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Neutral and Cationic Iron-Sulfur Complexes and Clusters. Syntheses and Crystal Structures of *PhMe and , and on the Formation of +, 2+, + and 2+ (R = 2,4,6-i-Pr3C6H2; L = SC(NMe2)2)
Bierbach, Ulrich,Saak, Wolfgang,Haase, Detlev,Pohl, Siegfried
, p. 1629 - 1634 (2007/10/02)
Iron Sulfur Complexes and Clusters, Synthesis, Crystal StructureThe reaction of (1; L = SC(NMe2)2) with KSR (R = 2,4,6-i-Pr3C6H2) yields *PhMe (2). Oxidation of the thiolate ligands of 2 with ((Me2N)2CSSC(NMe2)2)2+ affords the cationic complexes + and 2+, which were isolated as tetraphenylborate salts. A mixed ligand neutral iron sulfur cluster (3) has been synthesized by the reaction of 2 with elemental sulfur. 3 is a precursor for cationic clusters which are obtained via the above-mentioned oxidation.The structures of 2 and 3 were determined from single crystal X-ray diffraction data. 2 crystallizes in the monoclinic space group C2/c with a = 1807.8(1), b = 1000.6(1), c = 2946.0(2) pm, β = 101.16(1) deg, V = 5227.6x106 pm3, Z = 4, R = 0.067.The complex exhibits C2-symmetry and a distorted tetrahedral coordination of Fe(III) (S-Fe-S angles between 101.7 and 125.77 deg).The Fe-Sthiourea and Fe-Sthiolate bond lengths were found to be 240.3(2) and 231.5(1) pm, respectively. 3: triclinic, P1, a = 1020.2(2), b = 1035.3(2), c = 1402.1(2) pm, α = 73.50(1), β = 70.47(1), γ = 84.38(1) deg , V = 1338.2x106 pm3, Z = 1, R = 0.039. 3 shows a slightly compressed Fe4S4 core structure.The Fe-Fe distances range from 269.1 to 278.1 pm.The shortest and longest distances are observed between those Fe atoms which have two thiourea and two thiolate ligands, respectively.
