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Table 2 Example of the representations chosen for different kinds of coordination compounds

From: Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database

An ethylenediamine complex

[Ni]1[NH2]CC[NH2]1

A phosphane complex

[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1

A water complex

[Zn]([OH2])([OH2])([OH2])([OH2]) ([OH2])[OH2]

A phenolate (anionic) complex

[Co]Oc1ccccc1

Dichloridebis(pyridine) copper(II)

[Cu]([n]1ccccc1)([n]1ccccc1)(Cl)Cl

An imidazole complex (neutral)

[Mn][n]1c[nH]cc1

An imidazolate complex (anionic)

[Mn]n1cncc1

Bidentate acetate moieties

[Cd]12([O]=C(O1)C)[O]=C(O2)C

Acetylacetonate complex

[Gd]1[O]=C(C)C=C(C)O1

Imino-enolate or amido-cetone complex (non-equivalent resonance forms)

[Cr]1[N](c1ccccc1)=C(C)C=C(C)O1 or [Cr]1N(c1ccccc1)C(C)=CC(C)=[O]1