Information card for entry 2007636

Structure parameters

• Chemical name: Aqua(2-ethylpyridine-N)(N-salicylideneglycinato-O,N,O`)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(cccc1)CC
• Title of publication: Aqua(2-ethylpyridine-<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: 9
• Pages of publication: 1236 - 1238
• a: 14.7592 ± 0.0015 Å
• b: 10.7763 ± 0.0011 Å
• c: 10.0983 ± 0.0007 Å
• α: 90°
• β: 92.473 ± 0.007°
• γ: 90°
• Cell volume: 1604.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for significantly intense reflections: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No