Teramoto Kazunori, Kawasaki Takeshi, Nishide Toshikazu, Ikeda Yasuhisa
Department of Chemical Biology and Applied Chemistry, College of Engineering, Nihon University, 1 Nakagawara Tokusada Tamura, Koriyama 963-8642, Japan.
Department of Chemistry, Faculty of Science, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):m8-9. doi: 10.1107/S2056989014026966.
The crystal structure of the title complex, [Fe(C12H8N2)3][(CF3SO2)2N]2·H2O, is constructed by one octa-hedral Fe(phen)3 (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf2N(-) [bis-(tri-fluoromethyl-sulfon-yl)imide] anions, and one water mol-ecule of crystallization (point group 2). The Fe-N bond lengths are indicative of a d (6) low-spin state for the Fe(II) ion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6)°. The Tf2N(-) counter-anion is non-coordinating, with the -CF3 groups arranged in a trans fashion with respect to each other, leading to an anti,anti conformation of the -CF3 groups and -SO2N- moieties relative to the S-C bonds. The water mol-ecule of crystallization connects two O atoms of the Tf2N(-) anions through weak hydrogen bonds. C-H⋯O hydrogen-bonding inter-actions are also observed, consolidating the packing of the mol-ecules into a three-dimensional network structure.
标题配合物[Fe(C₁₂H₈N₂)₃][(CF₃SO₂)₂N]₂·H₂O的晶体结构由一个八面体Fe(phen)₃（phen = 1,10 - 菲咯啉）阳离子（点群对称性2）、两个Tf₂N⁻[双（三氟甲基磺酰基）亚胺]阴离子和一个结晶水分子（点群2）构成。Fe - N键长表明配合物中Fe(II)离子处于d(6)低自旋态。阳离子中phen配体之间的二面角为87.64 (6)°。Tf₂N⁻抗衡阴离子是非配位的，-CF₃基团彼此呈反式排列，导致 -CF₃基团和 -SO₂N - 部分相对于S - C键呈反 - 反构象。结晶水分子通过弱氢键连接两个Tf₂N⁻阴离子的O原子。还观察到C - H⋯O氢键相互作用，将分子堆积巩固成三维网络结构。
