The Crystal and Molecular Structure of Silver(I) N,N-Diethyldithiocarbamate

• Published in: Bulletin of the Chemical Society of Japan Vol. 49; no. 5; pp. 1271 - 1276
• Main Authors: Yamaguchi, Hiroko, Kido, Azuma, Uechi, Tetsuo, Yasukouchi, Kazuo
• Format: Journal Article
• Language: English
• Published: Tokyo The Chemical Society of Japan 01.05.1976; Chemical Society of Japan
• ISSN: 0009-2673; 1348-0634
• DOI: 10.1246/bcsj.49.1271

The crystal structure of silver (I) N,N-diethyldithiocarbamate was determined by the X-ray diffraction method. The crystals are monoclinic, with the space group P21/c, and with two hexameric molecules in a unit cell with dimensions of a=10.90±0.02, b=24.72±0.01, c=11.51±0.02 Å, and β=125.8±0.1°. The structure was solved by a heavy-atom method and was refined by block-diagonal least-squares methods to a final R-value of 0.029 for 2108 observed reflections. The structure consists of hexameric molecules, [AgS2CN(C2H5)2]6. The hexameric structure was essentially consistent with Hesse’s preliminary result (1960). The terminal silver atom in one molecule is bridged by a sulfur atom to that in the adjacent hexamer, forming a chain structure along the a axis. All the silver atoms are connected to five atoms (either 1Ag and 4S or 2Ag and 3S). The dithiocarbamate ligands are classified into three types: bidentate, intra-, and inter-molecule tetradentate.