Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C11H15F6N2P
InChI=1/C11H15N2.F5P.FH/c1-3-8-13-9-12(2)10-6-4-5-7-11(10)13;1-6(2,3,4)5;/h4-7,9H,3,8H2,1-2H3;;1H
| Identification Number: | 10.5258/ecrystals/967 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 03 February 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 | C11 H15 F6 N2 P |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 9.20170(10) |
| Cell length b | 16.0731(3) |
| Cell length c | 18.2782(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0431 |
| R Factor (All) | 0.0505 |
| Weighted R Factor (Obs) | 0.1204 |
| Weighted R Factor (All) | 0.1265 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/967)
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