Crystal structures of three [bis(1,3-dithiole-2-thione-4,5-dithiolato)zincate](2-) salts: [Q](2)[Zn(dmit)(2)] (Q=1,4-Me-2-pyridinium or NEt4) and [PPh4](2)[Zn(dmit)(2)] center dot DMSO. Comparison of the dianion packing arrangements in [Q](2)[Zn(dmit)(2)]

W T A Harrison, R A Howie, J L Wardell, S M S V Wardell, N M Comerlato, L A S Costa, A C Silvino, A I de Oliveira, R M Silva

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

[Zn(dmit)(2)](2-) dianions in [Q](2)[Zn(dmit)(2)] complexes (2: Q=1,4-Me-2-pyridinium (C7H10N) or NEt4), and [PPh4](2)-[Zn(dmit)(2)] . DMSO ((2: Q = PPh4) . DMSO) have distorted tetrahedral geometries, as a result of the 94.49(3) to 95.27(3)degrees range of the bite angle of the dmit ligands; H-2-dmit= 4,5-dimercapto-1,3-dithiole-2-thione, H2C3S5. The Zn-S bond lengths are in the range from 2.3285(8) to 2.3520(9) Angstrom. In (2: Q = C7H10N) and (2: Q = NEt4),both the cations and the dianions are found in alternating layers, which form columns and sheets. Whereas in (2: Q = C7H10N), there are no S ... S contacts less than the sum of the van der Waals radii, 3.70 Angstrom, S ... S contacts at 3.5792( 13) and 3.6605 (12) Angstrom, within dianion layers, are found in (2: Q = NEt4). In ( (2: Q = PPh4) . DMSO), the steric bulk of the [PPh4] (+) cations is such that the dianions cannot be distributed in well-defined sheets: no S ... S contacts less than 4.0 Angstrom are found in ((2: Q = PPh4) DMSO). The structures are compared with those reported for other [Q](2)[Zn(dmit)(2)] compounds. (C) 2000 Elsevier Science Ltd All rights reserved.

Original languageEnglish
Pages (from-to)821-827
Number of pages7
JournalPolyhedron
Volume19
Publication statusPublished - 2000

Keywords

  • 1,3-dithiole-2-thione-4,5-dithiolates
  • dmit complexes
  • zinc dmit compounds
  • zincates
  • 1,3-DITHIOLE-2-THIONE-4,5-DITHIOLATE DMIT
  • CHEMISTRY
  • METALS

Cite this

Crystal structures of three [bis(1,3-dithiole-2-thione-4,5-dithiolato)zincate](2-) salts: [Q](2)[Zn(dmit)(2)] (Q=1,4-Me-2-pyridinium or NEt4) and [PPh4](2)[Zn(dmit)(2)] center dot DMSO. Comparison of the dianion packing arrangements in [Q](2)[Zn(dmit)(2)]. / Harrison, W T A ; Howie, R A ; Wardell, J L ; Wardell, S M S V ; Comerlato, N M ; Costa, L A S ; Silvino, A C ; de Oliveira, A I ; Silva, R M .

In: Polyhedron, Vol. 19, 2000, p. 821-827.

Research output: Contribution to journalArticle

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TY - JOUR

T1 - Crystal structures of three [bis(1,3-dithiole-2-thione-4,5-dithiolato)zincate](2-) salts: [Q](2)[Zn(dmit)(2)] (Q=1,4-Me-2-pyridinium or NEt4) and [PPh4](2)[Zn(dmit)(2)] center dot DMSO. Comparison of the dianion packing arrangements in [Q](2)[Zn(dmit)(2)]

AU - Harrison, W T A

AU - Howie, R A

AU - Wardell, J L

AU - Wardell, S M S V

AU - Comerlato, N M

AU - Costa, L A S

AU - Silvino, A C

AU - de Oliveira, A I

AU - Silva, R M

PY - 2000

Y1 - 2000

N2 - [Zn(dmit)(2)](2-) dianions in [Q](2)[Zn(dmit)(2)] complexes (2: Q=1,4-Me-2-pyridinium (C7H10N) or NEt4), and [PPh4](2)-[Zn(dmit)(2)] . DMSO ((2: Q = PPh4) . DMSO) have distorted tetrahedral geometries, as a result of the 94.49(3) to 95.27(3)degrees range of the bite angle of the dmit ligands; H-2-dmit= 4,5-dimercapto-1,3-dithiole-2-thione, H2C3S5. The Zn-S bond lengths are in the range from 2.3285(8) to 2.3520(9) Angstrom. In (2: Q = C7H10N) and (2: Q = NEt4),both the cations and the dianions are found in alternating layers, which form columns and sheets. Whereas in (2: Q = C7H10N), there are no S ... S contacts less than the sum of the van der Waals radii, 3.70 Angstrom, S ... S contacts at 3.5792( 13) and 3.6605 (12) Angstrom, within dianion layers, are found in (2: Q = NEt4). In ( (2: Q = PPh4) . DMSO), the steric bulk of the [PPh4] (+) cations is such that the dianions cannot be distributed in well-defined sheets: no S ... S contacts less than 4.0 Angstrom are found in ((2: Q = PPh4) DMSO). The structures are compared with those reported for other [Q](2)[Zn(dmit)(2)] compounds. (C) 2000 Elsevier Science Ltd All rights reserved.

AB - [Zn(dmit)(2)](2-) dianions in [Q](2)[Zn(dmit)(2)] complexes (2: Q=1,4-Me-2-pyridinium (C7H10N) or NEt4), and [PPh4](2)-[Zn(dmit)(2)] . DMSO ((2: Q = PPh4) . DMSO) have distorted tetrahedral geometries, as a result of the 94.49(3) to 95.27(3)degrees range of the bite angle of the dmit ligands; H-2-dmit= 4,5-dimercapto-1,3-dithiole-2-thione, H2C3S5. The Zn-S bond lengths are in the range from 2.3285(8) to 2.3520(9) Angstrom. In (2: Q = C7H10N) and (2: Q = NEt4),both the cations and the dianions are found in alternating layers, which form columns and sheets. Whereas in (2: Q = C7H10N), there are no S ... S contacts less than the sum of the van der Waals radii, 3.70 Angstrom, S ... S contacts at 3.5792( 13) and 3.6605 (12) Angstrom, within dianion layers, are found in (2: Q = NEt4). In ( (2: Q = PPh4) . DMSO), the steric bulk of the [PPh4] (+) cations is such that the dianions cannot be distributed in well-defined sheets: no S ... S contacts less than 4.0 Angstrom are found in ((2: Q = PPh4) DMSO). The structures are compared with those reported for other [Q](2)[Zn(dmit)(2)] compounds. (C) 2000 Elsevier Science Ltd All rights reserved.

KW - 1,3-dithiole-2-thione-4,5-dithiolates

KW - dmit complexes

KW - zinc dmit compounds

KW - zincates

KW - 1,3-DITHIOLE-2-THIONE-4,5-DITHIOLATE DMIT

KW - CHEMISTRY

KW - METALS

M3 - Article

VL - 19

SP - 821

EP - 827

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

ER -