Mitrofanov Alexander Yu, Rousselin Yoann
Department of Chemistry, Moscow State University, Leninskie Gory, GSP-3, Moscow 119991, Russian Federation.
ICMUB, UMR CNRS 6302, Université Bourgogne Franche-Comté, 9 avenue Alain Savary, 21078 Dijon cedex, France.
Acta Crystallogr E Crystallogr Commun. 2018 Nov 9;74(Pt 12):1751-1754. doi: 10.1107/S2056989018015724. eCollection 2018 Dec 1.
In the title compound, [Cu(OH){CHN(POCH)}(HO)]·7HO, two Cu cations are bridged by two hydroxide groups, forming a centrosymmetric binuclear complex. Each Cucation is further coordinated by the N atoms of a bidentate ethyl (1,10-phenanthrolin-3-yl)phospho-nate anion and a water mol-ecule in a square-pyramidal geometry. In the crystal, a network of O-H⋯O hydrogen bonds involving the P(O)(O)(OEt) groups, bridging hydroxyl groups, coordinated and uncoordinated water mol-ecules generates a three-dimensional supra-molecular structure. The ethyl group exhibits disorder and was modelled over three sites with occupancies of 0.455, 0.384 and 0.161.
在标题化合物[Cu(OH){CHN(POCH)}(HO)]·7HO中,两个铜阳离子由两个氢氧根离子桥联,形成一个中心对称的双核配合物。每个铜阳离子进一步与一个双齿乙基(1,10-菲啰啉-3-基)膦酸酯阴离子的氮原子和一个水分子以四方锥几何构型配位。在晶体中,涉及P(O)(O)(OEt)基团、桥联羟基、配位和未配位水分子的O-H⋯O氢键网络生成了三维超分子结构。乙基表现出无序性,在三个位置上进行建模,占有率分别为0.455、0.384和0.161。