Department of Chemistry

X-ray Diffraction Laboratory


This page provides useful crystallographic information relating to undergraduate curriculum.

Mercury is a freeware from the Cambridge Crystallographic Data Centre (CCDC), which offers 3D crystal structure visualization and a comprehensive range of tools for analysis of solid state crystal structures.



All students are encouraged to familiarize with this software for structural analysis. Please download the software from the official CCDC webpage.

A quickstart guide (QSG_Mercury.pdf) is available for basic structural analysis using Mercury.


And please download the CIF mentioned in the guide.


Course-related molecular structures are provided below in Crystallographic Information File (CIF) format. Some CIFs have been amended for teaching purpose.

Course Code and Title Compound ID CIF Dowload
CHEM2341 Inorganic chemistry I Potassium Channel Protein
CHEM3341 Inorganic chemistry II 4-C4H4)Fe(CO)3
CHEM3341 Inorganic chemistry II [(η2-C2H2)PtCl3]-
CHEM3341 Inorganic chemistry II (PhCCPh)Pt(PPh3)2
CHEM3341 Inorganic chemistry II 2-C2H2)Ru(PMe3)4
CHEM3341 Inorganic chemistry II CoSalen from acetonitrile or ethanol
(check point 7 in the quickstart guide)
CHEM3341 Inorganic chemistry II CoSalen from chloroform
(check point 7 in the quickstart guide)

For more information, please contact Dr. Kam-Hung Low: khlow@hku.hk