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Crystal structure of poly[(μ3-thio-cyanato-κ(3) N:S:S)(tri-methyl-phosphine sulfide-κS)copper(I)].

Corfield PW - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: Each Cu(I) atom is also coordinated to a tri-methyl-phosphine sulfide group via a Cu-S bond.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 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.

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.

No MeSH data available.


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The alternate ribbon structure of the title polymer, showing the environment of Cu2 in position B, with ellipsoids at the 50% level. Hydrogen atoms omitted.
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fig2: The alternate ribbon structure of the title polymer, showing the environment of Cu2 in position B, with ellipsoids at the 50% level. Hydrogen atoms omitted.

Mentions: CuI atoms in the first chain bind to thio­cyanate sulfur atoms in the second, with Cu1—S4 = 2.621 (1) Å. Also, one of the disordered CuI atoms in the second chain forms a long bond to the phosphine sulfide of the first chain, with Cu2B—S1 = 2.702 (5) Å, forming another link between the chains (Figs. 1 ▶ and 2 ▶), and a ladder arrangement that is seen also in one of the structures in Healy et al. (1984 ▶) and in Niu et al. (2008 ▶). The Cu—Cu distances across the chain are 3.656 (3) Å for Cu1—Cu2A and 3.351 (5) Å for Cu2B. ▶


Crystal structure of poly[(μ3-thio-cyanato-κ(3) N:S:S)(tri-methyl-phosphine sulfide-κS)copper(I)].

Corfield PW - Acta Crystallogr Sect E Struct Rep Online (2014)

The alternate ribbon structure of the title polymer, showing the environment of Cu2 in position B, with ellipsoids at the 50% level. Hydrogen atoms omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257289&req=5

fig2: The alternate ribbon structure of the title polymer, showing the environment of Cu2 in position B, with ellipsoids at the 50% level. Hydrogen atoms omitted.
Mentions: CuI atoms in the first chain bind to thio­cyanate sulfur atoms in the second, with Cu1—S4 = 2.621 (1) Å. Also, one of the disordered CuI atoms in the second chain forms a long bond to the phosphine sulfide of the first chain, with Cu2B—S1 = 2.702 (5) Å, forming another link between the chains (Figs. 1 ▶ and 2 ▶), and a ladder arrangement that is seen also in one of the structures in Healy et al. (1984 ▶) and in Niu et al. (2008 ▶). The Cu—Cu distances across the chain are 3.656 (3) Å for Cu1—Cu2A and 3.351 (5) Å for Cu2B. ▶

Bottom Line: Each Cu(I) atom is also coordinated to a tri-methyl-phosphine sulfide group via a Cu-S bond.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 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA.

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.

No MeSH data available.


Related in: MedlinePlus