Abstract
The crystal and molecular structure of the title compound, C21H11N6S4Ni, is reported. The crystals are triclinic:P¯1 (No. 2),Z=4,a=8.768(1),b=11.817(3),c=22.131(3) Å,α=97.44(1),β=91.90(1), and γ=94.04(1)°. The structure was solved by the heavy-atom method, and refined by full-matrix least squares toR=0.039 for 3213 unique reflections. The Ni atoms of both anions in the asymmetric unit have an approximately square-planar configuration. Anions and cations form segregated stacks alonga. The stacking of the anions along this direction is dimeric, with alternating Ni-Ni distances 4.111(2) and 7.593(2) Å for molecule I and 4.208(1) and 8.155(2) Å for molecule II. Static susceptibility measurements show strong antiferromagnetic coupling (2J=-241 cm−1) between the two anions of the dimers.
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Kuppusamy, P., Manoharan, P.T., Mahadevan, C. et al. Crystal and molecular structure ofN-methylphenazinium bis(maleodinitriledithiolato)nickelate(III), [NMP]+ [Ni(mnt)2]− . Journal of Crystallographic and Spectroscopic Research 15, 359–376 (1985). https://doi.org/10.1007/BF01160728
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DOI: https://doi.org/10.1007/BF01160728