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Cryo-Crystallography: Diffraction at Low Temperature and More

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Advanced X-Ray Crystallography

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 315))

Abstract

This chapter comments on the motivations and the methods of crystallographic studies at low temperature. Cry-crystallography is a brunch of Crystallography, a science that is too often confused with a technique. On the other hand, the scientific background to study crystal phases at low temperature is here provided, together with a survey of many possible techniques that provide complementary or supplementary information. Several applications are discussed, in particular in relation with highly accurate studies like electron density determination or phase transition mechanisms.

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Notes

  1. 1.

    Sometimes an X-ray diffraction experiment is carried out only with the purpose of ascertaining the chemical composition of a given solid.

  2. 2.

    More generally, one may ask whether a (macro)molecule frozen in the solid state can really be representative of the structure in solution, where the molecule is in fact active.

  3. 3.

    In [59] the authors reported the structure of a tri-osmium complex containing a hydride and clearly stated that a low temperature X-ray diffraction experiment would not be useful to locate the hydride if an accurate absorption correction is not carried out. Curiously, a few years before they had contacted Prof. A. Sironi and myself at the University of Milan proposing a low temperature data collection on that compound, with the purpose of locating the not so clearly visible hydride. As evident from [59], we were able to convince them on the real problems connected with the location of hydrogens close to heavy metals.

  4. 4.

    It is important here to talk about space group type, not just space group. In fact, the space group is determined by the combination of lattice and symmetry operators. When crystallographers report a given space group, in reality they refer to a space group type (i.e., the coincidence of symmetry operations with those cataloged in the International Tables of crystallography, regardless the actual lattice dimensions). This distinction is particularly important when discussing phase diagrams and in particular it is fundamental to appreciate the exact meaning of iso-symmetric phase transition.

  5. 5.

    This problem is sometimes referred to as the second phase problem in crystallography.

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Acknowledgements

The author thanks the Swiss National Science Foundation for financial support (Project 200021_125313) and Professor Angelo Sironi (University of Milan, Italy) for continuous scientific inspiration.

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  1. Department of Chemistry and Biochemistry, University of Bern, Freistrasse 3, CH-3012, Bern, Switzerland

    Piero Macchi

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  1. Nanoscience Center, Department of Chemistry, University of Jyväskylä, JYU, 40014, Finland

    Kari Rissanen

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Macchi, P. (2011). Cryo-Crystallography: Diffraction at Low Temperature and More. In: Rissanen, K. (eds) Advanced X-Ray Crystallography. Topics in Current Chemistry, vol 315. Springer, Berlin, Heidelberg. https://doi.org/10.1007/128_2011_207

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