No correct valencies for iron triad and platinoids

epam / ketcher

Web-based molecule sketcher

https://lifescience.opensource.epam.com/ketcher/demo.html

Apache License 2.0

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No correct valencies for iron triad and platinoids #1078

Open AATDev21 opened 2 years ago

AATDev21 commented 2 years ago

Steps to Reproduce

Choose an element from the list: Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt.
Set any positive charge on it.
Or draw any structure with it, e.g. FeCl3.

Expected behavior Stable charges and bonds quantity should be ok and shouldn't be marked red.

Actual behavior All charge values and bonds quantity lead to bad valence error.

Screenshots

Desktop (please complete the following information):

OS: iOS
Browser: Google Chrome 96.0.4664.93, Safari 14.1.2.

AlexanderSavelyev commented 2 years ago

the requested behavior actually describes a feature request to support metal-containing molecules. There is a question is me-covalent bond can exist and it is worth to use haptic bonds and/or other types. The Fe+ and Fe2+ seems to be incorrect though

AndreiMazol commented 2 years ago

cc: @Alena-Guznischeva