Lu Qingxiang, Wang Daqi, Wang Suna
College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, People's Republic of China.
Acta Crystallogr C. 2010 Nov;66(Pt 11):m351-4. doi: 10.1107/S0108270110042496. Epub 2010 Oct 27.
In the title compound, poly[[triaqua{μ(4)-2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2-ylsulfanyl]acetato}{μ(2)-2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2-ylsulfanyl]acetato}barium(II)] monohydrate], {[Ba(C(9)H(8)N(3)O(6)S(3))(2)(H(2)O)(3)]·H(2)O}(n), each Ba(II) atom is nine-coordinated by six O atoms from carboxylate groups of four different 2-[4,6-bis(carboxymethylsulfanyl)-1,3,5-triazin-2-ylsulfanyl]acetate ligands and three O atoms from water molecules. The triazine ligand is partially deprotonated, as verified by intermolecular hydrogen-bonding parameters, and adopts μ(2)-η(1):η(1) and μ(4)-η(1):η(1):η(2) coordination modes to connect the Ba(II) centres, forming a novel double-layered structure. Topological analysis indicates that the whole structure is a novel (4,6)-connected net, considering the ligands and Ba(II) centres as four- and six-connected nodes, respectively.
在标题化合物聚[[三水合{μ(4)-2-[4,6-双(羧甲基硫基)-1,3,5-三嗪-2-基硫基]乙酸根}{μ(2)-2-[4,6-双(羧甲基硫基)-1,3,5-三嗪-2-基硫基]乙酸根}钡(II)]一水合物]，{[Ba(C₉H₈N₃O₆S₃)₂(H₂O)₃]·H₂O}ₙ中，每个Ba(II)原子由来自四个不同的2-[4,6-双(羧甲基硫基)-1,3,5-三嗪-2-基硫基]乙酸根配体的羧酸根基团的六个O原子和来自水分子的三个O原子九配位。通过分子间氢键参数验证，三嗪配体部分去质子化，并采用μ(2)-η(1):η(1)和μ(4)-η(1):η(1):η(2)配位模式连接Ba(II)中心，形成一种新型双层结构。拓扑分析表明，将配体和Ba(II)中心分别视为四连接和六连接节点时，整个结构是一种新型的(4,6)-连接网络。
