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Synthesis and crystal structure of deca-carbon-yl(?3-3,7-di-thia-nonane-1,9-di-thiol-ato)bis-(?2-propane-1,3-di-thiol-ato)nickel(II)tetra-iron(II) di-chloro-methane disolvate.

ABSTRACT: 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-mercaptoeth-yl)-1,3-propane-dithio 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 intra-molecular 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 di-chloro-methane solvent mol-ecules 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.

SUBMITTER: Ren G

PROVIDER: S-EPMC5947796 | biostudies-literature |

REPOSITORIES: biostudies-literature

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