Space group distributions differ considerably among subsets of organic crystal compounds: the impact of metal content and residue number

Abstract

This paper analyses the space group distributions of non-disordered, non-polymeric, ion-free crystals using data from the Cambridge Structural Database according to two factors: the presence of metal elements and the number of different chemical compounds in the unit cell. It was found that the former significantly affects the fraction of space groups in which there are only general positions, and the latter, on the distribution of crystals between the two most common space groups (no. 14 and no. 2).