STRUCTURAL CLASSES OF MOLECULAR CRYSTALS WITH A SOLE BEARING CONTACTстатья
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Дата последнего поиска статьи во внешних источниках: 20 июля 2022 г.
Аннотация:From the list of 305 structural classes (SCs) previously formulated by Bel’skii with coauthors, based on the data about the number of generating elements, for 230 space groups those SCs of monosystemic homomolecular crystals in which there can be only one bearing intermolecular contact are revealed. In total, 37 SCs are found, among which there is none “giant” and large SCs, however, there are two small SCs: Fdd2, Z = 8(2) (DMSO4 SC) and P41212, Z = 4(2) (PhCN SC). It is shown that in these SCs the combinatorially distinguishable network constructed on one contact is the only one and belongs to the dia topological type. Examples of crystal structures are given. From the results of the analysis of Voronoi–Dirichlet molecular polyhedra molecular coordination numbers (MCNs) and the intermolecular interaction energy are calculated in the atom-atom approximation.