Crystal structure of tetrabutylammonium [bis(1,3-dithiole-2-thione-4,5-dithiolato) bismuthate(1-)], [NBu4][Bi(dmit)(2)]

N M Comerlato, W T A Harrison, R A Howie, A C Silvino, J L Wardell, S M S V Wardell

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The crystal structure of ionic [NBu4][Bi(dmit)(2)] (5: Q = NBu4), obtained from BiBr3 and [NBu4](2)[Zn(dmit)(2)], has been determined. The bismuth atoms are six coordinate, as a consequence of two inter-anion Bi-S contacts with. two neighbouring anions. In addition to the four intra-anion Bi-S bonds to the two thiolato S atoms of the dmit ligands [Bi-S between 2.5872(14) and 2.8082(13) Angstrom: the inter-anion bonds involve thione S atoms [Bi-S(10)(i) = 3.2548(11) and Bi-S(10)(ii) 3.4628(13) Angstrom]. Excluding consideration of any lone pair effect, the Bi atoms have very distorted octahedral geometries. The anions form centrosymmetric pairs of chains with the shortest Bi-Bi distance of 4.180 Angstrom being between the pairs of chains; overlapping parallel dmit Ligands, within the pairs of chains, are separated by a perpendicular distance of 3.477(2) Angstrom, with the dmit centroid-dmit centroid separation of 3.529 Angstrom, ideal for pi-pi interaction. (C) 2000 Elsevier Science S.A. All rights reserved.

Original languageEnglish
Pages (from-to)572-574
Number of pages3
JournalInorganic Chemistry Communications
Publication statusPublished - 2000


  • crystal structure
  • bismuth complex
  • dmit complex
  • pi-pi interactions
  • DMIT


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