5.067
Crystal Structure Refinement
Practical aspects of crystal structure determination from data collection strategies to data reduction and basic and advanced refinement problems of organic and inorganic molecules.
Fall 2009
Topics
- Overview, syllabus, textbook
- Structure solution (SHELXS) and introduction to XP
- Hydrogen atoms (cont.)
- Atom type assignment
- Atom type ambiguities
- Disorder
- Refinement of disorder on not so difficult examples
- More on disorder
- Refinement of a difficult disordered structure
- Pseudo symmetry
- Pseudo symmetry (cont.)
- Twinning
- Refinement of merohedral and pseudo-merohedral twins
- Refinement of non-merohedral twins
- Artefacts
- Structure validation using PLATON
- Using PLATON on our structures
- What else is there?
- Discussion
Readings
- Müller, P. Crystal Structure Refinement . 1st ed. New York, NY: Oxford University Press, 2006. ISBN: 9780198570769.
Prerequisites & course information
Prereq: 5.069 or permission of instructor G (Fall) 2-3-1 units
Sources
- Course catalogue ↗2026–2027
- MIT OpenCourseWare ↗Fall 2009
- MIT OCW syllabus ↗
- MIT OCW calendar ↗
- Historical MIT OpenCourseWare offering. Named reading entries and schedule topics are automatically extracted from the linked source pages.