title: Visualising the carboxylate shift at a bioinspired diiron(II) site in the solid state.
abstract: A novel pyrazolate-based diiron(II) complex shows five different binding modes of exogenous carboxylate ligands in a single crystal structure. Temperature dependent X-ray data reveal thermally induced disorder due to carboxylate dynamics that resemble the carboxylate shift, as it is known from various diiron enzyme active sites.
authors.affiliation: Institut für Anorganische Chemie, Georg-August-Universität, Tammannstrasse 4, 37077 Göttingen, Germany.
authors.forename: Boris
authors.initials: B
authors.lastname: Burger
authors.forename: Sebastian
authors.initials: S
authors.lastname: Dechert
authors.forename: Christian
authors.initials: C
authors.lastname: Grosse
authors.forename: Serhiy
authors.initials: S
authors.lastname: Demeshko
authors.forename: Franc
authors.initials: F
authors.lastname: Meyer
mesh_terms: D040761:Biomimetic Materials / Q000138:chemical synthesis* / Q000737:chemistry*; D002264:Carboxylic Acids / Q000737:chemistry*; D007501:Iron / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D011720:Pyrazoles / Q000737:chemistry
chemical_list: D002264:Carboxylic Acids; D009942:Organometallic Compounds; D011720:Pyrazoles; C031280:pyrazole; D007501:Iron