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

Research output: Contribution to journalArticle

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Abstract

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
Volume3
Publication statusPublished - 2000

Keywords

  • crystal structure
  • bismuth complex
  • dmit complex
  • pi-pi interactions
  • MOLECULAR SUPERCONDUCTOR
  • METAL-COMPLEXES
  • DMIT

Cite this

Crystal structure of tetrabutylammonium [bis(1,3-dithiole-2-thione-4,5-dithiolato) bismuthate(1-)], [NBu4][Bi(dmit)(2)]. / Comerlato, N M ; Harrison, W T A ; Howie, R A ; Silvino, A C ; Wardell, J L ; Wardell, S M S V .

In: Inorganic Chemistry Communications, Vol. 3, 2000, p. 572-574.

Research output: Contribution to journalArticle

Comerlato, N M ; Harrison, W T A ; Howie, R A ; Silvino, A C ; Wardell, J L ; Wardell, S M S V . / Crystal structure of tetrabutylammonium [bis(1,3-dithiole-2-thione-4,5-dithiolato) bismuthate(1-)], [NBu4][Bi(dmit)(2)]. In: Inorganic Chemistry Communications. 2000 ; Vol. 3. pp. 572-574.
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abstract = "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.",
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T1 - Crystal structure of tetrabutylammonium [bis(1,3-dithiole-2-thione-4,5-dithiolato) bismuthate(1-)], [NBu4][Bi(dmit)(2)]

AU - Comerlato, N M

AU - Harrison, W T A

AU - Howie, R A

AU - Silvino, A C

AU - Wardell, J L

AU - Wardell, S M S V

PY - 2000

Y1 - 2000

N2 - 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.

AB - 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.

KW - crystal structure

KW - bismuth complex

KW - dmit complex

KW - pi-pi interactions

KW - MOLECULAR SUPERCONDUCTOR

KW - METAL-COMPLEXES

KW - DMIT

M3 - Article

VL - 3

SP - 572

EP - 574

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

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