Dataset Information


Bis[1,2-bis-(meth-oxy-carbon-yl)ethene-1,2-dithiol-ato-?(2) S,S']bis-(?(5)-penta-methyl-cyclo-penta-dien-yl)tetra-?3-sulfido-tetra-iron(4 Fe-Fe) hexa-fluoridophosphate.

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.

PROVIDER: S-EPMC3629501 | BioStudies |

REPOSITORIES: biostudies

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