How to draw ferrocene?

User 60fe9bbae5

08-02-2007 10:12:23

Could you tell me how to draw ferrocene molecule by Marvin Sketch?

User f359e526a1

08-02-2007 11:35:57

Hello, unfortunatelly in the current version there are no coordinated bonds and you can not really draw a ferrocene/metallocene. We are working hard on coordinated bonds and multicenter Sgroups - they will be included in the next major release.

User 60fe9bbae5

08-02-2007 14:25:05

Thank you very much.

User f359e526a1

08-02-2007 14:53:58

This topic is realted to dative/multicenter bonds, maybe useful for you:


10-02-2007 00:19:27

aruga wrote:
Could you tell me how to draw ferrocene molecule by Marvin Sketch?

User f359e526a1

12-02-2007 18:06:38

Hello, was something missed here? Seems the quiestion did not come through.

User 870ab5b546

11-01-2008 20:00:13

In Marvin 5.0, it's possible to draw ferrocene. You will need to look at these instructions to learn how to do it.

It is also possible to draw a pi-allyl complex. (See Cp2Ti(allyl) below.) I used aromatic bonds to represent the C-C bonds in the allyl group. However, I would like to see a curved line represent the electrons in the allyl group in the picture, rather than the solid-dashed lines that show currently. Is it possible to add that feature to multicenter S groups?

<?xml version="1.0" ?>




    <molecule molID="m1">


          atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17"

          elementType="Ti C C C C C X C C C C C X C C C X"

          sgroupRef="0 sg1 sg1 sg1 sg1 sg1 0 sg2 sg2 sg2 sg2 sg2 0 sg3 sg3 sg3 0"

          x2="-3.5199999809265137 -6.215000152587891 -7.460866481604919 -6.985004064217696 -5.444996240958083 -4.969133823570862 -6.215000152587891 -3.7950000762939453 -5.0408664053109735 -4.565003987923751 -3.024996164664138 -2.549133747276917 -3.7950000762939453 -1.9800000190734863 -0.6463208972454506 -0.6463208972454505 -1.0908806045214625"

          y2="1.8700000047683716 4.609992207093841 3.7047756085818406 2.2402281686619485 2.2402281686619485 3.7047756085818406 3.299999952316284 0.3199922452408135 -0.5852243532711867 -2.049771793191079 -2.049771793191079 -0.5852243532711867 -0.9900000095367432 3.4649999141693115 2.6949999141693115 1.1549999141693115 2.4383332475026447"



        <bond atomRefs2="a2 a3" order="A" />

        <bond atomRefs2="a2 a6" order="A" />

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

        <bond atomRefs2="a4 a5" order="A" />

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

        <bond atomRefs2="a7 a1" convention="cxn:coord" />

        <bond atomRefs2="a8 a9" order="A" />

        <bond atomRefs2="a8 a12" order="A" />

        <bond atomRefs2="a9 a10" order="A" />

        <bond atomRefs2="a10 a11" order="A" />

        <bond atomRefs2="a11 a12" order="A" />

        <bond atomRefs2="a13 a1" convention="cxn:coord" />

        <bond atomRefs2="a14 a15" order="A" />

        <bond atomRefs2="a15 a16" order="A" />

        <bond atomRefs2="a17 a1" convention="cxn:coord" />


      <molecule id="sg1" role="MulticenterSgroup" molID="m2"

         atomRefs="a2 a3 a4 a5 a6"  center="a7"


      <molecule id="sg2" role="MulticenterSgroup" molID="m3"

         atomRefs="a8 a9 a10 a11 a12"  center="a13"


      <molecule id="sg3" role="MulticenterSgroup" molID="m4"

         atomRefs="a14 a15 a16"  center="a17"






ChemAxon e500b51457

14-01-2008 21:16:54

We have considered your request. The representation and visualization of the electrons in the allyl group will be different. We plan to solve this problem in Marvin 5.1 or 5.2.

Best regards,


User 870ab5b546

14-01-2008 21:47:06

Pentadienyl groups (not cyclopentadienyl -- they already work fine) too, please.

ChemAxon e500b51457

16-01-2008 21:45:54

Yes, Pentadienyl groups will be represented and visualized similarly.

User 870ab5b546

12-06-2009 02:05:59

I want to compliment you on the ease of drawing cyclopentadienyl compounds such as Cp2Fe and Cp2TiCl2 in Marvin 5.2.  I also want to compliment you on the fact that Clean-3D converts both these compounds to their correct 3D structures (linear and tetrahedral, respectively).  One very minor complaint: When the Cp ring is converted to 3D, the circle inside the Cp that represents aromaticity is replaced with five individual aromatic bonds, which are represented by parallel solid and dashed lines.  I would like to see the circle preserved in 3D (though of course it would have to be an oval, depending on the user's perspective).  

ChemAxon 990acf0dec

15-06-2009 06:32:06

Hi Bob,

The perspective drawing of aromatic rings (using ellipses for the display of aromaticity) is among our plans, and will hopefully be released in 5.3 coming this autumn.

Best regards,