Information card for entry 2202780

Structure parameters

• Chemical name: [((2-(2-hydroxyphenyl)ethylidene)amino)acetato]aquacopper(II) hydrate
• Formula: C10 H13 Cu N O5
• Calculated formula: C10 H13 Cu N O5
• SMILES: c12O[Cu]3([N](=C(c2cccc1)C)CC(=O)O3)[OH2].O
• Title of publication: Aqua[{[2-(2-hydroxyphenyl)ethylidene]amino}acetato]copper(II) monohydrate
• Authors of publication: Usman, Anwar; Fun, Hoong-Kun; Basu Baul, Tushar S.; Paul, Pradip C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m438 - m440
• a: 20.225 ± 0.0003 Å
• b: 10.6741 ± 0.0003 Å
• c: 14.2089 ± 0.0003 Å
• α: 90°
• β: 134.294 ± 0.001°
• γ: 90°
• Cell volume: 2195.59 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes