Information card for entry 2240066

Structure parameters

• Chemical name: Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc terephthalate
• Formula: C20 H34 N2 O10 Zn
• Calculated formula: C20 H34 N2 O10 Zn
• SMILES: C1[OH][Zn]234([N](C1)(CC[OH]3)CCO)[N](CC[OH]2)(CC[OH]4)CCO.C(=O)(c1ccc(C(=O)[O-])cc1)[O-]
• Title of publication: Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc terephthalate
• Authors of publication: Li, Ya-Ping; Zang, Hu; Sun, Dajun; Ming, Julia; Su, Guan-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: m361 - m362
• a: 7.963 ± 0.005 Å
• b: 8.823 ± 0.005 Å
• c: 9.198 ± 0.005 Å
• α: 89.315 ± 0.005°
• β: 72.421 ± 0.005°
• γ: 66.208 ± 0.005°
• Cell volume: 559.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes