Inorg. Chem. 1989, 28, 1128-1 133
1128
Contribution from the Department of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, T h e Netherlands
Magnetic and Spectroscopic Properties of Copper(I1) Compounds with Alkyl-Disubstituted Triazoles. X-ray Structure of Bis[p-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-”,N’,N2,N’~bis[aquabromocopper( II)] Dibromide-2- Water-Methanol Winifred M. E. Koomen-van Oudenniel, Rudolf A. G. de Graaff, Jaap G. Haasnoot,* Rob Prins, and Jan Reedijk Receiued July 8. 1988
The crystal and molecular structure of bis[~-4-amino-3,5-bis(aminomethyl)1,2,4-triazole-N:N1,N2,N’1 bis[aquabromocopper(II)] dibromide-2-water-methanol, [ C U ( ~ ~ ~ ~ ) B ~ ( H ~ O ) ] ~ B (aamt ~~(= H~ C4N6HIO), O)~CH was ~O determined H by single-crystal X-ray diffraction. Crystal data: triclinic, centrosymmetric, space group Pi with a = 9.918 (5) A, b = 7.000 (2)A, c = 10.895 ( 3 ) A, a = 114.42 ( 2 ) O , 0 = 94.97 (3)O, y = 102.20 (3)O, 2 = 1 (dimer), and V = 660 (1) A3. The refinement of the structure based on 2594 significant reflections attained to R = 0.031 and R , = 0.034. The crystallographically independent mononuclear copper units are linked through a symmetry center, giving an approximately planar triazole-diaza-bridged dinuclear cation with a copper-copper distance of 4.069 (7) A. The axial positions on the copper ions are occupied by a water molecule and a bromide anion. The equatorial coordination around copper consists of ligand nitrogen donor atoms. With aamt a series of isostructural (A = Br-, C104-, CF3SO
