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Acta Cryst. (2013). E69, m393-m394  [ doi:10.1107/S1600536813015857 ]

[mu]3-Acetato-[mu]2-acetato-(dimethylformamide)pentakis([mu]-N,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1H-imidazole)pentamanganese(III)manganese(II)-diethyl ether-dimethylformamide-methanol-water (1/1/1/1/0.49)

B. R. Tigyer, M. Zeller and C. M. Zaleski

Abstract: The title compound, [Mn6(C7H4NO3)5(CH3CO2)2(C4H6N2)4.62(C3H7NO)1.38]·(C2H5)2O·C3H7NO·CH3OH·0.49H2O or MnII(OAc)2[15-MCMn(III)N(shi)-5](Me-Im)4.62(DMF)1.38·diethyl ether·DMF·MeOH·0.49H2O (where MC is metallacrown, -OAc is acetate, shi3- is salicylhydroximate, Me-Im is 1-methylimidazole, DMF is N,N-dimethylformamide, and MeOH is methanol), is comprised of five MnIII ions in the metallacrown ring and an MnII ion which is encapsulated in the central cavity. Four of the ring MnIII ions are six-coordinate with distorted octahedral geometries. Two of these MnIII ions have a planar configuration, while the other two MnIII have [Lambda] absolute stereoconfiguration. The fifth MnIII is five-coordinated with distorted square-pyramidal geometry. Four of the ring MnIII ions each bind one 1-methylimidazole, while the final ring MnIII ion binds a DMF solvent molecule in an axial position and located in a trans position is either a Me-Im or a DMF molecule. The occupancy ratio of Me-Im to DMF is 0.62 (2) to 0.38 (2). The central MnII is seven-coordinate with a geometry best described as distorted face-capped trigonal-prismatic. DMF, diethyl ether, MeOH, and water molecules are located in the interstitial voids between the metallacrown molecules. The methanol molecule is positionally disordered [0.51 (1):0.49 (1)] and associated with a partially occupied water molecule [0.49 (1)]. This disorder is also associated with the positional disorder of the diethyl ether molecule [0.51 (1):0.49 (1)].


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