Important Dates
August 22, 2011
Open Ceremony.
August 29, 2011
Closing Ceremony.


  • August 2011

    The latest Instructions to arrive to Colegios Mayores are available here.
  • August 2011

    Final Program files are ready to download.

  • class="active"
Second Circular
Updated information in the web page

Workshop 1:

XAFS Tutorials for crystallographers and beginners: General introduction and analytical methods for crystallographers and beginners in the field of XAFS.

  • Isabella Ascone
  • Joaquin García Ruiz
The purpose of the Tutorial is to give a general introduction and analytical methods for crystallographers and beginners in the field of XAFS. The number of participants is limited to 60.

Lectures will cover the fundamentals of XAFS: data analysis and its principles, theory and simulation of XAFS spectra, with applications to biology, chemistry, physics and materials science. Some tutorials will provide hands-on practice of XAFS.

Chair: Joaquin García Ruiz

9:30 - 10:00

X-ray absorption spectroscopy for beginners
Isabella Ascone (FR)
10:00 - 10:45 XAFS Theory: XANES and EXAFS spectra.
Christopher T. Chantler (AU)
10:45 - 11:30 Experimental aspects: synchrotron radiation, beamlines, detectors, measurement modes geometry, sample preparation methods.
Hiroyuki Oyanagi (JP)
11:30 - 11:45 Coffee Break
Chair: Isabella Ascone
11:45 - 12:30

Applications of X-Ray Absorption Spectroscopy in Physics and Material Science.
Joaquin García Ruiz (ES)

12:30 - 13:00 Applications of X-Ray Absorption spectroscopy in Chemistry
Marcos Fernandez-García (ES)
13:00 - 14:15 Lunch
Chair: Hiroyuki Oyanagi
14:15 - 15:15 FEFF and related codes:
Anatoly Frenkel (US)
15:15 - 15:45 FDMNES code
Elena Nazarenko (DE)
15:45 - 16:00 Coffee Break
16:00 - 16:45 Applications of X-Ray Absorption Spectroscopy in Biology
Britt Hedman (US)
16:45 - 17:15 EXCURVE code
Wolfram Meyer-Klaucke (DE)
17:15 - 17:45 XANES: MXAN code.
Keisuke Hatada (JP)

To register or get further information, please click on:

Registration        or        Further information

Workshop 2:

Current Research on Molecular Structures and Chemical Properties – A Young Perspective

  • Teresa Duarte, This e-mail address is being protected from spambots. You need JavaScript enabled to view it
  • Peter A. Wood, This e-mail address is being protected from spambots. You need JavaScript enabled to view it
  • Fernando J. Lahoz, This e-mail address is being protected from spambots. You need JavaScript enabled to view it
This workshop, proposed by the ECA Special Interest Group 13 (SIG13), organized in collaboration with the General Interest Group of Young Crystallographers (GIG-YC), and supported by the IUCr Commission of Structural Chemistry is aimed to encourage the exchange of current experiences between different groups working in this area.

We invite young researchers (under 35 years of age) to give short talks (~ 20 min) to explain to the other participants the main objectives of the research carried out in their groups and on the specific research they are personally involved in. The main goal is to learn through these short talks the current work that is carried out on the binomial ‘Molecular Structures/Chemical Properties’ in different groups. We would like to stimulate the establishment of future collaboration, perhaps within the framework of international funding systems.

Registration will be possible all time before the workshop (even ‘in-situ!), BUT it will be very helpful for the organization if you register BEFORE the date of the workshop.

Final Workshop Schedule
9:00 - 9:30 Registration
9:30 - 9:40 Opening
Teresa Duarte, Fernando J. Lahoz & Peter Wood
9:40 - 10:00 Pilar García-Orduña (Zaragoza, Spain)
Experimental charge density studies on catalytic intermediates
10:00 - 10:20 Boris Zakharov (Novosibirsk, Rusia)
Influence of non-ambient conditions on crystals of DL-serine and it’s oxalate
10:20 - 10:40 Claire Murray (Reading, UK)
Pairwise assembly of high-nuclearity arylpalladium(II) cages
10:40 - 11:00 Vânia André (Lisbon, Portugal)
New crystal forms of active pharmaceutical ingredients
11:00 - 11:30 Coffee-break
11:30 - 11:50 Loredana Erra (Grenoble, France)
Host-guest interactions in a purely organic zeolite
11:50 - 12:10 Lee E. Trollope (Rondebosh, South Africa)
The inclusion of substituted acetophenones in cyclodextrins: an X-ray diffraction and solution NMR spectroscopy study
12:10 - 12:30 Teresa Mastropietro (Arcavacata di Rende, Italy)
Supramolecular Design of Functional Metal-Organic Molecular Based Materials
12:30 - 12:50 Mei Ding (Beijing, China)
An Enantiopure FeIII4 Single Molecule Magnet
12:50 - 15:00 Lunch and poster session
15:00 - 15:20 Lynne Thomas (Bath, UK)
Structural Diversity in Layered Organic Materials through Templating Co-crystallisation
15:20 - 15:40 Ahmed Maqsood (Nancy, France)
Structural studies and electron density analysis of thiophene based compounds
15:40 - 16:00 Carla Martínez-Benito (Tenerife, Spain)
Discrete and Polimeric Metal-Organic Systems Based on the Methanetriacetic Acid
16:00 - 16:20 Alice Brink (Bloemfontein, South Africa)
Under the Microscope: Crystallographic and Spectroscopic Study of Rh(I) Complexes
16:20 - 16:50 Coffee-break
16:50 - 17:10 Sophia Lipstman Tel Aviv, Israel)
Supramolecular Crystal Chemistry with Porphyrin Tinkertoys.  An  Update
17:10 - 17:30 Kamil Dziubek (Poznan, Poland)
Report from a high-pressure crystals factory
17:30 - 17:50 Gabriele Manca (Florence, Italy)
Investigations of the bonding in platinum clusters and poli-iodide systems
17:50 - 18:10 Oriol Vallcorba (Barcelona, Spain)
Structure solution from powder data of an iminobenzothiazole detrivative using TALP
18:10 - 18:25 Closing remarks
Teresa Duarte, Fernando J. Lahoz & Peter Wood

Please click here to download the Registration form

Registration form should be sent to: This e-mail address is being protected from spambots. You need JavaScript enabled to view it

Please note that Workshop attendance is free.


This is an archive of the official website for the IUCrXXI Congress at Madrid in 2011. Some images and text may be missing and some links no longer work.