title: New Fe(I) -Fe(I) complex featuring a rotated conformation related to the [2 Fe](H) subsite of [Fe-Fe] hydrogenase.
abstract: Rotated geometry: The first example of a dinuclear iron(I)-iron(I) complex featuring a fully rotated geometry related to the active site of [Fe-Fe] hydrogenase is reported.
authors.affiliation: UMR CNRS 6521 Chimie, Electrochimie Moléculaires et Chimie Analytique, Université de Bretagne Occidentale, UFR Sciences et Techniques, CS 93837, 29238 Brest-Cedex 3 (France).
authors.forename: Sabrina
authors.initials: S
authors.lastname: Munery
authors.forename: Jean-François
authors.initials: JF
authors.lastname: Capon
authors.forename: Luca
authors.initials: L
authors.lastname: De Gioia
authors.forename: Catherine
authors.initials: C
authors.lastname: Elleouet
authors.forename: Claudio
authors.initials: C
authors.lastname: Greco
authors.forename: François Y
authors.initials: FY
authors.lastname: Pétillon
authors.forename: Philippe
authors.initials: P
authors.lastname: Schollhammer
authors.forename: Jean
authors.initials: J
authors.lastname: Talarmin
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Zampella
mesh_terms: D001665:Binding Sites; D018360:Crystallography, X-Ray; D006864:Hydrogenase / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D058085:Iron Compounds / Q000737:chemistry*; D007506:Iron-Sulfur Proteins / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D058085:Iron Compounds; D007506:Iron-Sulfur Proteins; D007501:Iron; C118830:iron hydrogenase; D006864:Hydrogenase
keywords: density functional theory calculations; enzyme models; hydrogenases; iron; rotated geometry