College of Engineering and Physical Sciences, School of Infrastructure and Sustainable Engineering, Department of Chemical Engineering and Applied Chemistry, Aston University, Aston Triangle, Birmingham, West Midlands, B4 7ET, United Kingdom.
Department of Physics, University of Warwick, Coventry, CV4 7AL, United Kingdom.
Acta Crystallogr C Struct Chem. 2023 Jan 1;79(Pt 1):18-24. doi: 10.1107/S2053229622011597.
The synthesis and crystal structure (100 K) of the title compound, [(CH)NH][Fe(CHONS)], are reported. The asymmetric unit consists of an octahedral [Fe(L)] fragment, where L is 3-ethoxysalicylaldehyde thiosemicarbazonate(2-), and a dimethylammonium cation. Each L ligand binds with the thiolate S, the imine N and the phenolate O atoms as donors, resulting in an FeSNO chromophore. The ligands are orientated in two perpendicular planes, with the O and S atoms in cis positions, and mutually trans N atoms. The Fe ion is in the high-spin state at 100 K. The variable-temperature magnetic susceptibility measurements (5-320 K) are consistent with the presence of a high-spin Fe ion with D = 0.83 (1) cm and g = 2.
标题化合物 [(CH)NH][Fe(CHONS)] 的合成及晶体结构（100 K）的报道。不对称单元由八面体 [Fe(L)] 片段组成，其中 L 是 3-乙氧基水杨醛缩硫代氨基甲酸盐(2-)，和二甲铵阳离子。每个 L 配体与硫醇 S、亚胺 N 和酚氧 O 原子作为供体结合，形成 FeSNO 生色团。配体定向在两个相互垂直的平面内，O 和 S 原子处于顺式位置，而互呈反式的 N 原子。Fe 离子在 100 K 时处于高自旋态。变温磁化率测量（5-320 K）表明存在高自旋 Fe 离子，D = 0.83（1） cm 和 g = 2。
