首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >A novel crystal structure of {tris[4-(1H-pyrazol-3-yl-κN2)-3-azabut-3-enyl]amine-κN}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration
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A novel crystal structure of {tris[4-(1H-pyrazol-3-yl-κN2)-3-azabut-3-enyl]amine-κN}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration

机译:{tris [4-(1H-吡唑-3-基-κN2)-3-氮杂丁-3-基]胺-κN}铁(II)双(四氟硼酸酯)甲醇单溶剂合物的新型晶体结构

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摘要

Mononuclear complexes are good model systems for evaluating the effects of different ligand systems on the magnetic properties of iron(II) centres. A novel crystal structure of the title compound, [Fe(C18H24N10)](BF4)2·CH3OH, with one molecule of methanol per formula unit exhibits a strictly sixfold coordination sphere associated with a low-spin configuration at the metal centre. The incorporated methanol solvent molecule promotes extended hydrogen-bonding networks between the tetrafluoridoborate anions and the cationic units. A less constrained crystal structure regarding close contacts between the tetrafluoridoborate anions and the cationic units allows a spin transition which is inhibited in the previously published hydrate of the title compound.
机译:单核络合物是评估不同配体体系对铁(II)中心磁性能影响的良好模型系统。标题化合物的新型晶体结构[Fe(C18H24N10)](BF4)2·CH3OH,每个分子式单元含一个甲醇分子,显示出严格的六倍配位域和金属中心的低旋结构。掺入的甲醇溶剂分子促进四氟硼酸根阴离子与阳离子单元之间扩展的氢键网络。关于四氟硼酸根阴离子与阳离子单元之间紧密接触的较少受约束的晶体结构允许自旋转变,这在先前公开的标题化合物的水合物中被抑制。

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