%0 Generic %A Chatterjee, Tamal %A Ravikanth, Mangalampalli %D 2014 %T Synthesis, Structure, and Catalytic Activity of Pd(II) Complex of Calixoxasmaragdyrin %U https://acs.figshare.com/articles/dataset/Synthesis_Structure_and_Catalytic_Activity_of_Pd_II_Complex_of_Calixoxasmaragdyrin/2248894 %R 10.1021/ic501595f.s003 %2 https://acs.figshare.com/ndownloader/files/3884863 %K reflux temperature %K crystal structure %K pyrrole nitrogens plane %K 477 nm %K pyrrolic nitrogens %K Catalytic Activity %K N 1N %K CH 3CN %K dipyrromethane moiety %K absorption band %K base calixoxasmaragdyrin %K PdCl 2 %K calixoxasmaragdyrin macrocycle %K redox conditions %X The palladium­(II) complex of calixoxasmaragdyrin was prepared in 80% yield by treating the free base calixoxasmaragdyrin with PdCl2 in CH3CN at reflux temperature. The crystal structure solved for Pd­(II) calixoxasmaragdyrin indicates that the calixoxasmaragdyrin macrocycle is highly distorted and attained a boat shaped structure. The Pd­(II) ion is coordinated to four pyrrolic nitrogens in square planar fashion, and it is placed at ∼0.138 Å above from the four coordinating pyrrole nitrogens plane (N1N2N3N4). The Pd–N bond lengths are inequivalent, and the Pd­(II) ion is positioned more toward the dipyrromethane moiety of calixoxasmaragdyrin. The complex shows one broad absorption band at 477 nm and is not very stable under redox conditions. The Pd­(II) calixoxasmaragdyrin showed good catalytic activity in the Suzuki–Miyaura cross coupling reactions. %I ACS Publications