Acta Crystallographica Section B

Structural Science

Volume 54, Part 4 (August 1998)

short communications

Acta Cryst. (1998). B54, 503-504 [ doi:10.1107/S0108768198003401 ]

Is There Evidence for Non-Linear Thiocyanate or Selenocyanate Ions?

R. E. Marsh

Abstract: The structure of a mixed-valence copper complex with 1,10-phenanthroline, [Cu^II(phen)₂]-NC-[Cu^I(phen)((Se,S)CN)]- [(Se,S)CN].0.5(C₂H₅OH), [mu] -cyano-1 [kappa] N:2 [kappa] C-(seleno,thio)cyanato-2 [kappa] N-tris(1,10-phenanthroline)-1 [kappa] ⁴N,N';2 [kappa] ²N,N'-dicopper(I,II) (seleno,thio)cyanate semiethanolate, has been revised from space group Cc to C2/c. Refinement in C2/c has shown that, contrary to the Cc results, the (Se,S)CN anions can be described as approximately linear, as expected.