: 16.6531 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10347.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes