{μ-2-[4-(1,3-Benzothia-zol-2-yl)phen-yl]-2-aza-propane-1,3-dithiol-ato-κS,S':S,S'}bis-[tricarbonyl-iron(I)].

ABSTRACT: The title compound, [Fe(2)(C(15)H(12)N(2)S(3))(CO)(6)], was prepared as an aza-dithiol-atodiiron model for the active site of [FeFe]-hydrogenase. The Fe(2)S(2) core adopts a butterfly shape, with each metal having a pseudo square-pyramidal geometry. The N-substituted aza-dithiol-ate is μ(2)-κ(4)S,S':S,S'-coordinated to the Fe(CO)(3) moieties to form two fused six-membered rings with different conformations. The sum of the C-N-C angles around the N atom [356.85 (15)°] indicates a flattening of the trigonal-pyramidal geometry about the N atom and an increase in the degree of sp(2)-hybridization.

SUBMITTER: Gao S 

PROVIDER: S-EPMC3297217 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature