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Crystal structure of the Ni(ClO4)2 complex of the mixed donor macrocycle, 9-ane N2O: Resolution of disorder by force-field calculation

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Abstract

The crystal structure of the nickel perchlorate complex of the macrocyclic ligand 9-ane N2O [Ni(ClO4)2·C12H28N4O2] has been determined by X-ray diffraction. The observed space group,Cm (No. 28), occurs because of disorder across the mirror plane. The disorder was resolved by force-field calculation and superposition of the calculated structures in a molecular trial-and-error procedure. The coordination geometry is octahedral and the centrosymmetric cation contains a pseudo-three-fold axis.

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References

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Authors and Affiliations

  1. Department of Chemistry, University of the Witwatersrand, 2000, Johannesburg, South Africa

    Jan C. A. Boeyens, Robert D. Hancock & Vivienne J. Thöm

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  1. Jan C. A. Boeyens
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  2. Robert D. Hancock
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  3. Vivienne J. Thöm
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Boeyens, J.C.A., Hancock, R.D. & Thöm, V.J. Crystal structure of the Ni(ClO4)2 complex of the mixed donor macrocycle, 9-ane N2O: Resolution of disorder by force-field calculation. Journal of Crystallographic and Spectroscopic Research 14, 261–268 (1984). https://doi.org/10.1007/BF01161163

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  • DOI: https://doi.org/10.1007/BF01161163

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