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双[1,2-双（乙氧基羰基）乙烯-1,2-二硫醇合-κ(2) S,S']双（η(5)-五甲基环戊二烯基）四μ3-硫代二铁（IV）二铁（III）（3个铁-铁）

Bis[1,2-bis-(eth-oxy-carbon-yl)ethene-1,2-dithiol-ato-κ(2) S,S']bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)tetra-μ3-sulfido-diiron(IV)diiron(III)(3 Fe-Fe).

作者信息

Ito Shohei, Hisamichi Nozomu, Takase Tsugiko, Inomata Shinji

机构信息

Faculty of Symbiotic Systems Science, Fukushima University, 1 Kanayagawa, Fukushima 960-1296, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):m181. doi: 10.1107/S1600536813005564. Print 2013 Apr 1.

DOI:10.1107/S1600536813005564
PMID:23633986
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629468/
Abstract

The title compound, [Fe4(C10H15)2(C8H10O4S2)2S4], contains a twisted Fe4S4 cubane-like core. A twofold rotation axis passes through the Fe4S4 core, completing the coordination of the four Fe atoms with two penta-methyl-cyclo-penta-dienyl ligands and two chelating dithiol-ate ligands. There are three short Fe-Fe and three long Fe⋯Fe contacts in the Fe4S4 core, suggesting bonding and non-bonding inter-actions, respectively. The Fe-S bonds in the Fe4S4 core range from 2.1523 (5) to 2.2667 (6) Å and are somewhat longer than the Fe-S bonds involving the dithiol-ate ligand.

摘要

标题化合物[Fe4(C10H15)2(C8H10O4S2)2S4]包含一个扭曲的类Fe4S4立方烷核心。一个二重旋转轴穿过Fe4S4核心，使四个铁原子与两个五甲基环戊二烯基配体和两个螯合二硫醇盐配体完成配位。在Fe4S4核心中有三个短的Fe-Fe接触和三个长的Fe⋯Fe接触，分别表明存在键合和非键合相互作用。Fe4S4核心中的Fe-S键长度在2.1523 (5)至2.2667 (6) Å之间，比涉及二硫醇盐配体的Fe-S键稍长。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f8d/3629468/74f0e4688de7/e-69-0m181-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f8d/3629468/74f0e4688de7/e-69-0m181-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f8d/3629468/74f0e4688de7/e-69-0m181-fig1.jpg

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