Structure of the Triaquatricarbonylrhenium(I) Cation and Its Conjugate Base

Abstract

Abstract The crystal structure of the Re(CO) 3 (H 2 O) 3 + cation has been determined from crystals obtained by evaporation of an aqueous solution of [Re(CO) 3 (H 2 O) 3 ]Br. The bromide ion is incorporated in the Re 2 (CO) 9 (μ 3 ‐Br) 3 – anion. A second structure was obtained by removal of bromide as AgBr and precipitation of the Re(CO) 3 (H 2 O) 3 + cation with PF 6 – . In the latter structure the conjugate base, Re(CO) 3 (OH)(H 2 O) 2 is co‐crystallized in the structure. Each structure along with the previously known cubane [Re(CO) 3 (μ 3 ‐OH)] 4 · 4H 2 O was obtained multiple times during crystallization studies. The use of other anions to generate crystalline products was unsuccessful. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)