Information card for entry 2006505

Structure parameters

• Chemical name: Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)
• Formula: C15 H15 Cu N3 O3
• Calculated formula: C15 H15 Cu N3 O3
• SMILES: c12ccccc1C=[N]1C(C(=O)O[Cu]1(O2)[n]1ccncc1)(C)C
• Title of publication: Monomeric (Pyrazine-<i>N</i>)(<i>N</i>-salicylidene-α-amino-2-methylpropanoato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1186 - 1188
• a: 12.724 ± 0.0004 Å
• b: 6.703 ± 0.0005 Å
• c: 16.8484 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.98 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.0779
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No