Information card for entry 2211561

Structure parameters

• Chemical name: Aqua(L-phenylalaninato)(L-prolinato)copper(II) monohydrate
• Formula: C14 H22 Cu N2 O6
• Calculated formula: C14 H22 Cu N2 O6
• SMILES: [Cu]12(OC(=O)[C@@H]3CCC[NH]13)(OC(=O)[C@@H]([NH2]2)Cc1ccccc1)[OH2].O
• Title of publication: Aqua(<small>L</small>-phenylalaninato)(<small>L</small>-prolinato)copper(II) monohydrate
• Authors of publication: González, Ricardo; Suescun, Leopoldo; Mombrú, Álvaro W.; Kremer, Eduardo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3459 - m3461
• a: 12.663 ± 0.003 Å
• b: 22.894 ± 0.003 Å
• c: 5.609 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1626.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes