The crystal structure of I2Cl6(ICl3)

Abstract

I~C16 crystallizes in complexly twinned triclinic crystals; space group Pi, one IuCI 6 per unit cell. The crystal structure was determined by the use of three-dimensional Patterson and Fourier syntheses. The final value of the disagreement factor R was 0-12. The bond lengths are subject to an uncertainty of 0.02 /~ and in addition to this to a standard deviation of 0.01 A. The structure consists of planar molecules with negligible deviations from the point group symmetr, y mmm. Each iodine atom is surrounded by two chlorine atoms at a distance of 2.38 and 2.39 A and by two others at 2.72 and 2.68 A.. A discussion of the twhanlng and of the atomic distances is given.