Näther Christian, Boeckmann Jan
Institut für Anorganische Chemie, Universität Kiel, Max-Eyth.-Str. 2, 24118 Kiel, Germany.
Acta Crystallogr E Crystallogr Commun. 2025 Jan 1;81(Pt 1):58-62. doi: 10.1107/S2056989024012003.
Reaction of Co(NCS) with 4-methyl-pyridine in water leads to the formation of single crystals of the title compound, [Co(NCS)(CHN)] . The asymmetric unit consists of two crystallographically independent thio-cyanate anions and two crystallographically independent 4-methyl-pyridine coligands in general positions, as well as of two different Co cations, of which one is located on a twofold rotational axis, whereas the second occupies a center of inversion. The methyl H atoms in both 4-methyl-pyridine ligands are disordered and were refined using a split model. Both Co cations are octa-hedrally coordinated by two N- and two S-bonded thio-cyanate anions and two 4-methyl-pyridine coligands and are linked by pairs of 1,3-bridging anionic ligands into chains. Within these chains the cations show an alternating all- and -- configuration, which leads to the formation of corrugated chains. Powder X-ray diffraction proves that a pure crystalline phase has been obtained and the values of the CN stretching vibrations of the anionic ligands observed in the IR and the Raman spectra are in agreement with the presence of bridging anionic ligands.
Co(NCS) 与 4-甲基吡啶在水中反应生成标题化合物 [Co(NCS)(C₅H₅N)] 的单晶。不对称单元由两个晶体学独立的硫氰酸根阴离子和两个处于一般位置的晶体学独立的 4-甲基吡啶共配体组成,以及两个不同的 Co 阳离子,其中一个位于二重旋转轴上,而另一个占据对称中心。两个 4-甲基吡啶配体中的甲基 H 原子无序,并使用分裂模型进行精修。两个 Co 阳离子均由两个 N 键合和两个 S 键合的硫氰酸根阴离子以及两个 4-甲基吡啶共配体八面体配位,并通过成对的 1,3-桥连阴离子配体连接成链。在这些链中,阳离子呈现交替的全反式和反式构型,从而形成波纹状链。粉末 X 射线衍射证明已获得纯晶相,并且在红外光谱和拉曼光谱中观察到的阴离子配体的 CN 伸缩振动值与桥连阴离子配体的存在一致。