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双[1,2-双（甲氧基羰基）乙烯-1,2-二硫醇根合-κ(2)S,S']双（η(5)-五甲基环戊二烯基）四-μ3-硫代四铁（4Fe-Fe）六氟磷酸酯

Bis[1,2-bis-(meth-oxy-carbon-yl)ethene-1,2-dithiol-ato-κ(2) S,S']bis-(η(5)-penta-methyl-cyclo-penta-dien-yl)tetra-μ3-sulfido-tetra-iron(4 Fe-Fe) hexa-fluoridophosphate.

作者信息

Inomata Shinji, Ito Shohei, Takase Tsugiko

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 23;69(Pt 4):m227-8. doi: 10.1107/S1600536813007514. Print 2013 Apr 1.

DOI:10.1107/S1600536813007514
PMID:23634019
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629501/
Abstract

The asymmetric unit of the title compound, [Fe4(C6H6O4S2)2(C10H15)2S4]PF6, contains two different complex cations and two PF6 (-) anions. The two complex cations have similar conformations with the butterfly-like Fe4S4 core surrounded by two penta-methyl-cyclo-penta-dienyl ligands and the S atoms of two dithiol-ate ligands. In each Fe4S4 core, there are four short Fe-Fe and two long Fe⋯Fe contacts, suggesting bonding and non-bonding inter-actions, respectively. The Fe-S distances range from 2.1287 (13) to 2.2706 (16) Å for one and from 2.1233 (13) to 2.2650 (16) Å for the other Fe4S4 core. The Fe-S distances involving the dithiol-ate ligands are in a more narrow range [2.1764 (16)-2.1874 (13) Å for one and 2.1743 (14)-2.1779 (16) Å for the other cation]. There are no significant inter-actions between cations and anions.

摘要

标题化合物[Fe4(C6H6O4S2)2(C10H15)2S4]PF6的不对称单元包含两个不同的络合阳离子和两个PF6 (-) 阴离子。两个络合阳离子具有相似的构象，蝶状的Fe4S4核被两个五甲基环戊二烯基配体和两个二硫醇盐配体的S原子包围。在每个Fe4S4核中，有四个短的Fe-Fe接触和两个长的Fe⋯Fe接触，分别表明存在键合和非键合相互作用。一个Fe4S4核的Fe-S距离范围为2.1287 (13) 至2.2706 (16) Å，另一个Fe4S4核的Fe-S距离范围为2.1233 (13) 至2.2650 (16) Å。涉及二硫醇盐配体的Fe-S距离范围更窄 [一个为2.1764 (16)-2.1874 (13) Å，另一个阳离子为2.1743 (14)-2.1779 (16) Å]。阳离子和阴离子之间没有明显的相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfd/3629501/6ce2faf89fd2/e-69-0m227-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfd/3629501/6ce2faf89fd2/e-69-0m227-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6bfd/3629501/6ce2faf89fd2/e-69-0m227-fig1.jpg

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