Crystal structure, NMR and catalytic properties of a bis-peroxovanadium [NH₄][VO(O₂)₂(mpa)]·H₂O

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• Crystal data for 1: C7H14N3O8V, Mr = 319.15 g⋅mol−1, monoclinic space group P2(1)/c, a = 7.5176(3) Å, b = 14.1226(6) Å, c = 11.8219(5) Å, β = 93.619(1)°, V = 1252.61 (9) Å3, Z = 4, Dc = 1.692 g⋅m−3, μ = 0.833 mm−1, GOF = 1.064, R1 = 0.0314, wR2 = 0.0859 [I > 2σ(I)] and R1 = 0.0369, wR2 = 0.0918 (all data). Determination of the unit cell and data collection for 1 was performed on a Bruker Apex-II CCD diffractometer with Mo Kα monochromated radiation (λ = 0.71073 Å) at 296(2) K. The converted data was integrated and reduced using SAINT with absorption and scaling correction being undertaken with the program SADABS. The structure was solved by the direct method and all non-hydrogen atoms were refined by full-matrix least-square procedure on F2 using the program SHELXL-2014 in conjunction with the Olex2 graphical user interface [23]. Anisotropic thermal parameters were assigned to all non-hydrogen atoms. Positions of H atoms attached to C and N atoms were geometrically added with the riding model.
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