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The crystal structure of Cu(14-ane-S4)(ClC>4)2 is reported where 14-ane-S4 represents the saturated 14-membered cyclic tetrathia ether ligand, 1,4,8,11 -tetrathiacyclotetradecane. The copper atom is centered in the plane of the four sulfur atoms with elongated bonds to two trans perchlorate groups completing the tetragonal coordination. Average bond lengths are Cu-S = 2.303 (1) Á and Cu-0 = 2.652 (4) A. The direct comparison of the crystal and solution spectra of Cu(14ane-S4)(C104)2 indicates that this complex maintains the same regular coordination geometry in the solution state. Moreover, the spectral and redox properties of the thia ether complex, similar to those exhibited by the blue copper proteins, indicate that coordinative distortion is not a primary factor in generating the distinctive properties which have been the hallmark of this class of proteins.

15) Computer programs used in data reduction and in solution and refinement of the structure were the following: datared by Frenz was used for data reduction; absorption corrections were performed using the numerical subroutines of Coppens' datapp as included in agnost by Cohen; Fourier, a version of Zalkin's fordap, by Dellaca and Robinson was used for Patterson and Fourier syntheses; the full-matrix, least-squares program nucls by Ibers and Doedens resembles Busing and Levy's orfls program; perfact by Frenz was used for an analysis of structure factors and ortep by Johnson was used for drawing illustrations on a Gerber plotter; the function and error program orffe by Busing, Martin, and Levy, as modified by Brown, Johnson, and Thiessen, was used; list by Snyder produced a listing of the data. ( 16) D. T.

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