valence error bug

User 870ab5b546

17-05-2007 19:52:21

Hi,





The following mercurinium ion is thought by Marvin to have a valence error. Marvin is incorrect.





I thought Marvin no longer showed valence errors for metals? See this discussion.





-- Bob





Code:
<?xml version="1.0" ?>


<MDocument>


  <MChemicalStruct>


    <molecule molID="m1">


      <atomArray


          atomID="a1 a2 a3 a4"


          elementType="Hg R C C"


          formalCharge="1 0 0 0"


          sgroupRef="0 sg1 0 0"


          x2="-4.304622264629164 -3.9549485217868714 -3.0008980466510726 -1.9119536036237894"


          y2="3.1505740075486175 5.080287582621819 0.8751177245823587 1.964062167609642"


          />


      <bondArray>


        <bond atomRefs2="a3 a4" order="1" />


        <bond atomRefs2="a1 a4" order="1" />


        <bond atomRefs2="a3 a1" order="1" />


        <bond atomRefs2="a1 a2" order="1" />


      </bondArray>


      <molecule id="sg1" role="SuperatomSgroup" title="OAc" leftName="AcO" molID="m2">


        <atomArray


            atomID="a5 a6 a7 a8"


            elementType="O C C O"


            attachmentPoint="1 0 0 0"


            x2="-4.2521482755329085 -5.792148275532909 -6.562148275532908 -6.56214827553291"


            y2="5.88011763040702 5.88011763040702 7.213796752235056 4.546438508578985"


            />


        <bondArray>


          <bond atomRefs2="a6 a5" order="1" />


          <bond atomRefs2="a7 a6" order="1" />


          <bond atomRefs2="a6 a8" order="2" />


        </bondArray>


      </molecule>


    </molecule>


  </MChemicalStruct>


</MDocument>






-- Bob

ChemAxon 7c2d26e5cf

21-05-2007 12:40:08

Thanks for the bug report. You are right, we will fix it.