Bis[1,2-bis-(4- tert-butyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II) pentane 0.25-solvate

Titir Das Gupta; Jack Applebaum; William Broussard; Carson Mack; Che Wu; Joel T Mague; James P Donahue

doi:10.1107/S205698902300097X

Bis[1,2-bis-(4- tert-butyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II) pentane 0.25-solvate

Acta Crystallogr E Crystallogr Commun. 2023 Feb 17;79(Pt 3):182-186. doi: 10.1107/S205698902300097X. eCollection 2023 Feb 1.

Authors

Titir Das Gupta¹, Jack Applebaum¹, William Broussard¹, Carson Mack¹, Che Wu¹, Joel T Mague¹, James P Donahue¹

Affiliation

¹ Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA.

Abstract

The title compound, [Ni(C₂₂H₂₆S₂)₂], 1, is a square-planar D _2h -symmetric compound that occurs on a general position in non-centrosymmetric tetra-gonal P4₁2₁2 (No. 92) with ¼ eq of n-pentane (C₅H₁₂) as co-crystallite. Intra-ligand bond lengths show the di-thiol-ene ligands to be in their half-oxidized radical monoanionic form. Inter-molecular ^t Bu-C-H⋯arene_centroid and ^t Bu-C-H⋯NiS₂C_{2 centroid} close contacts guide the packing arrangement for 1.

Keywords: crystal structure; dithiolene; electron-donating; electron-withdrawing; nickel.

Grants and funding

Funding for this research was provided by: National Science Foundation, Directorate for Mathematical and Physical Sciences (award No. MRI: 1228232; grant No. CHE: 1836589).