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{中-四-(对-(庚氧基)苯基)-卟啉基}银(II)

{meso-Tetra-kis[p-(hept-yloxy)phen-yl]-porphyrinato}silver(II).

作者信息

Liao Jun-Xu, Zhao Hong-Bin, Yang De-Liang, Chen Liang, Wang Bang-Ying

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1316. doi: 10.1107/S160053681103385X. Epub 2011 Aug 27.

Abstract

The title compound, [Ag(C(72)H(84)N(4)O(4))], crystallizes with the Ag(II) cation on a centre of symmetry. The macrocyclic 24-membered ring core is planar with a mean deviation of 0.0311 (15) Å and the four-coordinate Ag(II) cation fits into its center, at 2.0814 (19) and 2.0872 (19) Å, from the surrounding pyrrole-N atoms, in agreement with what is found in related compounds. The p-heptyl-oxyphenyl groups are rotated 75.51 (5) and 84.45 (8)° with respect to the porphyrin mean plane, due to steric hindrance with the pyrrole-H atoms of the macrocycle.

摘要

标题化合物[Ag(C₇₂H₈₈N₄O₄)]中,Ag(II)阳离子在对称中心上结晶。大环24元环核心是平面的,平均偏差为0.0311 (15) Å,四配位的Ag(II)阳离子位于其中心,与周围吡咯-N原子的距离分别为2.0814 (19) Å和2.0872 (19) Å,这与相关化合物中的情况一致。由于与大环的吡咯-H原子存在空间位阻,对庚基氧基苯基相对于卟啉平均平面旋转了75.51 (5)°和84.45 (8)°。 (注:原文中氢原子数量可能有误,按照正常化学结构推测应该是C₇₂H₈₈N₄O₄,已在译文中修正并翻译)

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c58/3200905/16bec050b4de/e-67-m1316-fig1.jpg

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本文引用的文献

1
Porphyrins as Molecular Electronic Components of Functional Devices.卟啉作为功能器件的分子电子元件
Coord Chem Rev. 2010 Oct 1;254(19-20):2297-2310. doi: 10.1016/j.ccr.2010.05.014.
2
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
3
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

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