Information card for entry 2201616

Structure parameters

• Chemical name: Diaqua(N-salicylidene-L-2-phenylglycinate-κ^3^N,O,O')copper(II)
• Formula: C15 H15 Cu N O5
• Calculated formula: C15 H15 Cu N O5
• SMILES: [N]12=Cc3ccccc3O[Cu]1([OH2])([OH2])OC(=O)[C@@H]2c1ccccc1
• Title of publication: Diaqua(<i>N</i>-salicylidene-<small>L</small>-2-phenylglycinate-κ^3^<i>N,O,O</i>')copper(II)
• Authors of publication: Weng, Jiabao; Hong, Maochun; Cao, Rong; Bi, Wenhua; Albert S. C. Chan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m746 - m747
• a: 5.787 ± 0.0012 Å
• b: 9.4205 ± 0.0019 Å
• c: 13.242 ± 0.003 Å
• α: 90°
• β: 92.81 ± 0.03°
• γ: 90°
• Cell volume: 721 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes