Mi Jun-Long, Huang Jing, Chen Hong-Ji
Department of Materials Science and Engineering, Jinan University, Guangzhou 510632, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1146-7. doi: 10.1107/S1600536812032916. Epub 2012 Aug 4.
In the title compound, {[Ho(2)(C(6)H(4)NO(3))(2)(C(2)O(4))(2)(H(2)O)(2)]·2H(2)O}(n), the Ho(III) atom is coordinated by three O atoms from three 5-hy-droxy-nicotinate ligands, four O atoms from two oxalate ligands, each lying on an inversion center, and one water mol-ecule in a distorted square-anti-prismatic geometry. The 5-hy-droxy-nicotinate ligand is protonated at the N atom and deprotonated at the hy-droxy group. The Ho(III) atoms are bridged by the carboxyl-ate and phenolate O atoms, forming a three-dimensional framework. N-H⋯O and O-H⋯O hydrogen bonds, as well as π-π inter-actions between the pyridine rings [centroid-centroid distance = 3.794 (2) Å], are observed.
在标题化合物{[Ho₂(C₆H₄NO₃)₂(C₂O₄)₂(H₂O)₂]·2H₂O}ₙ中,Ho(III)原子由来自三个5-羟基烟酸酯配体的三个O原子、来自两个草酸酯配体的四个O原子(每个位于一个反演中心上)以及一个水分子配位,形成扭曲的四方反棱柱几何构型。5-羟基烟酸酯配体在N原子处质子化,在羟基处去质子化。Ho(III)原子通过羧酸根和酚氧原子桥连,形成三维骨架。观察到N-H⋯O和O-H⋯O氢键,以及吡啶环之间的π-π相互作用[质心-质心距离 = 3.794 (2) Å]。