Lush Shie Fu, Shen Fwu Ming
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1195-6. doi: 10.1107/S1600536811030807. Epub 2011 Aug 6.
There are two independent La(III) cations in the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(3)(H(2)O)(4)]·2H(2)O}(n). One is nine-coordinated in an LaN(2)O(7) tricapped trigonal-prismatic geometry formed by three pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules, while the other is ten-coordinated in an LaNO(9) bicapped square-anti-prismatic geometry formed by four pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules. The two La(III) cations are separated by a non-bonding distance of 5.026 (3) Å. The pyridine-2,6-dicarboxyl-ate anions bridge the La(III) cations, forming a three-dimensional polymeric complex. The crystal structure contains extensive classical O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by π-π stacking between pyridine rings, the shortest centroid-centroid distance between parallel pyridine rings being 3.700 (5) Å.
在聚合标题化合物{[La₂(C₇H₃NO₄)₃(H₂O)₄]·2H₂O}ₙ中存在两个独立的La(III)阳离子。其中一个通过三个吡啶 - 2,6 - 二羧酸根阴离子和两个水分子形成LaN₂O₇三帽三角棱柱几何构型,呈九配位;而另一个通过四个吡啶 - 2,6 - 二羧酸根阴离子和两个水分子形成LaNO₉双帽四方反棱柱几何构型,呈十配位。两个La(III)阳离子之间的非键距离为5.026(3) Å。吡啶 - 2,6 - 二羧酸根阴离子桥连La(III)阳离子,形成三维聚合配合物。晶体结构包含广泛的经典O - H⋯O氢键和弱的分子间C - H⋯O氢键。晶体结构通过吡啶环之间的π - π堆积进一步巩固,平行吡啶环之间最短的质心 - 质心距离为3.700(5) Å。