Data to su+D6:K66pport study of Di-Iron(II) [2+2] Helicates of Bis-(Dipyrazolylpyridine) Ligands – the Influence of the Ligand Linker Group on Spin State Properties

A diiron(II) complex has been crystallised in three different helicate conformations, which differ in the torsions of the butane-1,4-diyl ligand linker groups. The crystals exhibit a range of spin state properties, including stepwise spin-crossover of the two iron atoms. A related ligand with a rigid pyrid-2,6-diyl spacer forms more a distorted, high-spin diiron(II) helicate structure.

一种二铁(II)配合物可结晶为三种不同的螺旋配合物构象，这三种构象的差异源于丁烷-1,4-二基配体连接基团的扭转方式不同。所得晶体展现出多样的自旋态性质，其中包含两个铁原子的逐步自旋交叉现象。

带有刚性吡啶-2,6-二基间隔基的相关配体可形成畸变程度更高的高自旋二铁(II)螺旋配合物结构。