8th Canadian Chemical Crystallography Workshop (CCCW17)

22nd – 26th May 2017, Hamilton, ON

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.

It will be impossible to go into great detail on so many topics in such a short time, so we will be relying on a lot of 3D graphics, a lot of examples, and a lot of hands on experience to get the message across. Students will take home copies of the presentations, and some data sets to work on. They will also have results from their own projects. They should be able to handle routine crystal structure analyses after the course as well as some of the trickier cases.

Details of the program will appear below and will be finalized once the makeup of the class is known.


Supplemental Material from previous CCCW’s:

Link to Ilia Guzei’s Notes on Olex2

Northwestern University’s Olex2 Cheat Sheet

Crytals and Bragg’s Law (Amy)

Crystal Systems and Space Groups (Paul)

Symmetry guide (Paul)

Data Collection and Processing (Louise)

Reciprocal Space (Jim, 215Mb wmv)

sample data (Louise)

Databases (Amy)

Structure Factors (Jim, 114Mb wmv)

Li2 Structure Factor Calculator (Scotty)

Mogul (Amy)

ConQuest (Amy)

XRD2 and XRD3 (Jim)

Campanarama (Chuck, 700Mb)

Electron localization-delocalization matrix (LDM) (Cherif)

Crystal Growing (Paul)

Structure Finalization (Louise)

Sample data sets and solutions.

What to do with disorder

CIF-file and validation

Absolute configuration

Bonus: 2008 TwinRotMat presentation by Ton Spek