Crystal Structure of Bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate

摘要

The solid-state structure of bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane copper(II) ditetraphenylborate acetone disolvate was determine by single-crystal X-ray diffraction analysis. Single crystals of the title compound were obtained from acetone and diethyl ether. The compound crystallizes in a triclinic system, space group P1. The unit-cell parameters were determined to be a = 12.2123(15), b = 12.5684(16), c = 12.9841(16)Å, α = 100.526(2)°, β = 107.4237(19)°, γ = 116.1558(19)°, Z = 1, V = 1587.4(3)Å3. The crystal includes two acetone molecules. One of which shows a conformational disorder. The crystal structure was solved by dual space methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.0392 and wR2 = 0.0999 for I 2σ(I) and all data, respectively.