Crystal structure of fac-(acetylacetonato-κ ² O,O′)tricarbonyl(tri(p-tolyl)phosphine-κP)rhenium(I), C₂₉H₂₈O₅PRe

Abstract

CCDC no.: 1569066One representative complex is shown (Z′ = 4) n = A, B, C, D and n′ = 1-4 for the four respective molecules. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters. Source of materialsThe starting complex fac-[Re(CO) 3 (H 2 O)(acac)] was prepared according to a published procedure [1]. fac-[Re(Acac)(CO) 3 (H 2 O)] (39 mg; 0.1 mmol) was dissolved in methanol (3 mL) and P(p-tolyl) 3 (31 mg; 0.1 mmol) dissolved in 3 mL methanol was added. The solution was stirred for 8 hours at room temperature and then left to crystallize. Yield = 49 mg, 72%. IR (KBr, cm −1 ): ν CO = 2020, 1887. Experimental detailsIn the structure all the H atoms were positioned geometrically and refined discemible using a riding model, with C-H methine = 0.98 Å; C-H methyl = 0.96 Å; C-H aromatic = 0.93 Å. The H atom isotropic displacement parameters were fixed; U iso (H) = 1.2U eq (C) for aromatic and methine and U iso (H) = 1.5U eq (C) for methyl protons, allowing them to ride on the parent atom. CommentIn recent years, rhenium has become one of the most studied transition metals due to the development of the fac- [Re(CO)