4.5 Article

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

Journal

JOURNAL OF ORGANOMETALLIC CHEMISTRY
Volume 846, Issue -, Pages 74-80

Publisher

ELSEVIER SCIENCE SA
DOI: 10.1016/j.jorganchem.2017.05.047

Keywords

Meta-carborane; Metallabis(dicarbollide); Hirshfeld study; Dihydrogen bonds

Funding

  1. Spanish Ministerio de Economia y Competitividad [CTQ2013-44670-R]
  2. Generalitat de Catalunya [2014/SGR/149]

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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 derWaals 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 center dot center dot center dot H interactions. (C) 2017 Elsevier B. V. All rights reserved.

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