Krebs Christoph, Ceglarska Magdalena, Näther Christian
Institut für Anorganische Chemie, Christian-Albrechts-Universität zu Kiel, Max-Eyth-Str. 2, D-24118 Kiel, Germany.
Institute of Physics, Jagiellonian University, Lojasiewicza 11, 30-348 Kraków, Poland.
Acta Crystallogr E Crystallogr Commun. 2021 Oct 8;77(Pt 11):1082-1086. doi: 10.1107/S2056989021010033. eCollection 2021 Nov 1.
The crystal structure of the title solvated coordination compound, [Co(NCS)(CHN)(HO)]·2CHN·2CHN, consists of discrete complexes in which the Co cations (site symmetry ) are sixfold coordinated by two N-bonded thio-cyanate anions, two water mol-ecules and two hexa-methyl-ene-tetra-mine (HMT) mol-ecules to generate distorted -CoNO octa-hedra. The discrete complexes are each connected by two HMT solvate mol-ecules into chains strong O-H⋯N hydrogen bonds. These chains are further linked by additional O-H⋯N and C-H⋯N and C-H⋯S hydrogen bonds into a three-dimensional network. Within this network, channels are formed that propagate along the -axis direction and in which additional aceto-nitrile solvent mol-ecules are embedded, which are hydrogen bonded to the network. The CN stretching vibration of the thio-cyanate ion occurs at 2062 cm, which is in agreement with the presence of N-bonded anionic ligands. XRPD investigations prove the formation of the title compound as the major phase accompanied by a small amount of a second unknown phase.
标题溶剂化配位化合物[Co(NCS)(CHN)(HO)]·2CHN·2CHN的晶体结构由离散的配合物组成，其中Co阳离子（位点对称性 ）通过两个N键合的硫氰酸根阴离子、两个水分子和两个六亚甲基四胺（HMT）分子进行六配位，形成扭曲的-CoNO八面体。离散的配合物通过两个HMT溶剂分子连接成链 强O-H⋯N氢键。这些链通过额外的O-H⋯N、C-H⋯N和C-H⋯S氢键进一步连接成三维网络。在这个网络中，形成了沿-轴方向传播的通道，额外的乙腈溶剂分子嵌入其中，并与网络形成氢键。硫氰酸根离子的CN伸缩振动出现在2062 cm处，这与N键合阴离子配体的存在一致。XRPD研究证明标题化合物作为主要相形成，同时伴有少量的第二个未知相。
