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双核钴乙炔基苯配合物中两种桥联物种的晶体学重合。

Crystallographic coincidence of two bridging species in a dinuclear Co ethynyl-benzene complex.

作者信息

Hoffert Wesley A, Shores Matthew P

机构信息

Department of Chemistry, Colorado State University, Fort Collins, CO 80523-1872, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m853-4. doi: 10.1107/S1600536811019969. Epub 2011 Jun 4.

Abstract

In the title compound, trans,trans-[μ-(m-phenyl-ene)bis-(ethyne-1,2-di-yl)]bis-[chlorido(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)cobalt(III)]-trans,trans-[μ-(5-bromo-m-phenyl-ene)bis-(ethyne-1,2-di-yl)]bis-[chlorido(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)cobalt(III)]-tetra-phenyl-borate-acetone (0.88/0.12/2/4), Co(2)(C(12)H(4))Cl(2)(C(10)H(24)N(4))(2)Co(2)(C(10)H(3)Br)Cl(2)(C(10)H(24)N(4))(2)(C(24)H(20)B)(2)·4C(3)H(6)O, with the exception of the acetyl-ene and bromine groups, all atomic postitions are the same in the two compounds and are modeled at full occupancy. The Co(III) ions are six-coordinate with acetyl-ide and chloride ligands bound to the axial sites and the N atoms from the cyclam rings coordinated at the equatorial positions. N-H⋯O and N-H⋯Cl hydrogen-bonding interactions help to consolidate the crystal packing.

摘要

在标题化合物反式,反式-[μ-(间亚苯基)双-(乙炔-1,2-二亚基)]双-[氯代(1,4,8,11-四氮杂环十四烷)钴(III)]-反式,反式-[μ-(5-溴间亚苯基)双-(乙炔-1,2-二亚基)]双-[氯代(1,4,8,11-四氮杂环十四烷)钴(III)]-四苯基硼酸酯-丙酮(0.88/0.12/2/4),Co₂(C₁₂H₄)Cl₂(C₁₀H₂₄N₄)₂Co₂(C₁₀H₃Br)Cl₂(C₁₀H₂₄N₄)₂(C₂₄H₂₀B)₂·4C₃H₆O中,除了乙炔基和溴原子外,两种化合物中所有原子位置相同且建模为完全占据。Co(III)离子为六配位,乙炔化物和氯配体与轴向位点结合,来自环胺环的N原子在赤道位置配位。N-H⋯O和N-H⋯Cl氢键相互作用有助于巩固晶体堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06fd/3151980/874e327ed8e0/e-67-0m853-fig1.jpg

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