title: Di-μ-acetato-bis-(dimethyl-formamide)-penta-kis-(μ-N,2-dioxidobenzene-1-car-boximidato)tetra-kis-(1-ethyl-imidazole)-penta-manganese(III)-manganese(II)-diethyl ether-dimethyl-foramide-methanol-water (1/1/1/1/0.12).
abstract: The title compound [Mn(6)(C(7)H(4)NO(3))(5)(CH(3)CO(2))(2)(C(5)H(8)N(2))(4)(C(3)H(7)NO)(2)]·(C(2)H(5))(2)O·C(3)H(7)NO·CH(3)OH·0.12H(2)O, abbreviated as Mn(II)(OAc)(2)[15-MC(MnIII(N)shi)-5](EtIm)4(DMF)2·diethyl ether·DMF·MeOH·0.12H(2)O (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 ΔΛΔPP pattern, with P representing planar. The four 1-ethyl-imidazole ligands are bound to four different Mn(III) ions. A diethyl ether solvent mol-ecule was found to be disordered over two mutually exclusive sites with an occupancy ratio of 0.568 (7):0.432 (7). A methanol solvent mol-ecule was found to be disordered over two mutually exclusive sites by being hydrogen bonded either to a dimethyl-formamide solvent mol-ecule (major occupancy component) or to an O atom of the main mol-ecule (minor occupancy component). The occupancy ratio refined to 0.678 (11):0.322 (11). Associated with the minor component is a partially occupied water mol-ecule [total occupancy 0.124 (15)].
authors.forename: Benjamin R
authors.initials: BR
authors.lastname: Tigyer
authors.forename: Matthias
authors.initials: M
authors.lastname: Zeller
authors.forename: Curtis M
authors.initials: CM
authors.lastname: Zaleski
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