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MAD techniques applied to powder data: The method of the joint probability distribution functions |
Carmelo Giacovazzo 1,3, Angela Altomare 1, Maria Cristina Burla 2, Gaetano Campi 1, Cuocci Corrado 1, Benny Danilo Belviso 1, Fabia Gozzo 4, Moliterni Anna Grazia 1, Giampiero Polidori 2, Rizzi Rosanna 1 |
1. CNR-Istituto di Cristallografia (IC), via Amendola 122/O, Bari 70126, Italy |
Abstract |
The method of joint probability distribution functions has been applied to powder data to find the anomalous scatterer substructure. The method needs two wavelength data: the conclusive formulas provide estimates of the substructure structure factors, from which the anomalous scatterer positions should be found by Patterson or Direct Methods. The theory has been applied to two compounds. The crystal structure of the first, trans-dichlorido-diacetate-ammine-(1-adamantylamine) Pt(IV), C14 H26 N2 O4 Cl2 Pt was unknown: we used Pt as anomalous scatterer. The crystal structure of the second, Iron(II) phthalocyanine bis (pyridine), C32 H16 N8 Fe (C5 H5 N)2, was known: we used Fe as anomalous scatterer. Both the two substructures were correctly located. |
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Presentation: Oral at 11th European Powder Diffraction Conference, Microsymposium 11, by Carmelo GiacovazzoSee On-line Journal of 11th European Powder Diffraction Conference Submitted: 2008-04-29 15:42 Revised: 2009-06-07 00:48 |