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(5,10,15,20-四苯基-卟啉合-κN)钴(II)-18-冠-6(1/1)

(5,10,15,20-Tetra-phenyl-porphyrinato-κN)cobalt(II)-18-crown-6 (1/1).

作者信息

Mansour Anissa, Belkhiria Mohamed Salah, Daran Jean-Claude, Nasri Habib

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 10;66(Pt 5):m509-10. doi: 10.1107/S1600536810012080.

Abstract

The asymmetric unit of the title compound, [Co(C(44)H(28)N(4))]·C(12)H(24)O(6), contains one half of a Co(II)(TPP) (TPP is tetra-phenyl-porphyrin) complex and one half of an 18-crown-6 mol-ecule of crystallization, both lying on inversion centers. The Co(II)(TPP) complex exhibits a nearly planar conformation of the porphyrinate core [maximum deviation = 0.069 (2) Å] with an average Co-N distance of 1.971 (4) Å. The distance between the Co atom and the closest O atom of the 18-crown-6 mol-ecule is 2.533 (2) Å, indicating a short non-bonded contact between the Co atom and the crown ether mol-ecule. An ethyl-ene group of the 18-crown-6 mol-ecule is disordered over two sites with occupancies of 0.565 (7) and 0.435 (7).

摘要

标题化合物[Co(C₄₄H₂₈N₄)]·C₁₂H₂₄O₆的不对称单元包含一个Co(II)(TPP)(TPP为四苯基卟啉)配合物的一半和一个结晶的18-冠-6分子的一半,二者均位于对称中心上。Co(II)(TPP)配合物的卟啉环核心呈现出近乎平面的构象[最大偏差 = 0.069 (2) Å],Co-N平均距离为1.971 (4) Å。Co原子与18-冠-6分子中最近的O原子之间的距离为2.533 (2) Å,表明Co原子与冠醚分子之间存在短程非键接触。18-冠-6分子的一个乙烯基在两个位置上无序分布,占有率分别为0.565 (7)和0.435 (7)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2cea/2979047/24b1a96d55dc/e-66-0m509-fig1.jpg

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