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X-ray crystal structures of [NHR3]2[Fe4S4X4] (X = PhS, R = Et or nBu; X = Cl, R = nBu): implications for sites of protonation in Fe–S clusters

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Abstract

The X-ray crystal structures of [NHR3]2[Fe4S4X4] (X = PhS, R = Et or nBu; X = Cl, R = nBu), reported in this paper, show NH…X interactions between the cation and the cubanoid cluster. Comparison of the cluster dimensions in [NHR3]2[Fe4S4X4] with those reported earlier for [NR′4]2[Fe4S4X4] (R′ = Me, X = PhS; R′ = Et, X = Cl) indicates that N–H…X interactions have a negligible effect on the dimensions of the cluster. The relevance of these structures to understanding where on [Fe4S4X4]2− protonation labilises the cluster to substitution is discussed.

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Acknowledgments

T. Al-Rammahi thanks the Higher Committee for Education Development in Iraq and Iraqi Ministry of Higher Education and Scientific Research for a studentship.

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Authors and Affiliations

  1. School of Chemistry, Newcastle University, Newcastle upon Tyne, NE1 7RU, UK

    Thaer M. M. Al-Rammahi, Paul G. Waddell & Richard A. Henderson

  2. Department of Chemistry, College of Science, University of Kerbala, Kerbala, Iraq

    Thaer M. M. Al-Rammahi

Authors
  1. Thaer M. M. Al-Rammahi
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  2. Paul G. Waddell
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  3. Richard A. Henderson
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Correspondence to Richard A. Henderson.

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Al-Rammahi, T.M.M., Waddell, P.G. & Henderson, R.A. X-ray crystal structures of [NHR3]2[Fe4S4X4] (X = PhS, R = Et or nBu; X = Cl, R = nBu): implications for sites of protonation in Fe–S clusters. Transit Met Chem 41, 555–561 (2016). https://doi.org/10.1007/s11243-016-0052-5

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