Publications [#233542] of Andrew T. McPhail

Journal Articles

  1. McFadden, DL; McPhail, AT, "Crystal and molecular structures of dinitrato(1,10-phenanthroline)copper(II) and diaquanitrato(1,10-phenanthroline)copper(II) nitrate", Journal of the Chemical Society Dalton TransactionsDecember,, 1975(20), 1993-1998, Royal Society of Chemistry (RSC) [Gateway.cgi], [doi].
    (last updated on 2026/01/21)

    Abstract:
    The crystal structures of the title compounds, (I) [Cu(C12H8N2)(NO3)2] and (II) [Cu(C12H8N2)(NO3)(H 2O)2]-[NO3], have been determined from three-dimensional X-ray diffractometer data and refined by full-matrix least-squares calculations to R 0.045 [(I), 1 181 reflections] and 0.058 [(II), 1 525 reflections]. Crystals of (I) and (II) are monoclinic, space group P21/c, with Z = 4 in cells of dimensions: (I) a = 8.76(1), b = 9.12(1), c = 17.63(1) Å, β = 107.4(1)°; (II) a = 7.03(1), b = 20.20(1), c = 11.49(1) Å, β = 109.9(1)°. Crystals of (I) contain polymeric Cu(C12H8N2)(NO3)2 units in which one of the nitrato-groups is terdentate and serves to bridge the units along the 21 screw axis. The copper atom is seven co-ordinate: Cu-N(phen) 1.994(5), 2.018(5); Cu-O(NO3) 1.960(5), 1.996(4), 2.326(4), 2.814(5), and 2.863(5) Å. In (II) the copper atom is in a distorted octahedral environment with Cu-N(phen) 2.005(6), 2.008(6), Cu-O(NO3) 1.983(5), and Cu-O(H2O) 2.005(6) Å defining the basal plane. A second water oxygen [Cu-O 2.261 (6) Å], and an oxygen of the asymmetrically bidentate nitrato-group [Cu-O 2.594(6) Å] occupy the axial sites. The nitrate ion is involved in three hydrogen bonds to the co-ordinated water molecules.