Information card for entry 2020403

Structure parameters

• Chemical name: Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(triethanolamine-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)]
• Formula: C30 H38 Co2 N2 O18
• Calculated formula: C30 H38 Co2 N2 O18
• SMILES: C1(=O)c2cc(cc(c2)C(=O)O)C(=O)O[Co]234([N](CC[OH]2)(CC[OH]3)CC[OH]4)OC(=O)c2cc(cc(c2)C(=O)O)C(=O)O[Co]234([N](CC[OH]2)(CC[OH]3)CC[OH]4)O1
• Title of publication: Bis(triethanolamine)bis(μ~2~-trimesato)dicobalt(II): a Co^II^ dimer with an unreported two-dimensional supramolecular topology formed from triethanolamine and trimesic acid ligands
• Authors of publication: Xie, Min; Xu, Guo-Hai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 143 - 148
• a: 13.1337 ± 0.0005 Å
• b: 9.8973 ± 0.0004 Å
• c: 14.5191 ± 0.0006 Å
• α: 90°
• β: 116.449 ± 0.005°
• γ: 90°
• Cell volume: 1689.77 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No