Chapter

Chapter 9.7 The space-group distribution of molecular organic structures

Mathematical, physical and chemical tables

First Online Edition (2006)

Part 9. Basic structural features

  1. A. J. C. Wilson1,
  2. V. L. Karen2,
  3. A. Mighell2

Published Online: 1 JAN 2006

DOI: 10.1107/97809553602060000623

International Tables for Crystallography

International Tables for Crystallography

How to Cite

Wilson, A. J. C., Karen, V. L. and Mighell, A. 2006. The space-group distribution of molecular organic structures. International Tables for Crystallography. C:9:9.7:897–906.

Author Information

  1. 1

    St John’s College, Cambridge CB2 1TP, England

  2. 2

    NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA

Publication History

  1. Published Online: 1 JAN 2006

Abstract

The space-group distribution of molecular organic structures is reviewed. Topics discussed include: a priori classifications of space groups; special positions of given symmetry; empirical space-group frequencies; the use of molecular symmetry; structural classes; a statistical model for space-group frequency; molecular packing; and a priori predictions of molecular crystal structures.

Keywords:

  • antimorphism;
  • basic structural features;
  • hydrogen bonding;
  • Kitajgorodskij’s categories;
  • molecular packing;
  • packing;
  • space groups;
  • space-group frequencies;
  • statistical modelling;
  • structural classes;
  • structure prediction;
  • symmorphism