Publications [#233554] of Andrew T. McPhail

Journal Articles

  1. McFadden, DL; McPhail, AT; Garner, CD; Mabbs, FE, "Crystal and molecular structure, electron spin resonance, and electronic spectrum of hexakis(imidazole)copper(II) nitrate", Journal of the Chemical Society Dalton TransactionsJanuary,, 1975(3), 263-268, Royal Society of Chemistry (RSC) [Gateway.cgi], [doi].
    (last updated on 2026/01/21)

    Abstract:
    The structure of the title compound has been established by three-dimensional X-ray crystal-structure analysis from diffractometer data. Crystals are monoclinic, space group P21/c, with a = 8.65(1), b = 17.64(1), c = 8.38(1) Å, β = 93.20(10)°, Z = 2. The structure was solved by the heavy-atom approach and molecular parameters were refined by full-matrix least-squares calculations to R 0.043 for 2137 independent reflections. The copper atom co-ordination in the centrosymmetric cation is distorted octahedral with Cu-N 2.012(2), 2.049(2), and 2.593(3) Å. In the crystal the nitrate ions bridge the complex cations through N-H ⋯ O hydrogen bonds, with N ⋯ O 2.815, 2.897, 3.073, and 3.086 Å. The single-crystal e.s.r. and polarised electronic spectra are also reported and the electronic structure of the chromophore discussed with reference to these and the crystallographic data.