Crystal and Molecular Structure of Bis[ethylenediamine(barbiturato)palladium(II)]-4-water


The title complex was synthesized and its structure determined by three-dimensional x-ray crystallography using counter methods. Crystal data for bis[ethylenediamine(barbiturato)palladium(II)]-4-water, Pd 2O 10N 8C 12H 28, space group P1, Z = 1, a = 7.977 (1) Å, b = 8.777 (2) Å, c = 9.155 (2) Å, α = 105.29 (3)°, β = 99.36 (2)°, γ 118.62 (1)°, V = 510 Å 3; 1504 reflections were collected by counter methods and the data refined to a conventional R value of 2.7%. The complex consists of dimeric molecules, the two halves of which are related by the crystallographically imposed inversion center. The palladium atoms are bonded to two adjacent ethylenediamine nitrogens, to a deprotonated ring nitrogen of the barbiturate ligand, and to the deprotonated tetrahedral ring carbon atom of another barbiturate ligand. The water molecules included in the lattice show close approaches to ligand oxygen and amine nitrogen atoms which, together with the observed hydrogen atom positions, indicate hydrogen bonding links to form an infinitely polymeric hydrogen-bonded network. The ligand environment about the metal is slightly distorted square planar. The barbiturate ligand is also approximately planar, the main deviation from planarity being due to the tetrahedral carbon atom which is coordinated to the metal atom. © 1978 American Chemical Society.



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© 1978 American Chemical Society (ACS), All rights reserved.

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01 Jan 1978