Summary of problems solved by the NoSpherA2 implementation of HAR and the exemplary structures shown in this work. Additionally, possible fields of application that benefit from this are given.
Problem | Example | Field of Application |
---|---|---|
Occupational disorder | (C6H6O2)(CO2)0.854 | Supramolecular chemistry, host–guest systems, MOFs/COFs |
Conformational disorder | C10H10N4F2 | Protein crystallography, solvent disorder, macromolecular crystallography |
High symmetry network compounds | CaF2/(NH4)2B6H6 | Network compounds, crystal design, inorganic structure refinement |
Compounds containing heavy metals | OsH6(PC12H19)2 | Inorganic and metalorganic compounds, catalytic complex understanding, metal–metal interactions |