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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

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Volume 161, Issue 3-4


Intermediates in thermal decomposition of nickel(II) complexes: The crystal structures of Ni(SCN)2(NH3)2 and Ni(SCN)2

Erich Dubler / Armin Reller / H. R. Oswald
Published Online: 2010-08-25 | DOI: https://doi.org/10.1524/zkri.1982.161.3-4.265


Ni(SCN)2(NH3)2 and Ni(SCN)2 are stable intermediates in the course of the thermal decomposition reaction Ni(SCN)2(NH3)4 → NiS2. Ni(SCN)2(NH3)2 crystallizes in the monoclinic space group C2/m with a = 8.698(5), b = 7.991(4), c = 5.619(3) Å, β = 105.91(9)°, Z = 2, Dx = 1.85g cm−3. The crystal data for Ni(SCN)2 are: space group C2/m, a = 10.476(7), b = 3.628(2), c = 6.165(5) Å, β = 106.89(9)°, Z = 2, DX = 2.59g cm−3. The structures were determined from X-ray intensities measured on a four-circle diffractometer and were refined to Rw = 0.016 for 524 independent observed reflections [Ni(SCN)2(NH3)2] and to Rw = 0.037 for 611 independent observed reflections [Ni(SCN)2]. Ni(SCN)2(NH3)2 exhibits a structure with infinite [unk] chains along [001]. The resulting approximate square planar coordination of nickel by two S and two N atoms is completed to a distorted octahedron by two NH3 ligands. The infinite chains [unk] are preserved in Ni(SCN)2 in the course of the thermal decomposition of Ni(SCN)2(NH3)2. By additional linking of neighbouring chains through [unk] bridges a layer structure (001) results for Ni(SCN)2.

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Published Online: 2010-08-25

Published in Print: 1982

Citation Information: Zeitschrift für Kristallographie, Volume 161, Issue 3-4, Pages 265–277, ISSN (Online) 0044-2968, ISSN (Print) 1433-7266, DOI: https://doi.org/10.1524/zkri.1982.161.3-4.265.

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