Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

metal-organic compounds

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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