Acta Crystallographica Section E: Crystallographic Communications | |
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 | |
Sang, G.1  Ren, G.2  | |
[1] Institute of Materials, China Academy of Engineering Physics, Jiangyou 621908, People's Republic of China;Science and Technology on Surface Physics and Chemistry Laboratory, Jiangyou 621908, People's Republic of China | |
关键词: CRYSTAL STRUCTURE; FES; CATALYSIS; PROTON REDUCTION; ELECTROCHEMISTRY; H-CLUSTER; [FEFE]-HYDROGENASE; HYDROGEN BONDING; | |
DOI : 10.1107/S2056989018001731 | |
学科分类:数学(综合) | |
来源: International Union of Crystallography | |
【 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.
【 授权许可】
CC BY
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