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Meaning of different types of structure representation

[1] Complete representation

The topology is determined for a net that is built from all atoms and all valence bonds of the structure. This representation is ordinarily used for inorganic compounds.

[2] H-bonded molecular structures, standard representation

The topology is determined for a net of molecular centers of mass, which are bonded on the basis of intermolecular hydrogen bonds. This representation is ordinarily used for molecular structures.

[3] Valence-bonded MOFs, standard representation

The topology is determined for a net of metal atoms and ligand centers of mass, which is constructed on the basis of metal-ligand coordination bonds. The representation is used for coordination compounds with organic ligands.

[4] H-bonded molecular MOFs, standard representation

The topology is determined for a net of centers of mass of finite coordination groups; the net is built on the basis of hydrogen bonds between these groups.

[5] Valence-bonded MOFs, standard cluster representation

The topology is determined for a net of centers of mass of valence-bonded polynuclear complex groups or clusters.

[6] Inorganic compounds, standard representation

The topology is determined for a net of metal atoms and ligand centers of mass, which is constructed on the basis of metal-ligand coordination bonds.The representation is used for complexes containing only inorganic ligands.


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