Articles
| Open Access | STRUCTURAL FEATURES AND HIRSHFELD SURFACE ANALYSIS OF A THREE-DIMENSIONAL CO(II)-FORMATE FRAMEWORK
K.B. Kholturaev , Department of Chemistry, Termez State University, 43 Barkamol Avlod Street, Termez-190111, Kh.Kh. Turaev , Department of Chemistry, Termez State University, 43 Barkamol Avlod Street, Termez-190111, A.B. Ibragimov , Institute of General and Inorganic Chemistry, Uzbekistan Academy of Sciences M.Ulugbek Str., Z.E.Djumayeva , Department of Chemistry, Termez State University, 43 Barkamol Avlod Street, Termez-190111, G.Kh. Toirova , Department of Chemistry, Termez State University, 43 Barkamol Avlod Street, Termez-190111, U.U. Ruziev , Department of Chemistry, Termez State University, 43 Barkamol Avlod Street, Termez-190111,Abstract
A novel cobalt(II)-based coordination polymer, formulated as [Co(HCO2)3]ₙ·n(C3)2N, was successfully synthesized and comprehensively characterized by single-crystal X-ray diffraction, polyhedral geometry analysis, and Hirshfeld surface analysis. Single-crystal X-ray diffraction reveals that the compound crystallizes in the trigonal crystal system with the centrosymmetric space group R-3c, forming a highly symmetric three-dimensional coordination framework in which each Co(II) center exhibits an almost ideal octahedral coordination geometry. The cobalt ions are coordinated exclusively by six oxygen atoms from six symmetry-related μ₂-bridging formate ligands, with all Co-O bond lengths being crystallographically equivalent, resulting in infinite catena-type chains that interconnect into an extended polymeric network. Polyhedral analysis confirms the regularity of the CoO6 octahedra, with an effective coordination number of 6.000, a zero distortion index, near-unity quadratic elongation, and minimal bond-angle variance. Collectively, these results highlight the highly symmetric coordination environment, robust polymeric architecture, and well-defined intermolecular interactions of the title cobalt(II) formate coordination polymer.
Keywords
coordination polymer, crystal structure, Hirshfeld surface
References
He C., Liu D., Lin W. Nanomedicine applications of hybrid nanomaterials built from metal-ligand coordination bonds: nanoscale metal-organic frameworks and nanoscale coordination polymers //Chemical reviews. - 2015. - Т. 115. - №. 19. - С. 11079-11108.
Vasile Scaeteanu G. et al. An overview of various applications of cadmium carboxylate coordination polymers //Molecules. - 2024. - Т. 29. - №. 16. - С. 3874.
Vasile Scaeteanu G. et al. Zinc (II) carboxylate coordination polymers with versatile applications //Molecules. - 2023. - Т. 28. - №. 3. - С. 1132.
Rubio-Sepúlveda F. et al. Magneto-Structural Correlations in Coordination Polymers Based on Formate Ligand and Transition Metal Cations //Inorganic Chemistry. - 2025. - Т. 64. - №. 19. - С. 9758-9771.
Bovill S. M., Dixey R. J. C., Saines P. J. Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties //CrystEngComm. - 2017. - Т. 19. - №. 13. - С. 1831-1838.
Feng G., Gui D., Li W. Structural and chemical bonding dependence of mechanical properties in a family of metal-formate coordination polymers //Crystal Growth & Design. - 2018. - Т. 18. - №. 9. - С. 4890-4895.
Liu B. et al. A new series of chiral metal formate frameworks of [HONH3][MII (HCOO) 3](M= Mn, Co, Ni, Zn, and Mg): synthesis, structures, and properties //Inorganic Chemistry. - 2012. - Т. 51. - №. 24. - С. 13363-13372.
Haldar R., Maji T. K. Metal-organic frameworks (MOFs) based on mixed linker systems: structural diversities towards functional materials //CrystEngComm. - 2013. - Т. 15. - №. 45. - С. 9276-9295.
Shehzad K. et al. Three-dimensional macro-structures of two-dimensional nanomaterials //Chemical Society Reviews. - 2016. - Т. 45. - №. 20. - С. 5541-5588.
Vit V. Functional hybrid organic-inorganic formate-based frameworks. - 2022.
Wan Y. et al. Cobalt (II) coordination polymers with single-ion magnet property //CrystEngComm. - 2024. - Т. 26. - №. 28. - С. 3771-3782.
Zhao J. P. et al. Tuning the structure and magnetism of heterometallic sodium (1+)-cobalt (2+) formate coordination polymers by varying the metal ratio and solvents //Inorganic Chemistry. - 2013. - Т. 52. - №. 6. - С. 2862-2869.
Zong D., Gao E. Q., Zhang D. Roles of Water Molecules in the Structures and Magnetic Properties of Coordination Polymers with a Dicarboxylate Ligand //Materials. - 2025. - Т. 18. - №. 5. - С. 1089.
Leong W. L., Vittal J. J. One-dimensional coordination polymers: complexity and diversity in structures, properties, and applications //Chemical reviews. - 2011. - Т. 111. - №. 2. - С. 688-764.
Nurdin L. et al. Oxygen-oxygen bond cleavage and formation in Co (II)-mediated stoichiometric O2 reduction via the potential intermediacy of a Co (IV) oxyl radical //Journal of the American Chemical Society. - 2018. - Т. 140. - №. 47. - С. 16094-16105.
Ibragimov, A. B., Ashurov, J. M., Ibragimov, B.T., Eshimbetov, A. G., Аzimova, S. S., Tilyakov,Z. G., & Dusmatov, A. F. (2023). Synthesis, structure, Hirshfeld surface analysis of the new copper complex of 3, 5-dinitrobenzoic acid and docking study of its metal complexes bioactivity. Journal of Molecular Structure, 136105.
Sadullayevich N. A. et al. Coordination polymer of Co (II) with 5-sulfosalysilic acid: synthesis, structure, Hirshfeld surface analysis, theoretical calculations and adsorption properties //Polyhedron. - 2025. - С. 117674.
Suyunov J.R., Torambetov B., Turaev Kh., Kadirova Sh., Alimnazarov B., Ashurov J., Synthesis, crystal structure and Hirshfeld surface analysis of a cadmium complex of naphthalene-1,5-disulfonate and o-phenylenediamine // Crystallographic communication. Acta Cryst. E79 (2023). Acta Cryst. E79, 26.11.2023 ISSN: 2056-9890.
Article Statistics
Downloads
Copyright License
This work is licensed under a Creative Commons Attribution 4.0 International License.