An X-ray powder study of the structure and microstructure of trans-dichloridobis(1,5-diamino-1H-tetrazole-κN4)palladium(II)

Ludmila S. Ivashkevich, Alexander S. Lyakhov, Tatiyana V. Serebryanskaya, Pavel N. Gaponik and Oleg A. Ivashkevich
  • 1 Belarusian State University, Research Institute for Physical Chemical Problems, Minsk, Belarus
  • 2 Belarusian State University, Research Institute for Physical Chemical Problems, Minsk, Belarus
  • 3 Belarusian State University, Research Institute for Physical Chemical Problems, Minsk, Belarus
  • 4 Belarusian State University, Research Institute for Physical Chemical Problems, Minsk, Belarus

Abstract

The crystal structure of the coordination compound [PdCl2(CH4N6)2], trans-dichloridobis(1,5-diamino-1H-tetrazole-κN4)palladium(II), has been determined from X-ray powder diffraction data collected at room temperature. The structure has been solved by direct methods and refined using Rietveld analysis. The complex crystallizes in the monoclinic space group P21/c, with Z=2. The unit cell dimensions are a=5.73491(4), b=11.94450(4), c=8.61685(4)Å, and β=99.6367(6)° with cell volume V=581.930(5)Å3. A slightly distorted square-planar coordination geometry is formed around the Pd atom by two Cl atoms and two tetrazole ring N atoms of two 1,5-diamino-1H-tetrazole ligands, which are in a trans configuration. In the complex molecule, the planes of the tetrazole rings are inclined at 53.7(3)° with respect to the coordination plane. Intermolecular hydrogen bonds of the amino groups N—H···Cl and N—H···Nring are responsible for formation of a three-dimensional supramolecular network. The powder pattern of the compound was strongly affected by the anisotropic line broadening. The width of the Bragg peaks was interpreted by a phenomenological microstructural approach in terms of anisotropic strain effect to complete the Rietveld refinement.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.

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