Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II)

In the title complex, [Hg(NCS)2(CH4N2S)2], the HgII atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for the trans-thiocyanate S atoms and 90.14 (5)° for the cis-...

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Bibliographic Details
Main Authors: A. Baskaran, K. Rajarajan, M. NizamMohideen, P. Sagayaraj
Format: Article
Language:English
Published: International Union of Crystallography 2015-02-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015000584
Description
Summary:In the title complex, [Hg(NCS)2(CH4N2S)2], the HgII atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for the trans-thiocyanate S atoms and 90.14 (5)° for the cis-thiourea S atoms. The molecular structure is stabilized by an intramolecular N—H...S hydrogen bond, which forms an S(6) ring motif. In the crystal, molecules are linked by a number of N—H...N and N—H...S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966). Rocz. Chem. 40, 547–569] with an extremely high R factor of 17.2%, and no mention of how the data were collected.
ISSN:2056-9890