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聚[四水合-μ(3)-苯-1,2-二羧酸根-μ(3)-溴化-五-μ(2)-溴化-八-μ(3)-异烟酸根-七铜(I)三镧(III)]

Poly[tetra-aqua-μ(3)-benzene-1,2-di-carboxyl-ato-μ(3)-bromido-penta-μ(2)-bromido-octa-μ(3)-isonicotinato-hepta-copper(I)trilanthanum(III)].

作者信息

Wang Guo-Ming, Li Zeng-Xin, Xue Shu-Yun, Liu Hui-Luan

机构信息

Department of Chemistry, Teachers' College of Qingdao University, Shandong 266071, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):m550-1. doi: 10.1107/S1600536809014081.

Abstract

A new lanthanum(III)-copper(I) heterometallic coordination polymer, Cu(7)La(3)Br(6)(C(6)H(4)NO(2))(8)(C(8)H(4)O(4))(H(2)O)(4), has been prepared by a hydro-thermal method. Of the three La atoms in the asymmetric unit, two are eight-coordinate with bicapped trigonal-prismatic configurations; the third is nine-coordinated and has a tricapped trigonal-prismatic coordination geometry. Of the seven Cu atoms, two are two-coordinate with CuBrN and CuN(2) ligand sets, three have trigonal configurations, viz. CuBrN(2), CuBr(2)N and CuBr(3), while the remaining two adopt distorted tetra-hedral CuBr(3)N geometries. In the crystal structure, adjacent La centers are linked by isonicotinate (IN(-)) and benzene-1,2-dicarboxyl-ate ligands to form a two-dimensional La-carboxyl-ate layer in the ab plane. These layers are further inter-connected with each other by bridging [Cu(IN)(2)] motifs, leading to an unusual three-dimensional heterometallic Cu-halide-lanthanide-organic framework, with the inorganic Cu(6)Br(6) chains located in the resulting channels. Two Cu atoms are disordered over two positions, both with site occupancy factors of 0.80 and 0.20. O-H⋯O hydrogen bonding between water molecules and carboxylate O atoms helps to consolidate the crystal packing.

摘要

通过水热法制备了一种新型镧(III)-铜(I)异金属配位聚合物Cu(7)La(3)Br(6)(C(6)H(4)NO(2))(8)(C(8)H(4)O(4))(H(2)O)(4)。在不对称单元中的三个镧原子中,两个为八配位,具有双帽三角棱柱构型;第三个为九配位,具有三帽三角棱柱配位几何结构。在七个铜原子中,两个为二配位,配体为CuBrN和CuN(2),三个具有三角构型,即CuBrN(2)、CuBr(2)N和CuBr(3),而其余两个采用扭曲的四面体CuBr(3)N几何结构。在晶体结构中,相邻的镧中心通过异烟酸根(IN(-))和苯-1,2-二羧酸根配体相连,在ab平面上形成二维镧羧酸根层。这些层通过桥连的[Cu(IN)(2)]基序进一步相互连接,形成一种不寻常的三维异金属铜-卤化物-镧系-有机骨架,无机Cu(6)Br(6)链位于所得通道中。两个铜原子在两个位置上无序,位点占有率因子均为0.80和0.20。水分子与羧酸根O原子之间的O-H⋯O氢键有助于巩固晶体堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a4b0/2977598/432f0284e37b/e-65-0m550-fig1.jpg

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