Crystal structure of tris(4,4′-dimethoxy-2,2′-bipyridine)iron (II) bis (hexafluorophosphate) , solvate with N-methyl-2-pyrrolidone

Add time:07/12/2019    Source:sciencedirect.com

The crystal study of tris(4,4′-dimethoxy-2,2′-bipyridine)iron(II)bis(hexafluorophosphate) (crystal solvate with N-methyl-2-pyrrolidone) was performed at 295 K. The crystals are triclinic, a = 11.721(4), b = 12.864(6), c =15.664(7) Å, α = 77.14(4),β = 85.03 (3), γ = 81.76(3)°, space group P1, Z = 2, R = 0.0679 for 4694 reflections. The average FeN distances of 1.967 Å agrees well with those observed in other tris(2,2-bipyridine) complexes of hexacoordinated Fe(II) with a large low-spin fraction. A small difference of the individual FeN distances in the dication (which are shorter for one of the bipyridine ligands) may be explained by crystal packing effects. A very specific orientation of dications [Fe(DMO-bpy)3]2+ in the crystal is worthy of note (the vector of one of the moieties N…(Fe)…N of the dication coincides in fact with direction [011] of the crystal). The possible interaction of the trication of tris(4,4′-dimethoxy-2,2′-bipyridine)iron (III) with the active site of glucose oxidase (i.e. the metal complex acting as an oxidant/electron-transfer mediator) is discussed.

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