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Crystal and molecular structure of nickel(II) dicyanothiosemicarbazide monohydrate

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Abstract

The structure of the title compound (Ni(CN)2(CH5N3S)·H2O) has been determined, from X-ray diffractometer data, by the heavy-atom method and refined by least-squares. The finalR-values, based on 3109 observed reflections, areR=0.035 andR w =0.039. The complex has square-planar geometry with two adjacent cyano carbon atoms (Ni-C, 1.838(2) Å and 1.862(2) Å)and thiosemicarbazide sulfur and nitrogen atoms (Ni-S, 2.169(1) Å and Ni-N, 1.923(2) Å). The water molecule does not enter the inner coordination sphere of the nickel atom; however, it plays a very important role in the crystal structure. Water is coordinated by hydrogen bonds to four adjacent complex units.

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Authors and Affiliations

  1. Department of Inorganic Chemistry, Slovak Technical University, 812 37, Bratislava, Czechoslovakia

    M. Dunaj-Jurčo, J. Kožíšek, P. Cagáň, M. Melník & T. Šramko

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  1. M. Dunaj-Jurčo
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  2. J. Kožíšek
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  3. P. Cagáň
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  4. M. Melník
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  5. T. Šramko
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Dunaj-Jurčo, M., Kožíšek, J., Cagáň, P. et al. Crystal and molecular structure of nickel(II) dicyanothiosemicarbazide monohydrate. Journal of Crystallographic and Spectroscopic Research 22, 51–57 (1992). https://doi.org/10.1007/BF01161363

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  • DOI: https://doi.org/10.1007/BF01161363

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