Crystal structure and Hirshfeld surface analysis of poly[[tetra-aqua-(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca-aza-tetra-cyclo-[8.8.4.13,17.18,12]tetra-cosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetra-hydrate]

Maksym O Plutenko; Sergiu Shova; Vadim A Pavlenko; Irina A Golenya; Igor O Fritsky

doi:10.1107/S2056989023008587

Crystal structure and Hirshfeld surface analysis of poly[[tetra-aqua-(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca-aza-tetra-cyclo-[8.8.4.1^3,17.1^8,12]tetra-cosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetra-hydrate]

Acta Crystallogr E Crystallogr Commun. 2023 Oct 19;79(Pt 11):1059-1062. doi: 10.1107/S2056989023008587. eCollection 2023 Nov 1.

Authors

Maksym O Plutenko¹, Sergiu Shova², Vadim A Pavlenko¹, Irina A Golenya¹, Igor O Fritsky^{1

3}

Affiliations

¹ Department of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, Ukraine.
² PetruPoni Institute of Macromolecular Chemistry, Aleea Gr. Ghica Voda, 41 A, Iasi 700487, Romania.
³ Innovation development center ABN, Pirogov str.2/37, 01030 Kiev, Ukraine.

Abstract

The title compound, [FeLi₂(C₁₂H₁₂N₁₂O₆)(H₂O)₄]·4H₂O, consists of iron complex anions, lithium cations and water mol-ecules. The complex anion shows a clathrochelate topology. The coordination geometry of the Fe^IV centre is inter-mediate between a trigonal prism and a trigonal anti-prism. In the crystal, the complex anions are connected through two Li cations into dimers, which are connected by Li-O bonds, forming infinite chains along the b-axis direction.

Keywords: Hirshfeld surface analysis; clathrochelate; crystal structure; hydrazide-based ligand; iron(IV) complex; macrocyclic ligand; template reaction.

Grants and funding

This work was supported by the Ministry of Education and Science of Ukraine (grants No. 22BF037–03 and 22BF037–09 at Taras Shevchenko National University of Kyiv). This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie grant agreement No. 778245.