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聚[[[二异硫氰酸根合钴(II)]-双-[μ-4-叔丁基-2,6-双-(1,2,4-三唑-1-基甲基)苯酚]]二甲基甲酰胺溶剂合物二水合物]

Poly[[[diisothio-cyanato-cobalt(II)]-bis-[μ-4-tert-butyl-2,6-bis-(1,2,4-triazol-1-ylmeth-yl)phenol]] dimethyl-formamide disolvate dihydrate].

作者信息

Chu Zhao-Lian

机构信息

Institute of Molecular Engineering & Applied Chemistry, School of Chemistry and Chemical Engineering, Anhui University of Technology, Maanshan 243002, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 18;65(Pt 3):m288. doi: 10.1107/S1600536809005121.

DOI:10.1107/S1600536809005121
PMID:21582072
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968591/
Abstract

In the title compound, {[Co(NCS)(2)(C(16)H(20)N(6)O)(2)]·2C(3)H(7)NO·2H(2)O}(n), each Co(II) ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis-(1,2,4-triazol-1-ylmeth-yl)phenol (L) ligands, and by two N atoms from two axial thio-cyanate anions [Co-N = 2.104 (3)-2.144 (3) Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethyl-formamide and solvent water mol-ecules participate in inter-molecular O-H⋯O and O-H⋯S hydrogen bonds, which consolidate the crystal packing.

摘要

在标题化合物{[Co(NCS)₂(C₁₆H₂₀N₆O)₂]·2C₃H₇NO·2H₂O}ₙ中,位于对称中心的每个Co(II)离子由来自四个不同的4-叔丁基-2,6-双-(1,2,4-三唑-1-基甲基)苯酚(L)配体的四个赤道面N原子以及来自两个轴向硫氰酸根阴离子的两个N原子六配位[Co-N = 2.104(3)-2.144(3) Å]。金属中心通过双齿L配体连接成平行于bc平面的二维聚合物层。二甲基甲酰胺和溶剂水分子参与分子间的O-H⋯O和O-H⋯S氢键作用,这巩固了晶体堆积。

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本文引用的文献

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A short history of SHELX.SHELX简史。
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