Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C12H17F6N2P
InChI=1/C12H17N2.F5P.FH/c1-10(2)8-14-9-13(3)11-6-4-5-7-12(11)14;1-6(2,3,4)5;/h4-7,9-10H,8H2,1-3H3;;1H
| Identification Number: | 10.5258/ecrystals/965 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 30 January 2004 |
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| Deposited On: | 08 Nov 2013 16:36 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C12 H17 F6 N2 P |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 10.8197(5) |
| Cell length b | 11.9252(7) |
| Cell length c | 11.2662(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.577(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0386 |
| R Factor (All) | 0.0408 |
| Weighted R Factor (Obs) | 0.1029 |
| Weighted R Factor (All) | 0.1051 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/965)
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