In recent days, nanohybrid metal organic frameworks (MOF) have been considered as next generation catalysts due to their unique features like large surface to volume ratio, tailorable geometry, uniform pore sizes and homogeneous distribution of active sites. In this report, we address the biguanidine modifed 3D Zr-centred MOF UiO-66-NH2 following a post synthetic modifcation approach. Utilizing the excellent chelating ability of biguanidine, Pd ions are immobilized over the host matrix MOF. The as-synthesized material was physicochemically characterized using a broad range of analytical techniques like FT-IR, electron microscopy, EDS, elemental mapping, XRD and ICP-OES. Subsequently the material has been catalytically employed in the classical Suzuki–Miyaura coupling towards the synthesis of diverse biphenyl derivatives at sustainable conditions. There are very few reports on the covalently modifed MOFs towards the organic coupling reactions. The catalyst has been isolated by centrifugation and recycled in 9 consecutive runs with almost insignifcant leaching and minute decrease in reactivity.