Crystal structure of poly[(?3-thio-cyanato-?(3) N:S:S)(tri-methyl-phosphine sulfide-?S)copper(I)].

ABSTRACT: In the title compound, [Cu(NCS)(C3H9PS)] n , the thio-cyanate ions bind the Cu(I) atoms covalently, forming infinite -Cu-SCN-Cu- chains parallel to the a axis. Each Cu(I) atom is also coordinated to a tri-methyl-phosphine sulfide group via a Cu-S bond. Two crystallographically independent chains propagate in opposite directions, and are held together in a ribbon arrangement by long bonds between Cu(I) atoms in the first chain and thio-cyanate S atoms in the second, with Cu-S = 2.621?(1)?Å. The geometry around the Cu(I) atoms in the first chain is distorted tetra-hedral, with angles involving the long Cu-S bond much less than ideal, and the S-Cu-N angle between the phosphine sulfide S atom and the thio-cyanate N atom opening out to 133.19?(9)°. Each Cu(I) atom in the second chain appears to be disordered between two positions 0.524?(4)?Å apart, with occupancy factors of 0.647?(6) and 0.353?(6). The Cu(I) atom in the major site is in a distorted trigonal-planar configuration, with the S-Cu-N angle between the phosphine sulfide and the thio-cyanate N atom again opened out, to 137.01?(15)°. The Cu(I) atom in the minor site, however, forms in addition a long bond [Cu-S = 2.702?(5)?Å] to the phosphine sulfide of the first chain, not the thio-cyanate S atom, to provide a further link between the chains.

SUBMITTER: Corfield PW 

PROVIDER: S-EPMC4257289 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature