Znovjyak Kateryna, Fritsky Igor O, Golenya Iryna A, Sliva Tatiana Y, Haukka Matti
Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, Ukraine.
UkrOrgSyntez Ltd, Chervonotkatska St 67, Kyiv 02094, Ukraine.
Acta Crystallogr E Crystallogr Commun. 2019 Feb 12;75(Pt 3):358-361. doi: 10.1107/S2056989019001531. eCollection 2019 Mar 1.
In the complex cation of the title compound, Fe(CHNO), 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 Fe 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 plane. Weak C⋯F and C-H⋯F/O contacts exist between the ligands of the complex cation and the PF anions, generating a three-dimensional network. At 120 K, the Fe ion is in a low-spin state, with an average Fe-N bond distance of 1.970 (2) Å. On heating, the Fe ion converts to the high-spin state, as demonstrated by magnetic susceptibility measurements.
在标题化合物Fe(CHNO)的复杂阳离子中,三脚架状的三-{4-[1-(2-甲氧基-乙基)咪唑-2-基]-3-氮杂-3-丁烯基}胺配体通过三个咪唑的氮原子和三个亚氨基与一个铁离子配位。铁原子呈现出扭曲的八面体几何构型。在晶体中,l和d对映体在平面上分层排列。复杂阳离子的配体与PF阴离子之间存在弱的C⋯F和C-H⋯F/O接触,形成三维网络。在120 K时,铁离子处于低自旋态,平均Fe-N键长为1.970 (2) Å。通过磁化率测量表明,加热时铁离子转变为高自旋态。