Information card for entry 2224167

Structure parameters

• Chemical name: Aqua{<i>N</i>-[1-(2-oxidophenyl)ethylidene]-L-serinato}copper(II) monohydrate
• Formula: C11 H15 Cu N O6
• Calculated formula: C11 H15 Cu N O6
• SMILES: [Cu]12([N](=C(c3c(O1)cccc3)C)[C@H](C(=O)O2)CO)[OH2].O
• Title of publication: Aqua{<i>N</i>-[1-(2-oxidophenyl)ethylidene]-<small>L</small>-serinato}copper(II) monohydrate
• Authors of publication: Zhao, Gan-Qing; Tian, Da-Ming; Han, Yong-Jun; Xue, Ling-Wei; Peng, Qin-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1505
• a: 5.6701 ± 0.0009 Å
• b: 13.788 ± 0.002 Å
• c: 15.536 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1214.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes