A polymeric zirconium (IV) oxalate complex K2[Zr(C2O4)2(μ-C2O4)] · 2H2O: Structural elucidation, stereo-chemical and Hirshfeld surface analysis.

Within the scope of a systematic study of eight-coordinate Zr IV chelates, a mixed potassium trioxalatozirconate (IV) complex, namely K 2 [Zr(C 2 O 4 ) 2 (μ-C 2 O 4 )] · 2H 2 O, has been synthesized. Its structure framework represents a zirconium (IV) carboxylate polymer displaying interesting polymeric zigzag chains of ZrO 8 units running parallel to the c axis. Stereo-chemical study of polyhedral eight-vertex structure revealed that in ZrO 8 the average in the coordination polyhedral is a Biaugmented trigonal prism J50 chelate. Hirshfeld surface and fingerprint plot analysis revealed that O · · · O intermolecular interactions are the most important ones accountable for the reinforcement of the supramolecular assembly of the coordination polymers. The thermal decomposition has been studied by coupled ATD-TGA and supplemented by infrared and Raman emission spectroscopy as a function of temperature which nicely corroborated the crystal structure and suggest a deformation in the Zr–O chelate with departure of water molecules. [ABSTRACT FROM AUTHOR]