Information card for entry 2240082

Structure parameters

• Chemical name: Bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II) terephthalate
• Formula: C16 H26 Cu N2 O8
• Calculated formula: C16 H26 Cu N2 O8
• SMILES: C(=O)(c1ccc(C(=O)[O-])cc1)[O-].C1[OH][Cu]234([NH](C1)CC[OH]3)[NH](CC[OH]2)CC[OH]4
• Title of publication: Crystal structure of bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II) terephthalate
• Authors of publication: Li, Ya-Ping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guan-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: m372 - m373
• a: 8.6013 ± 0.0009 Å
• b: 9.0398 ± 0.0009 Å
• c: 11.5732 ± 0.0012 Å
• α: 90°
• β: 91.695 ± 0.002°
• γ: 90°
• Cell volume: 899.47 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes