inorganic and organometallic chemistry: the reaxys solution_may24_cf

Download Inorganic and organometallic chemistry: The Reaxys solution_may24_cf

Post on 26-May-2015




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Our Reaxys webinar, presented by Chris Flemming on May 24th showed attendees how to: - Draw and search for organometallic compounds - Set up search strategies for finding inorganics and organometallics - Use ligand codes


  • 1. Your host: Ani Marrs Your presenter: Chris FlemmingWelcome to our Reaxys webinar!Searching for Inorganic and OrganometallicSubstances in Reaxys

2. Your host: Ani Marrs Your presenter: Chris FlemmingWelcome to our Reaxys webinar!Searching for Inorganic and OrganometallicSubstances in Reaxys 3. Need to knowWebinar control panel:chat for questions or ask a questionminimize option for full screen viewQ&A after presentation 4. Welcome to our Reaxys webinar!Searching for Inorganic and OrganometallicSubstances in Reaxys 5. AlloysDyesGlassMaterialsElectronicsBiomolecules PolymersBatteries Ceramics 6. AgendaSearch for inorganic substances usingname, molecular formula, and structure queriesSearch for organometallic and coordinationcompounds using structure queriesSearch for organometallic and coordinationcompounds using ligand codes 7. Inorganics 8. I Need Information. How can I find property data for copper sulfate?Are there any examples of reactions usingTin chloride as a catalyst?Is there any information on tin-doped chromium? 9. How do I formulate the query?StructureName MolecularCAS #FormulaStannous chloride Cl2Sn 7772-99-8Tin (ii) chloride SnCl2Tin dichloride 10. Generate a Structure Copper sulfate 11. Form-based Tab - Identification Data FieldsCASnumber, Name, andMolecularformulafields 12. CAS NumberCASnumber, Name, andMolecularformulafields 7758-99-8 Include hyphens Retrieves 1 substance 13. Molecular FormulaThese formatsalso work:Cu(SO4)Retrieves 9CuSO4substancesCASnumber, NaO4CuSme, andMolecular Best to use:formulafieldsAlphabetical orderCapital lettersCuO4S when appropriateRanges andwildcards allowed 14. Chemical NameCASRetrieves 3number, Na substancesme, andMolecularformulaCapital letters notfields necessarycopper sulfate Wildcards allowed Use operators: is, starts with, ends with, and contains 15. Chemical Name - Index Retrieves 6 substancesCASnumber, Name, andUse the Index toMolecularselect namesformulafieldscopper sulfate 16. Advanced TabThe Advanced Search tab offers hundreds of searchable fields and data operators for creative querying. CAS numberName Molecular Formula 17. Advanced Tab - Name and CAS number fieldsAdvanced51 substances, i.e.Retrieves Search queries useIDE.CN = *phosgene*the following syntax: IDE.RN =7758-99-8IDE.CN = = phosgeneIDE.CNS phosgenephosgenephosgene, (20percent)Retrieves 224 substances,i.e. triphosgenephosgenedichloromethaneRetrieves 90 substances, i.e. phosgene-pyridin Best of several [(11)C]phosgene CAS numbers. 18. Advanced Tab Molecular Formula fields 19. Advanced Tab Molecular Formula fields(Linear Structure Field)Use alphabetical order IDE.LSF=Zr(4+)*O4Si(4-) tin-doped chromiumIDE.LSF=CrdotSnZirconium silicateUse the Linear Structure Use the LinearFormula field when Structuresearchingfieldcompounds Formula for whenwith a particular charge searching for doped compounds.For multi-fragment For doped compounds, thecompounds the dopants are formulas of theMol. formulas of the basis separated from individualfragments are separated compound by thefrom one another by designation dot.asterisks (*). 20. Advanced Tab Molecular Formula fields (Fragment MF Field)This field is searchable butnot displayableIDE.FMF = C6FeN6(3-)*Use the FragmentMolecularFormula field to retrieveall compoundscontaining a givenfragment, and thefragmentsthemselves. Find substances containing hexacyanoferrate(III) fragments 21. Advanced Tab Molecular Formula fields (MF Range Field)This field is searchable butnot displayable IDE.MOFO = Ba2Cu3O(6-8)The MF Range field allowsthe searching of rangeswith molecular formula. It iscalculated during thesearch "on the fly". 22. AlloysThis field enables you tosearch for alloys, glasses andceramic materials. Thecontent of eachconstituent, an element orcompound, is displayed inthe results by a percentagevalue. The percentage may beshown as weight %, atom%, volume %, or unknown%. 23. Organometallics and Coordination Compounds 24. StrategiesUse templates 25. StrategiesUse Link Nodes 5-membered ring 7-membered ring 8-membered ring 6-membered ring 26. StrategiesUse bond Types Drag bonds to a common point 27. Ligand Search Fields One-center ligandMulti-center ligand 28. Ligand CodesUse these field codes when setting up your queriesThere are also special ligand fields 29. ExampleFind substances where iron is bondedto at least one CO, at least one C, andalso bonded to anything else.Query is: LIGO.BASE = fe* ANDLIGO.FORM = l AND LIGO.FORM = co 30. PollThe poll should appear on your screen shortly 31. Lets take a look at Reaxys . by going to 32. Questions and Answers 33. Thank You For more information and questions please contact Our next Reaxys webinar will be June 21 and will it will be an introduction to Reaxys. Go to for all training related materials Please fill out the survey that appears on your screen after leaving the webinar.


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