Information card for entry 2001216

Structure parameters

• Formula: C16 H17 Cu N5 O3
• Calculated formula: C16 H17 Cu N5 O3
• Title of publication: Structure of (pyrazole-κ<i>N</i>^2^)[(<i>S</i>)-<i>N</i>-salicylidene-κ<i>O</i>-alaninato(2‒)-κ<i>N</i>,κ<i>O</i>]copper(II)‒pyrazole (1/1)
• Authors of publication: Kettmann, V.; Frešová, E.; Bláhová, M.; Krätsmár-Šmogrovič, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1932 - 1934
• a: 5.1 ± 0.002 Å
• b: 10.051 ± 0.004 Å
• c: 16.453 ± 0.007 Å
• α: 90°
• β: 94.82 ± 0.05°
• γ: 90°
• Cell volume: 840.4 ± 0.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.36
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No