Zhang Feng, Zhang Bing-Guang
Key Laboratory of Catalysis and Materials Sciences of the State Ethnic Affairs Commission & Ministry of Education, College of Chemistry and Material Science, South-Central University for Nationalities, Wuhan 430074, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2017 May 12;73(Pt 6):835-837. doi: 10.1107/S205698901700665X. eCollection 2017 Jun 1.
In the title complex, [CaCu(CHO)(HO)] , the Ca and Cu cations are bridged by the benzene-1,3,5-tri-carboxyl-ate anions (BTC) to form the coordination polymer, in which each BTC anion bridges two Cu and five Ca cations with a μ coordination mode. The Cu cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC anions, while the Ca cation is in a distorted octa-hedral geometry defined by five O atoms from bridging BTC anions and one water mol-ecule. O-H⋯O hydrogen bonds between coordinating water mol-ecules and carboxyl groups further stabilize the structure; π-π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å.
在标题配合物[CaCu(CHO)(HO)]中，Ca和Cu阳离子由苯-1,3,5-三羧酸根阴离子（BTC）桥连形成配位聚合物，其中每个BTC阴离子以μ配位模式桥连两个Cu阳离子和五个Ca阳离子。位于对称中心的Cu阳离子处于由来自四个桥连BTC阴离子的四个O原子定义的近似平面正方形几何构型中，而Ca阳离子处于由来自桥连BTC阴离子的五个O原子和一个水分子定义的扭曲八面体几何构型中。配位水分子与羧基之间的O-H⋯O氢键进一步稳定了该结构；在平行苯环之间也观察到π-π堆积，质心到质心的距离为3.357 (2) Å。
