首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of tris­(1,10-phenanthroline-κ2N,N′)iron(II) bis­[bis­(tri­fluoro­methyl­sulfon­yl)imide] monohydrate
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Crystal structure of tris­(1,10-phenanthroline-κ2N,N′)iron(II) bis­[bis­(tri­fluoro­methyl­sulfon­yl)imide] monohydrate

机译:三[1,10-菲咯啉-κ2N,N')铁(II)双[双(三氟甲基磺酰基)酰亚胺]一水合物的晶体结构

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摘要

The crystal structure of the title complex, [Fe(C12H8N2)3][(CF3SO2)2N]2·H2O, is constructed by one octa­hedral [Fe(phen)3]2+ (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf2N− [bis­(tri­fluoromethyl­sulfon­yl)imide] anions, and one water mol­ecule of crystallization (point group 2). The Fe—N bond lengths are indicative of a d6 low-spin state for the FeII 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 mol­ecule of crystallization connects two O atoms of the Tf2N− anions through weak hydrogen bonds. C—H⋯O hydrogen-bonding inter­actions are also observed, consolidating the packing of the mol­ecules into a three-dimensional network structure.
机译: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] 2+(phen = 1,10-phenothroline)阳离子(点组对称性2),两个Tf2N- [双(三氟甲基磺酰基)酰亚胺]阴离子和一个结晶水分子(点组2)。 Fe-N键的长度表示配合物中FeII离子的d6低旋态。阳离子中的phen配体之间的二面角为87.64°(6)°。 Tf2N-抗衡阴离子是不配位的,–CF3基团相对于彼此成反式排列,从而导致–CF3基团和–SO2N–部分相对于S-C具有反,反构象。债券。结晶水分子通过弱氢键连接Tf2N-阴离子的两个O原子。还观察到CHOH氢键相互作用,将分子的堆积巩固为三维网络结构。

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