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.F2HP.2F2.4FH/c1-3-4-9-14-10-13(2)11-7-5-6-8-12(11)14;1-3-2;2*1-2;;;;/h5-8,10H,3-4,9H2,1-2H3;3H;;;4*1H
| Identification Number: | 10.5258/ecrystals/944 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 13 May 2002 |
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| Deposited On: | 24 Sep 2013 22:03 |
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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 | 10.8992(3) |
| Cell length b | 11.7190(4) |
| Cell length c | 11.5030(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.630(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0372 |
| R Factor (All) | 0.0475 |
| Weighted R Factor (Obs) | 0.0924 |
| Weighted R Factor (All) | 0.0983 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/944)
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