Crystallography matters ... more!

The IUCr-UNESCO OpenLab Argentina

Partners of IUCr and UNESCO for OpenLab Argentina: Agilent Technologies | Olex2 

Venue: CONICET - CCT - Centro Científico Tecnológico - La Plata

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Single-crystal X-ray diffraction for structure solution and refinement

Lecturers: Oscar Piro (Universidad Nacional de La Plata), Lee Daniels (Agilent Technologies), Ricardo Baggio (Centro Atomico Constituyentes, Buenos Aires), Graciela Punte (Universidad Nacional de La Plata)

Tutors: Gustavo Echeverría (Universidad Nacional de La Plata), C. Gustavo Pozzi (Universidad Nacional de La Plata), Florencia Di Salvo (Universidad de Buenos Aires)

SECTION I: X-ray Physics

• Interaction of X-rays with crystalline matter
• Diffraction symmetry: Laue classes, Friedel's law, resonant scattering
• Structure solution and refinement: introductory strategies (Patterson, Fourier and Direct methods and isomorphous replacement)

SECTION II: Data collection and treatment

• Growth and evaluation of non-macromolecular crystals
• Practical aspects of data collection
• Practical aspects of data processing
• Space group determination
• Structures resolution and refinement of inorganic, organic and metal-organic structures
• Structures analysis
• Random and systematic errors
• Validation of results
• Crystallographic databases

SECTION III: Hands on Labs on single crystal data Bring your own crystal (Thursday May 8, Saturday May 10).
Attendants will be split between La Plata and Buenos Aires laboratories.

• Crystal selection and mounting, data collection and reduction
• Lp and absorption correction, Structure modelling and refinement using set examples
• Solving and refining some participant's own structure
• Software for structure solution and refinement for single-crystal data
• Commonly used software and interpretation of program output

Click here to download the programme