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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (diethyl ether-κO)[5,10,15,20-tetra­kis­(2-iso­thio­cyanato­phen­yl)porphyrinato-κ4N]zinc diethyl ether solvate
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Crystal structure of (diethyl ether-κO)[5,10,15,20-tetra­kis­(2-iso­thio­cyanato­phen­yl)porphyrinato-κ4N]zinc diethyl ether solvate

机译：（二乙醚-κO）[5,10,15,20-四（2-异硫氰酸根合苯基）卟啉-κ4N]二乙醚锌溶剂化物的晶体结构

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摘要

The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol­ecule in a slightly distorted square-pyramidal environment with the diethyl ether mol­ecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether mol­ecule. All four iso­thio­cyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate mol­ecules are located around a twofold rotation axis. The O atom of the solvent mol­ecule is not positioned exactly on the twofold rotation axis, thus making the whole mol­ecule equally disordered over two symmetry-related positions.
机译：标题化合物[Zn（C48H24N8S4）（C4H10O）]·C4H10O的晶体结构由位于两个旋转轴上的离散卟啉配合物组成。 ZnII阳离子由卟啉部分的四个N原子和乙醚分子的一个O原子配成五倍配位，而该锥体分子在锥角正方形的环境中稍稍扭曲，而乙醚分子位于顶端位置。卟啉主链几乎是平面的，金属阳离子稍微移出平面，向配位的二乙醚分子移动。介孔栅卟啉的特征是，在中间位置的苯基取代基的所有四个异硫氰酸根合基团都面对卟啉的同一侧。在晶体结构中，离散的卟啉络合物以这样的方式排列：形成空腔，其中另外的二乙醚溶剂化物分子围绕双重旋转轴定位。溶剂分子的O原子未精确定位在双重旋转轴上，因此使整个分子在两个对称相关的位置上均等地无序。

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