title: Crystal structure of poly[(μ3-thio-cyanato-κ(3) N:S:S)(tri-methyl-phosphine sulfide-κS)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.
authors.affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.
authors.forename: Peter W R
authors.initials: PW
authors.lastname: Corfield
keywords: coordination polymer; copper(I) complex; crystal structure; phosphine sulfide; thio­cyanate