Supplemeotary Material Available:Tables of temperature factors, best planes and dihedral angles, hydrogen atom parameters, and moduli of observed and calculated structure factors (35 pages). Ordering information is given on any current masthead page. 1 -0xo-2,3,6-(~penicillaminato-N,S,O)-4,5-(~penicillaminato-~,~)technetium(V), TcO(C5H9N02S)(C HloN02S), has been obtained as orthorhombic crystals: P212121; a = 21.878 ( 5 ) A, b = 11.711 (2) A, c = 5.924 (1) A; Z = 4. Datawere collected with Mo Ka radiation and a Syntex P21 diffractometer. The crystal structure was solved by standard methods and refined to R , = 0.0592 and R2 = 0.0439 on the basis of 3401 independent reflections. The technetium is six-coordinate, being bonded to oxygen (Tc-O = 1.657 (4) A), the S, N, and 0 atoms of a D-penicillamine dianion deprotonated at S and 0, and to the S and N atoms of a D-penicillamine anion deprotonated at S. The second Tc-0 distance is longer (2.214 (4) A), comparable to the Tc-N distances (2.185 (9, 2.209 (6) A). Tc-S distances are normal (2.283 (2), 2.296 (2) A).The molecules are strongly hydrogen bonded from carboxylic acid to carboxylate into a helical chain in the crystal. NMR, vibrational, and electronic spectra are reported.
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