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四-双(μ-己酸根-κ(2) O:O')双[(4-氰基吡啶-κN (1))铜(II)]的晶体结构

Crystal structure of tetra-kis-(μ-caproato-κ(2) O:O')bis-[(4-cyano-pyridine-κN (1))copper(II)].

作者信息

Baruah Sukanya, Islam Zinnatara, Karmakar Sanjib, Das Birinchi Kumar

机构信息

Department of Chemistry, Gauhati University, Guwahati 781 014, India.

Department of Instrumentation & USIC, Gauhati University, Guwahati 781 014, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Oct 14;71(Pt 11):m195-6. doi: 10.1107/S2056989015019052. eCollection 2015 Nov 1.

Abstract

The title dinuclear complex, [Cu2(C6H11O2)4(C6H4N2)2], has a paddle-wheel structure. The two crystallographically independent Cu(II) atoms are each in a distorted square-pyramidal environment, in which four O atoms from the four bridging caproate ligands form the basal plane and the pyridine N atom of the 4-cyano-pyridine ligand occupies the apical position. The Cu⋯Cu distance is 2.6055 (9) Å. One of the alkyl chains of the caproate ligands is disordered over two sets of sites, with occupancies of 0.725 (5) and 0.275 (5). In the crystal, two pairs of C-H⋯N hydrogen bonds connect the mol-ecules into chains along [11-1] and C-H⋯O hydrogen bonds link the chains into a three-dimensional network.

摘要

标题双核配合物[Cu₂(C₆H₁₁O₂)₄(C₆H₄N₂)₂]具有桨轮结构。两个晶体学独立的Cu(II)原子各自处于扭曲的四方锥环境中,其中来自四个桥连己酸酯配体的四个O原子形成基面,4-氰基吡啶配体的吡啶N原子占据顶端位置。Cu⋯Cu距离为2.6055 (9) Å。己酸酯配体的一条烷基链在两组位置上无序,占有率分别为0.725 (5)和0.275 (5)。在晶体中,两对C-H⋯N氢键将分子沿[11-1]连接成链,C-H⋯O氢键将链连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2715/4645092/2f3c97ea4a29/e-71-0m195-fig1.jpg

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