Pj. Ellis et al., EXAFS EVIDENCE THAT THE CUCL6(4-) ION IN (3-CHLOROANILINIUM)8(CUCL6)CL4 HAS AN ELONGATED RATHER THAN COMPRESSED TETRAGONAL GEOMETRY, Inorganic chemistry, 33(7), 1994, pp. 1249-1250
EXAFS measurements on (3-chloroanilinium)8(CuCl6)Cl4 in the solid stat
e show conclusively that the-CuCl64- complex ions do not have the (unu
sual) tetragonally compressed geometry (a) attributed to them in an ea
rlier X-ray crystal structure analysis. The CuCl64- ions have a normal
, tetragonally elongated geometry with a significant orthorhombic comp
onent (b). Disorder of the CuCl64- ions in the crystal (b) accounts fo
r the original crystallographic data. The, tetragonally elongated coor
dination geometry of the CuCl64- ions is consistent with the optical a
nd electron paramagnetic resonance spectra of the compound.