Information card for entry 2015111

Structure parameters

• Chemical name: Bis[N-(2-hydroxyethyl)-β-alaninato]copper(II)
• Formula: C10 H20 Cu N2 O6
• Calculated formula: C10 H20 Cu N2 O6
• SMILES: C1C[NH]2CCC(=O)O[Cu]342([NH](CC[OH]3)CCC(=O)O4)[OH]1
• Title of publication: Bis[<i>N</i>-(2-hydroxyethyl)-β-alaninato]copper(II)
• Authors of publication: Pestov, Alexander V.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Podberezskaya, Nina V.; Yatluk, Yury G.; Skorik, Yury A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m510 - m512
• a: 9.5257 ± 0.0006 Å
• b: 5.6597 ± 0.0003 Å
• c: 12.4288 ± 0.0007 Å
• α: 90°
• β: 96.779 ± 0.003°
• γ: 90°
• Cell volume: 665.38 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes