Information card for entry 2240086

Structure parameters

• Chemical name: Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate
• Formula: C20 H34 Cd N2 O10
• Calculated formula: C20 H34 Cd N2 O10
• SMILES: C(=O)(c1ccc(cc1)C(=O)[O-])[O-].C1C[N]23CC[OH][Cd]4563([N](CC[OH]4)(CC[OH]5)CC[OH]6)([OH]1)[OH]CC2
• Title of publication: Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate
• Authors of publication: Li, Ya-Ping; Han, Li-Ying; 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: m371
• a: 13.2789 ± 0.0012 Å
• b: 14.6329 ± 0.0014 Å
• c: 24.278 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4717.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes