Synthesis and crystal structure of deca­carbon­yl(μ3-3,7-di­thia­nonane-1,9-di­thiol­ato)bis­(μ2-propane-1,3-di­thiol­ato)nickel(II)tetra­iron(II) di­chloro­methane disolvate

[摘要] The title compound,, [Fe4Ni(C3H6S2)2(C7H14S4)(CO)10]·2CH2Cl2, is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoeth­yl)-1,3-propane­dithio ether nickel(II) was firstly introduced into [Fe2(C3H6S2)(CO)5] as an S-containing ligand. It coordinates with two [Fe2(C3H6S2)(CO)5] groups, and a five-metal core complex is formed. The Fe2S2 core is in a butterfly conformation. The Fe—Fe distances in the [Fe2(C3H6S2)(CO)5] groups are 2.5126 (6) and 2.5086 (7) Å. The distances between the adjacent Fe and Ni atoms are 3.5322 (1) and 3.5143 (1) Å. There are intra­molecular C—H⋯O and C—H⋯S contacts present in the complex. In the crystal, the five metal cores are linked via C—H⋯O hydrogen bonds, forming columns lying parallel to (110). The di­chloro­methane solvent mol­ecules are each partially disordered over two positions and only one is linked to the five-metal core complex by a C—H⋯O hydrogen bond.

[学科分类] 数学（综合）

[关键词] CRYSTAL STRUCTURE;FES;CATALYSIS;PROTON REDUCTION;ELECTROCHEMISTRY;H-CLUSTER;[FEFE]-HYDROGENASE;HYDROGEN BONDING