Di - μacetato-bis-(dimethylformamide)-pentakis-(μ-N,2-dioxidobenzene- 1-car-boximidato)tetrakis-(1-ethylimidazole)-pentamanganese(III)-manganese(II) -diethyl ether-dimethylforamidemethanol-water (1/1/1/1/0.12)

Abstract

The title compound [Mn 6(C 7H 4NO 3) 5(CH 3CO 2) 2(C 5H 8N 2) 4-(C 3H 7NO) 2]·(C 2H 5) 2O·C 3H 7NO·CH 3OH·0.12H 2O, abbreviated as Mn II(OAc) 2[15-MCMnIII(N)shi-5](EtIm)4(DMF)2·diethyl ether·DMF· MeOH·0.12H 2O (where -OAc is acetate, MC is metallacrown, shi 3- is salicylhydroximate, EtIM is n-ethylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol) contains five Mn III ions as members of the metallacrown ring and an Mn II ion bound in the central cavity. The central Mn II ion is seven-coordinate with a distorted face-capped trigonal-prismatic geometry. The five Mn III ions of the metallacrown ring are six-coordinate with distorted octa-hedral geometries. The configuration of the Mn III ions about the metallacrown ring follow a ΔΔΔPP pattern, with P representing planar. The four 1-ethyl-imidazole ligands are bound to four different Mn III ions. A diethyl ether solvent molecule was found to be disordered over two mutually exclusive sites with an occupancy ratio of 0.568 (7):0.432 (7). A methanol solvent molecule was found to be disordered over two mutually exclusive sites by being hydrogen bonded either to a dimethyl-formamide solvent molecule (major occupancy component) or to an O atom of the main molecule (minor occupancy component). The occupancy ratio refined to 0.678 (11):0.322 (11). Associated with the minor component is a partially occupied water molecule [total occupancy 0.124 (15)].