Abstract
The title compound [Mn6(C7H4NO3)5(CH3CO2)2(C5H8N2)4(C3H7NO)2]·(C2H5)2O·C3H7NO·CH3OH·0.12H2O, abbreviated as MnII(OAc)2[15-MCMnIII(N)shi-5](EtIm)4(DMF)2·diethyl ether·DMF·MeOH·0.12H2O (where −OAc is acetate, MC is metallacrown, shi3− is salicylhydroximate, EtIM is n-ethylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol) contains five MnIII ions as members of the metallacrown ring and an MnII ion bound in the central cavity. The central MnII ion is seven-coordinate with a distorted face-capped trigonal–prismatic geometry. The five MnIII ions of the metallacrown ring are six-coordinate with distorted octahedral geometries. The configuration of the MnIII ions about the metallacrown ring follow a ΔΛΔPP pattern, with P representing planar. The four 1-ethylimidazole ligands are bound to four different MnIII 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 dimethylformamide 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)].
Highlights
The title compound [Mn6(C7H4NO3)5(CH3CO2)2(C5H8N2)4abbre(C3H7NO)2](C2H5)2OC3H7NOCH3OH0.12H2O, viated as MnII(OAc)2[15-MCMnIII(N)shi-5](EtIm)4(DMF)2diethyl etherDMFMeOH0.12H2O contains five MnIII ions as members of the metallacrown ring and an MnII ion bound in the central cavity
Is methanol) contains five MnIII ions as members of the metallacrown ring and an MnII ion bound in the central cavity
The five MnIII ions of the metallacrown ring are six-coordinate with distorted octahedral geometries
Summary
The title compound [Mn6(C7H4NO3)5(CH3CO2)2(C5H8N2)4abbre(C3H7NO)2](C2H5)2OC3H7NOCH3OH0.12H2O, viated as MnII(OAc)2[15-MCMnIII(N)shi-5](EtIm)4(DMF)2diethyl etherDMFMeOH0.12H2O (where OAc is acetate, MC is metallacrown, shi is salicylhydroximate, EtIM is nethylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol) contains five MnIII ions as members of the metallacrown ring and an MnII ion bound in the central cavity. The central MnII ion is seven-coordinate with a distorted facecapped trigonal–prismatic geometry. The five MnIII ions of the metallacrown ring are six-coordinate with distorted octahedral geometries. The configuration of the MnIII ions about the metallacrown ring follow a PP pattern, with P representing planar. 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 dimethylformamide solvent molecule (major occupancy component) or to an O atom of the main molecule (minor occupancy component).
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