title: Two Fe3(μ3-S)2(CO)8 clusters with terminal N-heterocyclic carbenes.
abstract: The title compounds with terminal N-heterocyclic carbenes, namely octacarbonyl(imidazolidinylidene-κC(2))di-μ3-sulfido-triiron(II)(2 Fe-Fe), [Fe3(C3H6N2)(μ3-S)2(CO)8], (I), and octacarbonyl(1-methylimidazo[1,5-a]pyridin-3-ylidene-κC(3))di-μ3-sulfido-triiron(II)(2 Fe-Fe), [Fe3(C8H8N2)(μ3-S)2(CO)8], (II), have been synthesized. Each compound contains two Fe-Fe bonds and two S atoms above and below a triiron triangle. One of the eight carbonyl ligands deviates significantly from linearity. In (I), dimers generated by an N-H···S hydrogen bond are linked into [001] double chains by a second N-H···S hydrogen bond. These chains are packed by a C-H···O hydrogen bond to yield [101] sheets. In (II), dimers generated by an N-H···S hydrogen bond are linked by C-H···O hydrogen bonds to form [111] double chains.
authors.affiliation: College of Chemistry and Chemical Engineering, Yangzhou University, 180 Si Wang Ting Road, Yangzhou 225002, People's Republic of China.
authors.forename: Wei
authors.initials: W
authors.lastname: Yang
authors.affiliation: College of Chemistry and Chemical Engineering, Yangzhou University, 180 Si Wang Ting Road, Yangzhou 225002, People's Republic of China.
authors.forename: Qiang
authors.initials: Q
authors.lastname: Fu
authors.affiliation: College of Chemistry and Chemical Engineering, Yangzhou University, 180 Si Wang Ting Road, Yangzhou 225002, People's Republic of China.
authors.forename: Jing
authors.initials: J
authors.lastname: Zhao
authors.affiliation: College of Chemistry and Chemical Engineering, Yangzhou University, 180 Si Wang Ting Road, Yangzhou 225002, People's Republic of China.
authors.forename: Huan-Ren
authors.initials: HR
authors.lastname: Cheng
authors.affiliation: College of Chemistry and Chemical Engineering, Yangzhou University, 180 Si Wang Ting Road, Yangzhou 225002, People's Republic of China.
authors.forename: Yao-Cheng
authors.initials: YC
authors.lastname: Shi
mesh_terms: D018360:Crystallography, X-Ray; D005296:Ferrous Compounds / Q000737:chemistry*; D006860:Hydrogen Bonding; D007501:Iron / Q000737:chemistry*; D008024:Ligands; D008697:Methane / Q000031:analogs & derivatives* / Q000737:chemistry; D015394:Molecular Structure
chemical_list: D005296:Ferrous Compounds; D008024:Ligands; C000590235:octacarbonyl(1-methylimidazo(1,5-a)pyridin-3-ylidene-kappaC(3))di-mu3-sulfido-triiron(II); C000590173:octacarbonyl(imidazolidinylidene-kappaC(2))di-mu3-sulfido-triiron(II); C030011:carbene; D007501:Iron; D008697:Methane
keywords: Fe—Fe bond; N-heterocyclic carbenes; crystal structure; hydrogen bonding; iron–sulfur cluster complexes