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1.
Acta Crystallogr E Crystallogr Commun ; 77(Pt 5): 495-499, 2021 May 01.
Article in English | MEDLINE | ID: mdl-34026252

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 C⋯C, C⋯N and C⋯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 H⋯H (37.5%), H⋯C/C⋯H (24.7%), H⋯S/S⋯H (15.7%) and H⋯N/N⋯H (11.7%). The average Fe-N bond distance is 2.167 Å, indicating the high-spin state of the FeII ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements.

2.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 3): 358-361, 2019 Mar 01.
Article in English | MEDLINE | ID: mdl-30867949

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 C⋯F and C-H⋯F/O contacts exist between the ligands of the complex cation and the PF6 - anions, generating a three-dimensional network. At 120 K, the FeII ion is in a low-spin state, with an average Fe-N bond distance of 1.970 (2) Å. On heating, the FeII ion converts to the high-spin state, as demonstrated by magnetic susceptibility measurements.

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