Teaching Modules

DETERMINING MOLECULAR DIMENSIONS > STEPS REQUIRED > What is the typical Sb-Cl bond length in hexachloro-antimony?
What is the typical Sb-Cl bond length in hexachloro-antimony?
Start Mogul and hit the Draw button to open the Draw window.
Sketch hexachloro-antimony as shown below. In order to change the current element type to Sb click on the More... button, then select Other Elements... from the pull-down menu. Sb can then be selected from the Periodic Table.
Hit Done to transfer the sketched structure to the Build query pane in the main Mogul window.
Select the two atoms that are needed to define one of the Sb-Cl bond lengths by clicking on them with the left-hand mouse button (if you make a mistake hit Reset to clear the current selection). Selected atoms will be highlighted within the query:
Hit Search to run the search.
Mogul will retrieve all crystal structures in the CSD that contain a Sb-Cl bond in the same chemical environment as the query molecule. The results are then presented as a histogram which shows the Sb-Cl bond length distribution calculated from those matching entries:
A single crystal structure can, of course, contain more than one Sb-Cl bond length fragment e.g. a hexachloro-antimony ion will contain six. How many different crystal structures are represented in the histogram? You can view the CSD entries contributing to the histogram by clicking on the View structures tab. The refcodes of hit structures will appear in the list on the right-hand side, you can use the << and >> buttons to browse the hit structures.