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 pentamethylcyclopentadienyl ligands and two chelating dithiolate ligands. There are three short Fe—Fe and three long Fe⋯Fe contacts in the Fe4S4 core, suggesting bonding and non-bonding interactions, 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 dithiolate ligand.
Highlights
Structure Reports OnlineKey indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A; R factor = 0.030; weighted R-factor (wR) factor = 0.080; data-to-parameter ratio = 20.1
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 pentamethylcyclopentadienyl ligands and two chelating dithiolate ligands
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A; R factor = 0.030; wR factor = 0.080; data-to-parameter ratio = 20.1. 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 pentamethylcyclopentadienyl ligands and two chelating dithiolate ligands. There are three short Fe—Fe and three long FeÁ Á ÁFe contacts in the Fe4S4 core, suggesting bonding and non-bonding interactions, respectively. The Fe—S bonds in the Fe4S4 core range from 2.1523 (5) to 2.2667 (6) Aand are somewhat longer than the Fe—S bonds involving the dithiolate ligand. Crystal data [Fe4(C10H15)2(C8H10O4S2)2S4] Mr = 1090.65 Monoclinic, C2=c a = 23.4532 (5) Ab = 10.4466 (2) Ac = 18.3113 (3) A = 90.6186 (7)
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