Molecular structure;
Johnson polyhedra;
Continuous shape measures;
Diamond;
Metal clusters;
Coordination compounds;
Space-filling polyhedra;
Supramolecular assemblies;
期刊名称：
Coordination chemistry reviews
i s s n：
0010-8545
年卷期：
2017 年
350 卷
Nov. 期
页 码：
3-13
页 码：
摘 要：
A structural, shape and symmetry analysis of a very large number of molecular and solid state compounds has been carried out in search for eight-atom groups with the shape of a gyrobifastigium (GBF), one of the Johnson polyhedra. The structures analyzed include A(4)B(4) inorganic molecules, C-8 groups in organic molecules, tetranuclear M4X4 complexes, the coordination sphere of octacoordinated metal atoms, and A(4)B(4) or A(8) groups in extended solids. Cus, Lib and Nab clusters, as well as Mn-8 and Cus supramolecular assemblies are the best examples of that shape in molecular structures. A host of MX2 compounds (M = alkaline-earth element, yttrium, lanthanide or actinide; X = Si, Ge or Ga) crystallize in the ThSi2 structure, in which the M atoms form nearly perfect GBFs; also the high-pressure structures of K, Rb and Cs, provide us with excellent example of the existence of gyrobifastigia in extended solids. The coordination spheres of specific Cd, U, K and Pb complexes have slightly distorted GBF structures which, in the first two cases, are seen to be along the minimal distortion path toward a tetrahedron with four extra weak metal-ligand bonds for U, or toward the hexagonal bipyramid for both Cd and U. The relationship between the GBF shape and the geometry of a C-8 fragment found in the diamond structure is studied, and a number of structures are shown to be along the GBF-diamond minimal distortion pathway. (C) 2017 Elsevier B.V. All rights reserved.
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