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The τ5 value has been proposed as a simple geometry index to quantify the distortion from trigonal bipyramidal geometry (τ5, 1) for five- coordinate species and is calculated by τ5, 1/60° × (β, α, with a and β defined as the two largest angles (Ligand, Metal, Ligand) in the five-coordinate complex. Thus, τ5 values for ideally square pyramidal five-coordinate complexes are equal to zero: (a) Addison, A. W, Rao, T. N, Reedijk, J, van Rijn, J, Verschoor, G. C. J. Chem. Soc, Dalton Trans. 1984, 1349-1356
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2(mnt)] (mnt = maleonitrile-2,3-dithiolate): Wang, Q.-H.; Long, D.-L.; Hu, H.-M; Cui, Y.; Huang, J.-S. J Coord. Chem. 2000, 49, 201-209. As steric effects most likely do not play a role in this case, the electronic structure of this particular dithiolene ligand seems to control the nuclearity of the complex (Note: both thiolate-sulfurs are comparatively electron-poor because of the nitrile substituents in close proximity which might disfavor a μ-S-coordination mode).
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2(mnt)] (mnt = maleonitrile-2,3-dithiolate): Wang, Q.-H.; Long, D.-L.; Hu, H.-M; Cui, Y.; Huang, J.-S. J Coord. Chem. 2000, 49, 201-209. As steric effects most likely do not play a role in this case, the electronic structure of this particular dithiolene ligand seems to control the nuclearity of the complex (Note: both thiolate-sulfurs are comparatively electron-poor because of the nitrile substituents in close proximity which might disfavor a μ-S-coordination mode).
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A crystallographically characterized tert-butyl substituted derivative of 2,2′- methylenedibenzenethiolate was previously reported (without explicit experimental procedure); estimation of the molecular for the unsubstituted analogue, however, is difficult from that crystal data because of the sterically demanding tert-butyl groups: Hiller, W.; Rundel, W. Acta Crystallogr. 1993, C49. 1127-1128.
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A crystallographically characterized tert-butyl substituted derivative of 2,2′- methylenedibenzenethiolate was previously reported (without explicit experimental procedure); estimation of the molecular volume for the unsubstituted analogue, however, is difficult from that crystal data because of the sterically demanding tert-butyl groups: Hiller, W.; Rundel, W. Acta Crystallogr. 1993, C49. 1127-1128.
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