Publications [#233495] of Andrew T. McPhail

Journal Articles

  1. Garner, CD; Howlader, NC; Mabbs, FE; McPhail, AT; Miller, RW; Onan, KD, "Studies in eight-co-ordination. Part 5. Crystal and molecular structure and electron spin resonance spectra of tetrakis(diethyldithio-carbamato)molybdenum(V) hexamolybdate and chloride", Journal of the Chemical Society Dalton TransactionsDecember,, 1978(11), 1582-1589, Royal Society of Chemistry (RSC) [Gateway.cgi], [doi].
    (last updated on 2025/07/05)

    Abstract:
    The crystal structures of [Mo(S2CNEt2)4]2[Mo6O 19] (1) and [Mo(S2CNEt2)4]Cl (2) have been determined from diffractometer data by direct methods and refined by full-matrix least-squares calculations to R 0.050 and 0.083 over 2 893(1) and 3 079(2) statistically significant reflections. Both are monoclinic: (1), space group C2/c, a = 23.54(1), b = 12.72(1), c = 26.94(1) Å, β = 102.60(5)°, Z = 4; (2), space group P21/c, a = 10.67(1), b = 27.96(1), c = 11.13(1) Å, β = 93.06(5)°, Z = 4. The dimensions and configurations of the [Mo(S2CNEt2)4]+ ions are very similar in both crystals, with highly significant differences occurring only in the methyl-group orientations. The sulphur atoms from four bidentate ligands span the m edges of a D2d dodecahedron with mean Mo-SA 2.536(15) and Mo-SB 2.491(8) Å in (1), and corresponding values of 2.531 (9) and 2.505(12) Å in (2). Dimensions of the [Mo6O19]2- ion accord well with those determined in an earlier study: Mo-O(terminal) 1.673(13)-1.698(10), M-O(bridging), 1.881(10)-1.948(11), and Mo-O(central) 2.303(1)-2.323(1) Å. The single-crystal e.s.r. spectra of (1) and (2) are reported, and the molecular g values discussed in terms of the molecular structures and the electronic-absorption spectra of these complexes.