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Powder diffraction study of the crystal structure oftrans-Pd(NH3)2Cl2

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Abstract

Trans-Pd NH3)2Cl2 was studied by powder diffractometry. The unit cell parameters are a = 6.5408(8), b = 6.8573(8), c = 6.3574(6) Å, a = 103.303(5), Β = 102.457(3), γ = 100.612(4); V = 262.63 Å3, Z = 2, space group\(P\bar 1\). The atomic coordinates were established from Patterson syntheses and refined by the Rietveld method: Rp = 10.7%, Rwp = 10.2%, Rexp = 5.6%, RB = 3.6%. The crystal structure is of molecular type. The planar trans-Pd(NH3)2Cl2 molecules are packed parallel to each other into columns along the z axis, with every next molecule rotated through an angle of ∼ π/2. The observed packing of columns reproduces the cis-isomer quite closely. The structure has a disordering at 0.1Pd positions at 1/2, 0, 0 and 1/2 1/2, 0. A possible explanation for the nature of additional positions is offered.

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Authors and Affiliations

  1. Institute of Chemistry and Chemical and Metallurgical Processes, Siberian Branch, Russian Academy of Sciences, Russia

    L. A. Solov’yov, A. I. Blokhin, M. L. Blokhina, I. S. Yakimov & S. D. Kirik

  2. State Academy of Nonferrous Metals and Gold, Russia

    L. A. Solov’yov, A. I. Blokhin, M. L. Blokhina, I. S. Yakimov & S. D. Kirik

Authors
  1. L. A. Solov’yov
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  2. A. I. Blokhin
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  3. M. L. Blokhina
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  4. I. S. Yakimov
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  5. S. D. Kirik
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Translated fromZhurnal Struktumoi Khimii, Vol. 38, No. 1, pp. 148–154, January–February, 1997.

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Solov’yov, L.A., Blokhin, A.I., Blokhina, M.L. et al. Powder diffraction study of the crystal structure oftrans-Pd(NH3)2Cl2 . J Struct Chem 38, 121–125 (1997). https://doi.org/10.1007/BF02768817

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  • DOI: https://doi.org/10.1007/BF02768817

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