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A high-precision diffraction study at 15 K using synchrotron radiation and theoretical calculation of a heteromolecular crystal ammonium hydrooxalate oxalic acid dihydrate NH4+·C2HO4−·C2H2O4·2H2O (1) were carried out. The calculation was performed with the Kohn-Sham method taking into account periodic boundary conditions. The joint experimental and theoretical study allowed one to locate positions...
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