首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Polydodeca­aqua­hexa­kis­(μ2-pyridine-25-dicarboxyl­ato)tricopper(II)diytterbium(III) dihydrate
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Polydodeca­aqua­hexa­kis­(μ2-pyridine-25-dicarboxyl­ato)tricopper(II)diytterbium(III) dihydrate

机译:聚十二烷基水合六(μ2-吡啶-25-二羧基­合)三铜(II)二y(III)二水合物

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摘要

The asymmetric unit of the title heterometallic coordination polymer, {[Cu3Yb2(C7H3NO4)6(H2O)12]·2H2O}n, contains one YbIII and two CuII atoms. The CuII atom that is located on an inversion center is N,O-chelated by two pyridine-2,5-dicarboxyl­ate (pdc) anions in a square-planar geometry; the Cu atom located on a general position is N,O-chelated by two pdc anions in the basal plane and is further coordinated by a water O atom at the apical position in a distorted square-pyramidal geometry. The Yb(III) atom is eight coordinated in a distorted square-anti­prismatic geometry formed by three carboxyl­ate O atoms from three pdc anions and five water mol­ecules. The pdc anions bridge adjacent Yb(III) and Cu(III) atoms, forming a three-dimensional polymeric structure. The crystal structure contains extensive O—H⋯O hydrogen bonds. π–π stacking is present in the crystal structure, the shortest centroid–centroid distance between parallel pyridine rings of adjacent mol­ecules being 3.646 (3) Å.
机译:标题杂金属配位聚合物{[Cu3Yb2(C7H3NO4)6(H2O)12]·2H2O} n的不对称单元包含一个Yb III 和两个Cu II 原子。位于反转中心的Cu II 原子被两个2,5-吡啶二甲酸吡啶(pdc)阴离子呈N,O螯合,呈方形平面状。位于一般位置的Cu原子在基面上被两个pdc阴离子N,O螯合,并且在顶点处以扭曲的方锥几何形状与水O原子进一步配位。 Yb(III)原子在由三个pdc阴离子和五个水分子中的三个羧基O原子形成的扭曲的方形反棱角几何结构中是八个配位的。 pdc阴离子桥接相邻的Yb(III)和Cu(III)原子,形成三维聚合结构。晶体结构包含广泛的OHH O氢键。 π–π堆积存在于晶体结构中,相邻分子的平行吡啶环之间的最短质心-质心距离为3.6463(3)Å。

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