Abstract

The densities of the compounds were measured by flotation in a CaBr3/n-C6Hl4 mixture. Intensity data were corrected for Lorentz and polarization effects. Only a unique data set was collected. The structure was solved by Patterson methods and subsequent Fourier synthesis maps. The data refined with isotropic displacement parameters were corrected for absorption. A weighting scheme of type w = wl.w2 with w~ = kl/(a +blFol) 2 and w2 = k2/(c + dsinO/A + esin20/)O was used to obtain flat dependence in (wA2F} versus (Fo) and versus (sin0/A} (PESOS; Martfnez-Ripoll & Cano, 1975). The coefficients used were kl = 0.403; k2 = 0.792; a = 1.369, b = -0.518 for IFol 21.58; c = 7.986, d = -35.299, e = 40.918 for sin0/A 0.73. The non-H atoms were refined anisotropically. All H atoms were clearly visible in a difference Fourier synthesis and were refined isotropically. Most calculations were carded out using the XRAY76 system (Stewart, Machin, Dickinson, Ammon, Heck & Hack, 1976) running on a MicroVAX II computer.

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