Zhang Bing-Yu, Nie Jing-Jing, Xu Duan-Jun
Department of Chemistry, Zhejiang University, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):m429-30. doi: 10.1107/S1600536809009489.
In the crystal structure of the title compound, Na(4)Ni(C(8)H(3)O(7)S)(2)(H(2)O)(12), the Ni(II) cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol-ecules in a distorted octa-hedral geometry. Two independent Na(I) atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol-ecules in a distorted octa-hedral geometry. The sulfoisophthalate ligands and coordinated water mol-ecules bridge the Ni(II) and Na(I) cations, forming a three-dimensional polymeric structure. Weak π-π stacking is present between parallel benzene rings [centroid-centroid distance = 3.9349 (10) Å]. Extensive O-H⋯O and C-H⋯O hydrogen bonding helps to stabilize the crystal structure.
在标题化合物[Na₄Ni(C₈H₃O₇S)₂(H₂O)₁₂]ₙ的晶体结构中，Ni(II)阳离子位于一个对称中心，通过磺基间苯二甲酸三阴离子的羧基和水分子以扭曲的八面体几何构型配位。两个独立的Na(I)原子通过磺基间苯二甲酸配体阴离子的羧基和磺酸根基团以及水分子以扭曲的八面体几何构型相连。磺基间苯二甲酸配体和配位水分子连接Ni(II)和Na(I)阳离子，形成三维聚合结构。平行苯环之间存在弱π-π堆积[质心-质心距离 = 3.9349 (10) Å]。广泛的O-H⋯O和C-H⋯O氢键有助于稳定晶体结构。
