Crystal structure, physical study and Hirshfeld surface analysis of (C.sub.9./sub.H.sub.26./sub.N.sub.4./sub.) [SnCl.sub.6./sub.]Cl.sub.2./sub.•2H.sub.2./sub.O

0537772 - FZÚ 2021 RIV NL eng J - Journal Article
El Bali, B. - Lachkar, M. - Direm, A. - Dušek, Michal - Amores, M.
Crystal structure, physical study and Hirshfeld surface analysis of (C₉H₂₆N₄) [SnCl₆]Cl₂•2H₂O.
Inorganic Chemistry Communications. Roč. 118, Aug (2020), s. 1-13, č. článku 107981. ISSN 1387-7003. E-ISSN 1879-0259
R&D Projects: GA ČR(CZ) GA18-10438S; GA MŠMT(CZ) LO1603
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : tin-tetraazacyclotridecane * crystal structure * Raman * Hirshfeld surface analysis * battery application
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.495, year: 2020
Method of publishing: Limited access
https://doi.org/10.1016/j.inoche.2020.107981

The (C9H26N4) [SnCl6]Cl2•2H2O has been synthesized in solution and its structure confirmed by single-crystal X-ray diffraction. The 3D framework of the title compound is made of free molecules 1,4,7,10-tetraazacyclotridecane, [SnCl6], Cl atoms and water molecules, interacting through an intricate network of hydrogen-bonds and H…Cl interactions. The 1,4,7,10-tetraazacyclotridecane moiety is also confirmed by Raman spectroscopy. The Hirshfeld surface analysis of (C9H26N4) [SnCl6]Cl2•2H2O is elucidated. Preliminary investigations of the electrochemical performance of the title compound as an active ma terial in a Li-ion battery have also been carried out.
Permanent Link: http://hdl.handle.net/11104/0315613