Information card for entry 2007017

Structure parameters

• Chemical name: Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)
• Formula: C16 H18 Cu N2 O4
• Calculated formula: C16 H18 Cu N2 O4
• SMILES: [Cu]12([OH2])(Oc3ccccc3C=[N]1CC(=O)O2)[n]1c(c(ccc1)C)C
• Title of publication: Aqua(2,3-dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<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: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 187 - 189
• a: 6.9449 ± 0.0007 Å
• b: 10.3618 ± 0.0013 Å
• c: 11.9715 ± 0.0014 Å
• α: 75.392 ± 0.011°
• β: 88.293 ± 0.01°
• γ: 70.621 ± 0.009°
• Cell volume: 785.04 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No