You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
According to @flange-ipb's findings, this seems to be a problem with the valences. I used technetium heptaflouride, no r-layer is specified here. It does for technetium in oxidation state 6 (TcF6). If a fluorine is replaced by a methyl in TcF7 (which leads to TcF6C), the reconnection layer is indicated again.
During my research, I came across a phenomenon in InChI. The -RecMet
flag does not work for the following compounds (all chlorides):
magnesium chloride, MgCl2
InChI=1S/2ClH.Mg/h21H;/q;;+2/p-2
InChI=1/2ClH.Mg/h21H;/q;;+2/p-2 -RecMet
aluminium chloride, AlCl3
InChI=1S/Al.3ClH/h;31H/q+3;;;/p-3
InChI=1/Al.3ClH/h;31H/q+3;;;/p-3 -RecMet
beryllium chloride, BeCl2
InChI=1S/Be.2ClH/h;21H/q+2;;/p-2
InChI=1/Be.2ClH/h;21H/q+2;;/p-2 -RecMet
magnesium chloride, MgCl2
InChI=1S/2ClH.Mg/h21H;/q;;+2/p-2
InChI=1/2ClH.Mg/h21H;/q;;+2/p-2 -RecMet
As indicated, the second (non-standard) InChI has been created with the '-RecMet' flag, but the reconnection layer is always missing.
The text was updated successfully, but these errors were encountered: