1977 Volume 50 Issue 12 Pages 3222-3231
The crystal structure of the title compound has been determined by a three-dimensional X-ray structure analysis, using 4563 counter intensity data. The crystals are monoclinic, with a=22.97(2), b=15.89(1), c=10.00(1) Å, β=100.1(1)°, space group P21, and Z=4. The structure was solved by the Patterson and Fourier technique and was refined by the block-diagonal least-squares method to R=0.061. The unit cell contains two crystallographically independent complex cations, the structure of which are very similar to each other. The complex cation is dimeric; there are two Cu atoms, and each of the two cyclo-L-histidyl-L-histidylato ligands bridges two metal atoms. Except for the aqua ligand, the main body of the complex has an approximate twofold axis which passes through the two metal atoms and relates the ligands to each other. The two Gu atoms have different coordination geometries. One Gu atom has a flattened tetrahedral coordination by 4N atoms, whereas the other is surrounded by 2N and 3O atoms and is intermediate between the square pyramid and the trigonal bipyramid.
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