title: Structure of a neutral N-alkylated diaminedithiol (dadt) 99TcV complex: syn[99TcO(NEt-tmdadt)].
abstract: syn-(4-Ethyl-2,9-dimethyl-4,7-diaza-2,9-decanedithiolato)oxo (99Tc) technetium(V), syn-[99TcO(NEt-tmdadt)], [Tc(O)(C12H25N2S2)], Mr = 375, monoclinic, P2(1)/n, a = 9.638(2), b = 14.371(5), c = 11.893(3) A, beta = 100.79(2) degrees, V = 1618.15(75) A3, Z = 4, Dx = 1.54 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 11.0 cm-1, F(000) = 776, T = 293 K, R = 0.028, wR = 0.042 for 2788 unique observed reflections with I greater than sigma(I). This study is the first which conclusively establishes the structure of the major complex derived from the reaction of an N-substituted diaminedithiol ligand with reduced pertechnetate. An intramolecular repulsion exists between the ethyl substituent and the oxo-metal core, resulting in a larger-than-expected angle for N(2)-Tc-O, 104.7(1) degrees.
authors.affiliation: Department of Environmental Health Sciences, Johns Hopkins University, School of Hygiene and Public Health, Baltimore, MD 21205-2179.
authors.forename: A
authors.initials: A
authors.lastname: Mahmood
authors.forename: W A
authors.initials: WA
authors.lastname: Halpin
authors.forename: K E
authors.initials: KE
authors.lastname: Baidoo
authors.forename: D A
authors.initials: DA
authors.lastname: Sweigart
authors.forename: S Z
authors.initials: SZ
authors.lastname: Lever
mesh_terms: D015394:Molecular Structure; D015609:Organotechnetium Compounds / Q000737:chemistry*; D013438:Sulfhydryl Compounds; D014961:X-Ray Diffraction
chemical_list: D015609:Organotechnetium Compounds; D013438:Sulfhydryl Compounds; C068779:technetium Tc 99m (4-ethyl-2,9-dimethyl-4,7-diaza-2,9-decanedithiolato)oxo