A new monoclinic crystal phase of [Bu4N][Ni(dmit)2] |
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| Authors: | Martijn J.J. Mulder Huub Kooijman Anthony L. Spek Jaap. G. Haasnoot Jan Reedijk |
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| Affiliation: | (1) Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands;(2) Bijvoet Center for Biomolecular Research, Crystal and Structural Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands |
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| Abstract: | The crystal structure of the title compound, tetrabutylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III), [N(C4H9)4][Ni(C3S5)2], is the fourth known phase of this polymorphous compound. It is monoclinic space group P21/c, with a = 20.040(2) Å, b = 13.1151(17) Å, c = 12.1093(15) Å,  = 105.456(15)°, and V = 3067.5(6) Å3 with Z = 4, for Dcalc = 1.503 g cm–3. The [Ni(dmit)2] anion packing arrangement consists of arrays of  side-on touching anions and these arrays are connected via head-to-tail close S  S contacts. |
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| Keywords: | Tetrabutylammonium nickel dmit dithiolate complex crystal structure polymorphism |
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