Sample Originator: David B. Daviesa, A. Kilicb and S Beslib.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Colesc and Michael B. Hursthouse.
Birkbeck College, University of Londona
Gebze Institute of Technologyb
University of Southamptonc
C6H4Cl4F8N3O2P3
InChI=1/C6H10Cl4F8N3O2P3/c7-24(8)19-25(9)21-26(10,20-24)23-2-4(13,14)6(17,18)5(15,16)3(11,12)1-22-25/h19-21,24-26H,1-2H2
| Identification Number: | 10.5258/ecrystals/267 |
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| Date Created: | 20 February 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C6 H4 Cl4 F8 N3 O2 P3 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 6.0475(4) |
| Cell length b | 27.1376(15) |
| Cell length c | 10.4986(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 96.177(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0522 |
| R Factor (Obs) | 0.0633 |
| R Factor (All) | 0.0771 |
| Weighted R Factor (Obs) | 0.1287 |
| Weighted R Factor (All) | 0.1381 |
Citation: Davies, David B. and Kilic, A. and Besli, S and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/267)
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