6533b7ddfe1ef96bd12741cc

RESEARCH PRODUCT

Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]

Ines BennourMatti HaukkaFrancesc TeixidorClara ViñasAhlem Kabadou

subject

crystals [structures]metallabis(dicarbollide)dihydrogen bondskemiaröntgentekniikkameta-carboraneHirshfeld studyröntgenkristallografia

description

This work investigates the meta-ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7-closo-C2B9H11)2]− anions and disordered [N(CH3)4]+ cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions. peerReviewed

http://urn.fi/URN:NBN:fi:jyu-201708103444