Abstract
The crystal structure of cis-[Cr(NCS)(cyclam)(µ-NCS)ZnCl3] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4) was determined using synchrotron radiation at 100 K. The chromium(III) ion is coordinated by four N atoms of cyclam and two N-bonded NCS groups in a cis arrangement, displaying a distorted octahedral geometry while the coordination sphere of the zinc(II) ion is bonded by three Cl ions and one S atom from bridged thiocyanate group with a slightly distorted tetrahedral environment. One thiocyanato group N6–C12–S2 forms a µ-1,3-NCS bridge between Cr and Zn ions. The Cr–N(cyclam) bond lengths are in the range of 2.076(2) to 2.086(2) Å while mean Cr–N(NCS) and Zn–S(SCN) bond lengths are 1.997(2) and 2.3819(16) Å. The [Cr(NCS)2(cyclam)]+ moiety in the complex adopts the cis-V configuration. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N–H or C–H groups as donors and Cl ions of the ZnCl3(SCN) unit or S atoms of NCS groups as acceptors. Hirshfeld surface analysis indicated that the H···Cl/Cl···H (36.1%), H···H (24.8%), H···S/S···H (23.8%) and H···C/C···H (5.2%) interactions contributed most importantly to the crystal packing. Infrared (IR) spectroscopic properties were also described.
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