Information card for entry 2005655

Structure parameters

• Formula: C14 H17 Cu N3 O4
• Calculated formula: C14 H17 Cu N3 O4
• Title of publication: Aqua(3,5-dimethylpyrazole)(<i>N</i>-salicylideneglycinato)copper(II)
• Authors of publication: Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Svajlenová, O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2763 - 2766
• a: 18.308 ± 0.002 Å
• b: 7.262 ± 0.001 Å
• c: 22.805 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3032 ± 0.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1161
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No