ABSTRACT
The unit cell of the title compound, [FeII(NCS)2(C29H32N8O2)], consists of eight charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand N 1,N 3-bis-{[1-(4-meth-oxy-benz-yl)-1H-1,2,3-triazol-4-yl]methyl-ene}-2,2-di-methyl-propane-1,3-di-amine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole and aldimine groups. Two thio-cyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring mol-ecules are linked through weak Câ¯C, Câ¯N and Câ¯S inter-actions into a one-dimensional chain running parallel to [010]. The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be Hâ¯H (37.5%), Hâ¯C/Câ¯H (24.7%), Hâ¯S/Sâ¯H (15.7%) and Hâ¯N/Nâ¯H (11.7%). The average Fe-N bond distance is 2.167â Å, indicating the high-spin state of the FeII ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements.
ABSTRACT
In the complex cation of the title compound, [Fe(C27H41N10O3)](PF6)2, the tripodal tris-{4-[1-(2-meth-oxy-eth-yl)imidazol-2-yl]-3-aza-but-3-en-yl}amine ligand is coordinated to an FeII ion through the nitro-gen atoms of three imidazole and three imino groups. The Fe atom exhibits a distorted octa-hedral geometry. In the crystal, l and d anti-podes are arranged in layers in the bc plane. Weak Câ¯F and C-Hâ¯F/O contacts exist between the ligands of the complex cation and the PF6 - anions, generating a three-dimensional network. At 120â K, the FeII ion is in a low-spin state, with an average Fe-N bond distance of 1.970â (2)â Å. On heating, the FeII ion converts to the high-spin state, as demonstrated by magnetic susceptibility measurements.