Supramolecular self-assembled ruthenium-polypyridyl framework encapsulating discrete water cluster

The tecton I [4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6H-irnidazo-[4,5 f]-[1,10]-phenanthroline-6,13-dione] with inherent hydrogen bond acceptor (O atoms) and donor (N-H atoms) groups reacts with cis-Ru(bpy)(2)Cl-2 (bpy = 2,2'-bipyridine) in a 1:1 molar ratio to form a monomeric suprarnolecular synthon [Ru(bpy)(2)(I)]Cl-2 (1), which generates a 3-D metal-organic framework (MOF) by a self-assembly process. The crystal structure reveals an intricate hydrogen-bonding network in which two symmetry-related molecules are connected through N-H---O interactions along with the chlorine anions (C-H---Cl, C-H---O, N-H---Cl. and N-H---O) resulting in the formation of channels. Water clusters buttressed by chlorine anions and fortified by N-H---O and C-H---O interactions are encapsulated within these channels. The reversibile encapsulation of lattice water molecules and the corresponding effect on the overall structure is probed by IR and in situ high-temperature X-ray powder diffraction studies.