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μ3-Acetato-μ2-acetato-(di-methyl-form-amide)-penta-kis-(μ-N,2-dioxido-benzene-1-carboximidato)penta-kis-(1-methyl-1H-imidazole)-penta-manganese(III)manganese(II)-diethyl Ether-Di-Methyl-Formamide-Methanol-Water (1/1/1/1/0.49)

μ3-Acetato-μ2-acetato-(di-methyl-form-amide)-penta-kis-(μ-N,2-dioxido-benzene-1-carboximidato)penta-kis-(1-methyl-1H-imidazole)-penta-manganese(III)manganese(II)-diethyl Ether-Di-Methyl-Formamide-Methanol-Water (1/1/1/1/0.49)

Benjamin R Tigyer, Matthias Zeller, Curtis M Zaleski

Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 15;69(Pt 7):m393-4.

PMID: 24046568

Abstract:

The title compound, [Mn6(C7H4NO3)5(CH3CO2)2(C4H6N2)4.62(C3H7NO)1.38]·(C2H5)2O·C3H7NO·CH3OH·0.49H2O or Mn(II)(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, shi(3-) is salicyl-hydroximate, Me-Im is 1-methyl-imidazole, DMF is N,N-di-methyl-formamide, and MeOH is methanol), is comprised of five Mn(III) ions in the metallacrown ring and an Mn(II) ion which is encapsulated in the central cavity. Four of the ring Mn(III) ions are six-coordinate with distorted octa-hedral geometries. Two of these Mn(III) ions have a planar configuration, while the other two Mn(III) have Λ absolute stereoconfiguration. The fifth Mn(III) is five-coordinated with distorted square-pyramidal geometry. Four of the ring Mn(III) ions each bind one 1-methyl-imidazole, while the final ring Mn(III) ion binds a DMF solvent mol-ecule in an axial position and located in a trans position is either a Me-Im or a DMF mol-ecule. The occupancy ratio of Me-Im to DMF is 0.62 (2) to 0.38 (2). The central Mn(II) is seven-coordinate with a geometry best described as distorted face-capped trigonal-prismatic. DMF, diethyl ether, MeOH, and water mol-ecules are located in the inter-stitial voids between the metallacrown mol-ecules. The methanol mol-ecule is positionally disordered [0.51 (1):0.49 (1)] and associated with a partially occupied water mol-ecule [0.49 (1)]. This disorder is also associated with the positional disorder of the diethyl ether mol-ecule [0.51 (1):0.49 (1)].

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