Abstract

The novel mixed-ligand ionic complex compound [Nd(ε-caprolactam) 8][Cr(NCS) 6] was prepared by the reaction between NdCl 3, ε-caprolactam and K 3[Cr(NCS) 6] in water solution and structurally characterized. Crystals are triclinic, space group P 1 ¯ , a = 14.2438(6) AA, b = 14.5641(6) Å, c = 17.0308(7) Å, α = 92.5180(10)°, β = 91.0130(10)°, γ = 108.6020(10)°, V = 3343.3(2) Å 3, Z = 2, T = 90 K, D x = 1.440 g cm −3, R = 0.0342 for 16,296 ( I > 2 σI). Caprolactam ligands are completely ordered. The neodymium(III) atom is in distorted square-antiprismatic environment of eight oxygen atoms of L ligands, Nd–O = 2.37–2.54 Å. NH groups of caprolactam ligands are involved in hydrogen bonding forming NH…O intramolecular and NH…S(CN) inter-ionic contacts so that each cation is joined to three anions and vice versa.

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