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溴化(1,4,7,10,13-五氮杂环十六烷)钴(III)二水合物

Bromido(1,4,7,10,13-penta-aza-cyclo-hexa-deca-ne)cobalt(III) dibromide dihydrate.

作者信息

Kurisaki Tsutomu, Hamano Makoto, Wakita Hisanobu

机构信息

Department of Chemistry, Faculty of Science, Fukuoka University, Nanakuma, Jonan-ku, Fukuoka 814-0180, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):m179-80. doi: 10.1107/S1600536813004947. Print 2013 Apr 1.

Abstract

The title salt, [CoBr(C11H27N5)]Br2·2H2O, contains a complex cation with mirror symmetry and two Br(-) counter-anions that are likewise located on the mirror plane. The central Co(III) atom of the complex cation has one Br(-) ion in an axial position, one N atom of the penta-dentate macrocyclic ligand in the other axial position and four N atoms of the ligand in equatorial positions, defining a distorted octa-hedral coordination geometry. The macrocyclic ligand is coordinated to the Co(III) atom within a 5, 6, 5 arrangement of chelate rings in the equatorial plane of the four N atoms. Due to symmetry, the configuration of the chiral N atoms is 1RS, 4SR, 10RS, 13SR. In the crystal, N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds between the complex cation, anions and lattice water mol-ecules generate a three-dimensional network.

摘要

标题盐[CoBr(C₁₁H₂₇N₅)]Br₂·2H₂O包含一个具有镜像对称性的络合阳离子和同样位于镜面上的两个Br⁻抗衡阴离子。络合阳离子的中心Co(III)原子在轴向位置有一个Br⁻离子,在另一个轴向位置有五齿大环配体的一个N原子,在赤道位置有配体的四个N原子,确定了一个扭曲的八面体配位几何构型。大环配体在四个N原子赤道平面内以5, 6, 5螯合环排列与Co(III)原子配位。由于对称性,手性N原子的构型为1RS、4SR、10RS、13SR。在晶体中,络合阳离子、阴离子和晶格水分子之间的N-H⋯Br、O-H⋯Br和N-H⋯O氢键形成了一个三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d33/3629467/b9a0482632d2/e-69-0m179-fig1.jpg

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