Sample Originator: N Tomkinsona.
Data Collection: Simon J. Colesb
Structure Determination: Michael B. Hursthouseb and Simon J. Colesb.
Cardiff Universitya
University of Southamptonb
C13H16NPF6
InChI=1/2C13H17N.F5P.F2HP.4F2.FH/c2*1-2-7-13(8-3-1)9-6-12-14-10-4-5-11-14;1-6(2,3,4)5;1-3-2;4*1-2;/h1-3,6-8,12H,4-5,9-11H2;1-3,6-9H,4-5,10-12H2;;3H;;;;;1H/b12-6+;9-6+;;;;;;;
| Identification Number: | 10.5258/ecrystals/307 |
|---|
| Date Created: | 04 May 2007 |
|---|
| Deposited On: | 21 Jan 2008 15:30 |
|---|
| Deposited By: | Dr Simon J Coles |
|---|
Data collection parameters
| Chemical formula | C13 H16 F6 N P |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 18.0459(5) |
| Cell length b | 16.9680(5) |
| Cell length c | 9.58230(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.198(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1417 |
| R Factor (Obs) | 0.0552 |
| R Factor (All) | 0.0825 |
| Weighted R Factor (Obs) | 0.1405 |
| Weighted R Factor (All) | 0.1583 |
Citation: Tomkinson, N and Coles, Simon J. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/307)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
