charge localisation in hexafluorophosphate

User 0e3a94e8e8

09-10-2012 15:47:31

Hello together


I am using MarvinSketch 5.11.1 on a OpenSuse Linux 12.2 64bit with the Oracle JRE 1.7.0_07 (64bit).


Drawing the octahedral structure of the PF6 anion with only single bonds between fluorine and phosphorus and the negative charge localised at the phosphorus, a valence error is displayed for phosphorus atom. From my point of view the displayed valence error is incorrect in this case.


The alternative structural description with one coordinate bond from fluorine to phosphorus with the negative charge at the coordinated fluorine atom works fine.


In the tetrahedral BF4 anion both structures are recognised correctly by the valence checker and consequently no error is shown.


Thank you for this great software and the excellent support in this forum


Wolfi

ChemAxon fc046975bc

10-10-2012 07:07:08

Hello Wolfi!


Thank you for the bug-report!


We have already noticed this bug and fixed it. Our next release, 5.11.2, contains this fix and will be available in the next week.


Best Regards,


Peter