Hexaaquanickel(II) bis[2‐carboxylato‐2‐(isothiouronium‐S‐ylmethyl)propane‐1,3‐diyl phosphate] hexahydrate

In the title complex, Ni(H₂O)₆](C₆H₁₀N₂O₆PS)₂·6H₂O, the asymmetric unit consists of one‐half of an Ni atom (which lies on an inversion centre) with three coordinated water molecules, one complete 2‐carboxylato‐2‐(isothiouronium‐S‐ylmethyl)propane‐1,3‐diyl phosphate anion and three noncoordinated water molecules. The hexaaquanickel(II) cations have distorted octahedral coordination and are connected via water chains to form two‐dimensional supramolecular networks parallel to the ab plane. The phosphate ester anion is linked via N—H...O and O—H...O hydrogen bonds, thus creating various ring, dimer and chain hydrogen‐bonding patterns, and building up a second two‐dimensional supramolecular network parallel to the ab plane. The crystal structure is further stabilized by an intra‐ and interlayer hydrogen‐bond network. This work illustrates that a carboxylate with a caged phosphate ester can open its ring in the presence of dichloridotetrakis(thiourea)nickel, and the resulting polyfunctional anion can be used for constructing a complex hydrogen‐bonding scheme.