Abstract
In the title compound, [Fe2(C7H4IN)(C3H6S2)(CO)5], the Fe—Fe distance of 2.5156 (11) Å compares well with that in related model structures. The phenyl isocyanide ligand is in the basal position and trans to the S atoms of the propanedithiolate ligand due to steric hindrance. The crystal structure features C—H⋯O interactions.
Highlights
Fe distance of 2.5156 (11) Å compares well with that in related model structures
The phenyl isocyanide ligand is in the basal position and trans to the S atoms of the propanedithiolate ligand due to steric hindrance
The title compound was prepared as a model for the iron-only hydrogenase ([Fe]H2ase) active site
Summary
R factor = 0.051; wR factor = 0.110; data-to-parameter ratio = 13.8. Fe distance of 2.5156 (11) Å compares well with that in related model structures. The phenyl isocyanide ligand is in the basal position and trans to the S atoms of the propanedithiolate ligand due to steric hindrance.
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