Information card for entry 2007959

Structure parameters

• Chemical name: Aqua(2-methylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)
• Formula: C15 H16 Cu N2 O4
• Calculated formula: C15 H16 Cu N2 O4
• SMILES: [Cu]12([OH2])([N](=Cc3c(O1)cccc3)CC(=O)O2)[n]1c(cccc1)C
• Title of publication: Aqua(2-methylpyridine-<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: 12
• Pages of publication: 1754 - 1755
• a: 13.6203 ± 0.0008 Å
• b: 10.8747 ± 0.0004 Å
• c: 9.9647 ± 0.0003 Å
• α: 90°
• β: 93.774 ± 0.004°
• γ: 90°
• Cell volume: 1472.74 ± 0.11 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 significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No