Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C13H19F6N2P
InChI=1/C13H19N2.F2HP.4F2/c1-3-4-7-10-15-11-14(2)12-8-5-6-9-13(12)15;1-3-2;4*1-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3;3H;;;;
| Identification Number: | 10.5258/ecrystals/945 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 21 May 2002 |
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| Deposited On: | 28 Mar 2012 12:59 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C13 H19 F6 N2 P |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 8.6272(2) |
| Cell length b | 16.6121(4) |
| Cell length c | 11.2470(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 107.4520(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0388 |
| R Factor (All) | 0.0515 |
| Weighted R Factor (Obs) | 0.1004 |
| Weighted R Factor (All) | 0.1089 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/945)
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