Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C12H17BF4N2
InChI=1/2C12H17N2.2BF2H.2F2.5FH/c2*1-10(2)8-14-9-13(3)11-6-4-5-7-12(11)14;2*2-1-3;2*1-2;;;;;/h2*4-7,9-10H,8H2,1-3H3;2*1H;;;5*1H
| Identification Number: | 10.5258/ecrystals/964 |
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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 B F4 N2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.5701(3) |
| Cell length b | 11.0531(3) |
| Cell length c | 11.7699(3) |
| Cell angle alpha | 88.065(2) |
| Cell angle beta | 89.074(2) |
| Cell angle gamma | 88.757(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0549 |
| R Factor (All) | 0.0797 |
| Weighted R Factor (Obs) | 0.1341 |
| Weighted R Factor (All) | 0.1465 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/964)
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