Metals, crystal structure data sources

Abstract The complex tetra(imidazole)chlorocopper(II) chloride, [Cu(imidazole)4Cl]Cl, has been synthesized, and the structure has heen determined at the Small Crystal X-ray Crystallography Beamline (11.3.1) of the Advanced Light Source (ALS) at Lawrence Berkeley National Laboratory (LBNL), USA. Structural parameters of the parent complex are compared to similar materials previously reported in the literature. The particles in the present study can be used to prepare nanoparticle materials, or, by controlled growth, can be formed as nanoparticles initially. The structural data are important for making detailed calculations, models, and deriving reaction mechanisms involving metal ion-based biochemical systems. 

Unsubstituted, unsolvated complexes have been observed for all metals, but their low solubility prevents the growth of quality single crystals. This problem was recently overcome with data collected on a powder sample on a synchrotron X-ray source followed by Rietveld refinement.17-19 Not surprisingly, the structures display polymeric chains with alternating metal and Cp units. 

Mineral (phase) Approximate formula Crystal class Cell parameters (pm) Average metal-oxygen distances (pm) Structure-type (isostructural minerals) Sources of data... 

Bond distances obtained by single-crystal X-ray diffraction structural studies can provide another source of information about synergic bonding in transition metal complexes. However, such data need to be used with care, since changes in bond lengths are small and may be less than the experimental errors in determining the bond distances. 

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