Information card for entry 2223685

Structure parameters

• Chemical name: [<i>N</i>-(2-Hydroxyethyl)ethylenediamine]oxalatocopper(II)
• Formula: C6 H12 Cu N2 O5
• Calculated formula: C6 H12 Cu N2 O5
• SMILES: C1(=O)C(=O)O[Cu]23([NH](CC[OH]3)CC[NH2]2)O1
• Title of publication: [<i>N</i>-(2-Hydroxyethyl)ethylenediamine]oxalatocopper(II)
• Authors of publication: Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Yeşilel, Okan Z.; Yıldırım, M. Hakkı
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1337 - m1338
• a: 7.9766 ± 0.0005 Å
• b: 8.7263 ± 0.0004 Å
• c: 13.0191 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 906.21 ± 0.09 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: 0.0308
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes