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Crystal Structure of Tetra- and Pentasodium Salts of Nitrilotris(methylenephosphonic Acid)

Н. В. СомовLobachevsky National Research University, Nizhny Novgorod, 603950, RussiaФ. Ф. ЧаусовInstitute of Mechanics, Ural Branch of Russian Academy of Sciences, Izhevsk, 426067, RussiaР. М. ЗакироваUdmurt State University, Izhevsk, 426034, RussiaВ. Г. ПетровInstitute of Mechanics, Ural Branch of Russian Academy of Sciences, Izhevsk, 426067, RussiaМ. А. ШумиловаInstitute of Mechanics, Ural Branch of Russian Academy of Sciences, Izhevsk, 426067, Russia
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Tetra- and pentasodium salts of nitrilotris(methylenephosphonic acid) N(CH2PO3)3H6 (NTP) have been studied by single-crystal X-ray diffraction and spectroscopy. [Na8(H2O)12{NH(CH2PO3)3H}2] · H2O crystallizes in triclinic system, space group P1̅, Z = 1, a = 7.1515(2) Å, b = 11.1590(3) Å, c = 12.0583(3) Å; α = 92.077(2)°, β = 106.145(2)°, γ = 5.628(2)°, CCDC No. 1432091. The crystal structure comprises two-dimensional layers lying along planes (011̅), where dimeric molecules are linked by bridges each comprising four Na hydration octahedra. The [Na5(H2O)11{NH(CH2PO3)3}] · 2H2O crystals are monoclinic, space group P21/n, Z = 4, a = 6.3024(2) Å, b = 21.5639(7) Å, c = 18.1608(6) Å; β = 91.261(3)°, CCDC No. 1497161. The crystal packing comprises alternating layers in planes [020] made of two-dimensional nets of Na hydration polyhedra, and columns of Na hydration octahedra lying in planes [040], with acid moieties in between.

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