The discovery of novel molecular compounds and materials with exciting properties is often to a large extent based on serendipity and to another on the careful observation and interpretation of experimental data with classical models such as approaches derived from qualitative molecular orbital theory, methods based on parameters related to donor-acceptor strengths or empirical concepts based on geometric and steric effects. It is quite general that, for compounds with novel and exciting properties, a subsequent thorough analysis of experimental data - state-of-the-art spectroscopy, magnetism, thermodynamic properties and/or detailed mechanistic information - with sophisticated electronic structure calculations is performed to interpret the experimental data and fully understand the novel compounds. As a result, new models and theories may emerge, possibly leading to rules concerning how the relevant properties of the new class of compounds may be improved. There are also examples, where novel types of compounds or novel mechanistic ideas have emerged from theoretical studies or from a close collaboration of theoretically oriented chemists with experimentalists. In many other cases, it is the experience, intuition and creativity of experimentalists, based on the accumulated knowledge, which leads to important achievements.

Understanding molecular compounds and materials is a coin with two sides: the molecular and crystal structure on one and the correlation of structure with properties on the other side. Enormous progress has been made in the experimental study of molecules by diffraction and spectroscopic analysis, directed at the understanding of the geometric and electronic structure. This has led to the development of efficient models for the design and interpretation of experiments, and is based on some understanding of intra- and intermolecular interactions.

Indaba 6 is aimed at the progress that is being made to achieve first-principle understanding of molecular science: structure, dynamics, activity and function. The symposium will be directed at all molecular scientists from chemistry, biology, physics, materials science and related fields such as crystallography, spectroscopy and catalysis. The scientific sessions will include invited keynote and contributed oral presentations as well as poster sessions with contributions from Theory and Molecular Modeling, Crystallography, Crystal Engineering, Materials and Host-Guest Chemistry as well as from Organometallic and Biochemistry.

Participation is unrestricted except for a limitation on the numbers due to the nature of the venue which can accommodate only 120 delegates. Preference will be given to presenters of original research and to students and postdoctoral associates.

A limited number of IUCr-sponsored bursaries will be available for students and other young scientists, who are invited to apply for support, preferably by e-mail, with the recommendation of a supervisor or a senior colleague, to the Secretariat (thereza@technoscene.co.za). A preliminary registration including a presentation title must first be submitted and your registration number (supplied by the Secretariat on receipt of the preliminary registration) should be quoted on all correspondence. Any support granted will be conditional on the acceptance by the Organising Committee of the abstract submitted by the delegate. The procedure for submitting abstracts will be published once finalised. Early submission of abstracts is encouraged for those delegates seeking support.