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Selected crystal data for PTA-zwitterions (CCDC 634822, C 9H20N3O4P (including 2 molecules of water, M, 265.25, monoclinic, space group P21/n, a, 10.025(2, b, 10.187(2, c, 12.842(2) Å, β, 112.001(3)°, F(000, 568, Z, 4, ρcald, 1.449 g cm-3, U= 1216.0(4) Å3, T, 294(2) K, λMo-Kα, 0.7107 Å, 6688 reflections collected in the range of 2.22 ≤ θ ≤ 26.35°, R int, 0.0295. The structure was solved by different methods and refinement, based on F2, was by full-matrix least-squares to R1, 0.0526, wR2, 0.1056. The supplementary crystallographic data for this compound can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/ data request/cif0
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