The crystal structure of copper dipyridine dibromide Cu(C5H5N)2Br2

The X-ray structural analysis of copper dipyridine dibromide was carried out. The substance is monoclinic, its space group isP2₁/n, having the lattice constantsa=8.30 kXU,b=17.72 kXU,c=4.04 kXU,=96°,Z=2. The localization of the heavy atoms was carried out by means of the projections of the Patterson functionsP(u, v) andP(v, w), which provided the bases for determining the signs of the majority of structure factors. The projections of the electron density(x, y) and(y, z) were calculated on the basis of these data. The positions of the atoms were refined three times by methods of differential syntheses and by geometrical analysis. The structure of CuPy₂Br₂ is very close to that of CuPy₂Cl₂ 1], 2], differing from it primarily in the orientation of the symmetry elements with respect to the crystallographic axes. In both structures the copper atom is octahedrally coordinated with four halogen and two nitrogen atoms. The nitrogen atoms and two bromine atoms are bound to the copper covalently in the structure of the bromine derivative, as follows from the length of the bonds (Cu-N 1.99 kXU, Cu-Br, 2.46 kXU), while the remaining two bromine atoms are bound to the copper by weaker bonds and mediate the chain formation of molecules in the direction of thec axis.

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Cu(C₅H₅N)₂Br₂

. , 2₁/ ==8,30 kX,b=17,72 kX,=4,04 kX,=96°,z=2. (, v) P(v, w), . (, ) (, z). . CuPy₂Br₂ u₂1₂, . . , (-N 1,99 kX, u-r 2,46 kX), .

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The authors thank M. Serátor for supplying the crystal samples and for initiating the work, the management of the Institute of Technical Physics, Czechoslovak Academy of Sciences, in Prague and especially Dr. A. Línek for making it possible to calculate some of the Fourier maps on the special computer Elika and finally A. lechtová for carefully calculating the Fourier maps and structure factors.

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The first stage of this work was reported on at the 3rd State Conference on Inorganic Chemistry, held in Bratislava from June 29th to July 4th, 1959.