A mixed-valence organic-inorganic hybrid compound, (H3DETA) [Fe3(C2O4)2 (HPO4)2(PO4)] (DETA = diethylenetriamine), has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, magnetic susceptibility, 57Fe powder absorption Mössbauer spectroscopy, and electric field gradient calculations. It crystallizes in the triclinic space group P1 (No. 2) with a = 9.6367(7) Å, b = 10.1760(7) Å, c = 12.6164(9) Å, α = 86.302(1)°, β = 68.880(1)°, γ = 61.800(1)°, and Z = 2 with R1 = 0.0397. The structure can be described as layers of trigonal bipyramidal FeIIO5, octahedral FeIIIO6, tetrahedral PO4 moieties, and monobidentate oxalate ligands, which are pillared through bisbidentate oxalate ligands to form a 3-D framework structure. The title compound is not only the first oxalatophosphate that contains two types of oxalate ligands but also the first example of mixed-valence transition metal oxalatophosphate.
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Ducouret, A. (Contributor), Lii, K. (Contributor), Nguyen, N. (Contributor), Wang, S. (Contributor) & Jiang, Y. (Contributor), The Cambridge Structural Database, 1 Jan 2003