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. 2018 May 18;10:23. doi: 10.1186/s13321-018-0279-6

Table 2.

Example of the representations chosen for different kinds of coordination compounds

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