Event Name

Second Chemical Crystallography Workshop

Start Date 25th May 2010
End Date 29th May 2010

2010 Chemical Crystallography Workshop

McMaster University, Hamilton, ON

May 25 -29

The second Chemical Crystallography Workshop in Canada will once again be hosted by the McMaster Analytical X-ray (MAX) Diffraction Facility at McMaster University in Hamilton, ON. The Workshop will be targeted towards chemistry graduate students and post docs who would benefit from an improved understanding of the basic theory and practice of structure determination using single crystal X-ray diffraction methods. The workshop is offered as a satellite to the 2010 Canadian Society for Chemistry meeting in Toronto. The McMaster campus is on the very inexpensive GO Transit network (bus, commuter train) with both the Pearson Airport and Union Station (near the convention center).

The Workshop is organized by the Canadian National Committee for Crystallography. The International Union of Crystallography is a sponsor of the workshop, and is providing travel assistance for International students who qualify.

Participants will work with the WinGX software (on their own Windows laptops) and solve and refine several crystal structures, including one or two from their own research. Those who do not have access to a diffractometer can arrange to collect data in advance of the workshop. Several practice data sets will be supplied. WinGX is a free package with hooks into SHEXLS, SHELXD, SHELXL, SIR92, Superflip, PLATON, ORTEP, and more - everything required to process, solve, refine and validate single crystal diffraction data, as well as generate images and data tables.

Short demonstrations and presentations will be spread out over the five days in order for the student to appreciate some of the theory and and practice behind the process. A vague recollection of wave addition, Fourier transforms, point groups, matrices, trig and algebra will be assumed, although explanations will usually be based on 3D visualizations rather than equations.


The program will consist of short lectures and demonstrations throughout the meeting. We will cover sample selection and mounting, optimizing data collection, diffraction theory, symmetry and space groups, reciprocal space, integration of data, structure solution and model building, refinement, and analyses and presentation of the derived data. Students will be solving and refining structures, starting almost immediately. We will have several experienced crystallographers helping the participants. Organic, inorganic, organometallic, and solid state crystals are all fair game.

Location Hamilton, Ontario
URL http://www.chemistry.mcmaster.ca/facilities/mcmaster-analytical-x-ray-diffraction-facility-max/251

Category IUCr sponsored meetings | Workshops
Topics Chemical crystallography