Information card for entry 8102763

Structure parameters

• Chemical name: aqua-di(3,5-dimenthyl pyrazolyl)copper(II) sulfate hydrate
• Formula: C10 H22 Cu N4 O7 S
• Calculated formula: C10 H22 Cu N4 O7 S
• Title of publication: Crystal structure of aquabis(3,5-dimethylpyrazolyl)copper(II) sulfate dihydrate, [Cu(H2O)(C5H8N2)2][SO4] · 2H2O
• Authors of publication: Su-Qing Wang; Fang-Fang Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 683
• a: 4.8645 ± 0.001 Å
• b: 21.101 ± 0.004 Å
• c: 8.0719 ± 0.0016 Å
• α: 90°
• β: 96.05 ± 0.03°
• γ: 90°
• Cell volume: 823.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No