The trisodium monohydrogen-nitrilo-tris-methylenephosphonato-hydroxylaminato-nitrosyl-molybdate octahydrate Na3[Mo(NO)(NH2O){N(CH2PO3)3H}] · 8H2O: Synthesis, structure, and nature of coordination bond of transition metal with non-innocent ligand

The sodium salt of heteroleptic molybdenum complex with nitrilotris(methylenephosphonic) acid (NTP), hydroxylamine, and nitrogen(II) oxide Na3[Mo(NO)(NH2O){N(CH2PO3)3H}]· 8H2O was synthesized, isolated, and studied (space group P21/c, Z = 4, a = 9.7385(2), b = 10.2542(2), c =21.6517(3) Å, β = 93.7060(10)°). The nitrilotris(methylenephosphonate) ion is monoprotonated at the PO3 group. The nitrogen atom is deprotonated and coordinates the Mo atom; the NTP denticity is 4. Hydroxylamine is ionized according to the acid type and is bidentate. The Mo–NO group is almost linear (176.31(19)° angle; Mo–N, 1.7599(13) Å; ν(N–O), 1756 cm–1), the electron density distribution attests to the formation of an Mo–N π-bond. The Mo coordination polyhedron is a distorted pentagonal bipyramid. Two Na ions are coordinated at the vertices of a distorted octahedron and the third one forms a distorted tetrahedral geometry. (CIF file CCDC no. 1543700.)