Structure Determination of a Catalytically Active Ru (II) complex using Single Crystal X-ray Diffraction

Abstract

Single crystral X-ray diffraction (SC-XRD) was used to successfully determine, analyze and visualize the structure of the catalytically active Ru (II) complex synthesized by Ádám Erdélyi. The expected molecular structure could be verified and the data obtained during the experiment was of good quality. This thesis work also includes a comprehensive flowchart for structure determination using SC-XRD which the students can use as a guide in their course on X-ray diffraction at the University of Debrecen. The use of various crystallographic software such as Apex, Platon, Mercury, publCIF, ORTEP was briefly discussed. Pictures of the steps and visualized results can help the readers understand the process of using this technique.