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一种具有低自旋构型的{三[4-(1H-吡唑-3-基-κN(2))-3-氮杂丁-3-烯基]胺-κN}铁(II)双(四氟硼酸根)甲醇单溶剂合物的新型晶体结构。

A novel crystal structure of {tris[4-(1H-pyrazol-3-yl-κN(2))-3-azabut-3-enyl]amine-κN}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration.

作者信息

Struch Niklas, Schnakenburg Gregor, Lützen Arne

机构信息

Kekulé-Institut für Organische Chemie und Biochemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Gerhard-Domagk-Strasse 1, 53121 Bonn, Germany.

Institut für Anorganische Chemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Gerhard-Domagk-Strasse 1, 53121 Bonn, Germany.

出版信息

Acta Crystallogr C Struct Chem. 2015 Dec 1;71(Pt 12):1048-52. doi: 10.1107/S2053229615020409. Epub 2015 Nov 7.

DOI:10.1107/S2053229615020409
PMID:26632829
Abstract

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)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.

摘要

单核配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Fe(C₁₈H₂₄N₁₀)₂·CH₃OH的一种新颖晶体结构,每个化学式单元含有一个甲醇分子,其在金属中心呈现出与低自旋构型相关的严格六重配位球。掺入的甲醇溶剂分子促进了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晶体结构限制较少,从而允许发生自旋转变,而在先前报道的标题化合物水合物中这种自旋转变受到抑制。

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