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Crystal structure oftrans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I),trans-Ir(CO)Cl-[P(cyclo-C6H11)3]2, a disordered species

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Abstract

The title compound crystallizes in the centrosymmetric triclinic space group\(P\bar 1\)(C l1 ; No.2) witha=9.9143(10) Å,b=10.2616(11) Å,c=10.7715(10) Å, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°,V=932.78(17) Å3 andZ=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined toR=1.42% andwR=1.94%. The molecule lies on a site of\(\bar 1\) symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir−P=2.339(1) Å, Ir−Cl=2.398(4) Å and Ir−CO=1.808(15) Å.

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Authors and Affiliations

  1. Department of Chemistry, Acheson Hall, University at Buffalo State University of New York, 14214, Buffalo, New York

    Melvyn Rowen Churchill, Charles H. Lake, Cynthia A. Miller & Jim D. Atwood

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  1. Melvyn Rowen Churchill
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  2. Charles H. Lake
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  3. Cynthia A. Miller
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  4. Jim D. Atwood
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Churchill, M.R., Lake, C.H., Miller, C.A. et al. Crystal structure oftrans-carbonylchlorobis-(tricyclohexylphosphine)iridium(I),trans-Ir(CO)Cl-[P(cyclo-C6H11)3]2, a disordered species. J Chem Crystallogr 24, 557–560 (1994). https://doi.org/10.1007/BF01666737

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  • DOI: https://doi.org/10.1007/BF01666737

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