Synthesis and crystal structure of bis[trans-diaqua(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)] trans-(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)bis[4,4′,4′′-(1,3,5-trimethylbenzene-2,4,6-triyl)tris(hydrogen phenylphosphonato-κO)]nickel(II) decahydrate

Abstract

The components of the title compound, [Ni(C10H24N4)(H2O)2]2[Ni(C10H24N4)(C27H24O9P3)2]·10H2O are two centrosymmetric [Ni(C10H24N4)(H2O)2]2+ dications, a centrosymmetric [Ni(C10H24N4)(C27H24O9P3)2]4− tetra-anion and five crystallographically unique water molecules of crystallization. All of the nickel ions are coordinated by the four secondary N atoms of the macrocyclic cyclam ligands, which adopt the most energetically stable trans-III conformation, and the mutually trans O atoms of either water molecules in the cations or the phosphonate groups in the anion in a tetragonally distorted NiN4O2 octahedral coordination geometry. Strong O—H...O hydrogen bonds between the protonated and the non-protonated phosphonate O atoms of neighboring anions result in the formation of layers oriented parallel to the bc plane, which are linked into a three-dimensional network by virtue of numerous N—H...O and O—H...O hydrogen bonds arising from the sec-NH groups of the macrocycles, phosphonate O atoms and coordinated and non-coordinated water molecules.

Keywords

• crystal structure
• cyclam
• nickel
• triphosphonic acid