Pentacarbonyl-1 kappa C-2,2 kappa 3C-(diphenyl-phosphine-1kP)(mu-2-propyl-2-aza-propane-1,3-dithiolato-1 kappa S-2,S ' : 2 kappa S-2,S ')diiron(Fe-Fe)

• The title compound, [Fe-2(C5H11NS2)(C12H11P)(CO)(5)], has been prepared and characterized as a model compound of the iron hydrogenase active site through controlled CO ligand displacement of (mu-SCH2)(2)N(CH2CH2CH3)[Fe-2(CO)(6)] with diphenylphosphine. The central Fe2S2 structure is in a butterfly conformation, and each Fe atom displays pseudo-square-pyramidal geometry. The phosphine group occupies an apical position. The propyl group on the bridging N atom is in an equatorial position and takes a zigzag form. In the crystal packing, adjacent pairs of molecules are associated by S center dot center dot center dot S (3.625 angstrom) intermolecular nonbonded weak interactions.

Keyword

fe-only hydrogenases

active-site models

Publication and Content Type

ref (subject category)

art (subject category)