Abstract
In the course of our investigations regarding transition-metal thio-cyanates with thio-urea derivatives, the title compound, [Ni(NCS)2(C5H12N2S)2], was obtained. The asymmetric unit consists of one thio-cyanate anion and one tetra-methyl-thio-urea mol-ecule on general positions, as well as one NiII cation that is located on a twofold rotational axis. In this compound, discrete complexes are formed in which the NiII cations are surrounded by two trans-N-bonding thio-cyanate anions as well as two trans-S-bonding tetra-methyl-thio-urea mol-ecules within a distorted square-planar coordination geometry. The discrete complexes are linked by pairs of weak C-H⋯S hydrogen bonds between the thio-cyanate S and one of the tetra-methyl-thio-urea methyl hydrogen atoms into chains along the crystallographic a- and c-axis directions, which are combined into layers parallel to the ac plane. X-ray powder diffraction proves that a pure crystalline phase was obtained and measurements using thermogravimetry and differential thermoanalysis reveal that the compound decomposes at about 408 K, where all tetra-methyl-thio-urea mol-ecules are lost.
Highlights
In the course of our investigations regarding transition-metal thiocyanates with thiourea derivatives, the title compound, [Ni(NCS)2(C5H12N2S)2], was obtained
The asymmetric unit consists of one thiocyanate anion and one tetramethylthiourea molecule on general positions, as well as one NiII cation that is located on a twofold rotational axis
Discrete complexes are formed in which the NiII cations are surrounded by two trans-N-bonding thiocyanate anions as well as two trans-S-bonding tetramethylthiourea molecules within a distorted square-planar coordination geometry
Summary
Many thiocyanate coordination compounds are reported in the literature, which mostly consist of discrete complexes containing non-bridging N-terminally coordinated thiocyanate anions, while compounds in which the metal cations are bridged by these anionic ligands are comparatively rare. Our interest focuses mainly on transition-metal thiocyanates with the general composition [M(NCS)2(coligand)2]n with M = MnII, FeII, CoII or NiII that consist of linear chains, in which the metal cations are connected by pairs of N- and S-bonding thiocyanate anions into centrosymmetric M2(NCS) units, while the remaining sites of the coordination octahedron are occupied by neutral coligands forming a coordination environment in which all ligands are trans (Wohlert et al, 2014; Werner et al, 2014, 2015; Prananto et al, 2017) Investigation of the thermal behavior of the title compound shows that it decomposes at about 408 K in one discrete step of 59.0%, which is in agreement with the mass loss calculated for the loss of all coligand molecules of 60.2% (Fig. S3)
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