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)
2007 (English)In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 63, M1959-U1552 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2007. Vol. 63, M1959-U1552 p.
fe-only hydrogenases, active-site models
IdentifiersURN: urn:nbn:se:kth:diva-16808DOI: 10.1107/s1600536807029431ISI: 000248149900148ScopusID: 2-s2.0-34547170157OAI: oai:DiVA.org:kth-16808DiVA: diva2:334851
QC 201005252010-08-052010-08-05Bibliographically approved