User fe67e1776b
07-11-2013 09:54:55
In the new version, there is no way to present inorganic salt such as SnCl2. Since Sn has multiple valence, the presentation of SnCl2 in ionic form is tricky. If simply put 2+ on an Sn atom, the IJC will automatic change Sn to SnH22+, not the Sn2+ as expected. However, in the older version of IJC, the hydrogen can be removed by manually assign the valence number on Sn atom. The Sn2+ can be presented correctly by assign valence number 2 on the Sn and it looks like this Sn2+ (v2). The mol file of this form is OK to most of cheminformatics softwares.
However, in the current version, this trick is not working. Even if I manully assign the valence number 2 to the Sn atom, the Sn2+ is still presented as SnH22+ and, consequently, all the calculations of SnCl2 is wrong.
Could you please fix this problem?