Sample Originator: David B. Daviesa, S. Beslib and A. Kilicb.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Colesc and Michael B. Hursthousec.
Birkbeck College, University of Londona
Gebze Institute of Technologyb
University of Southamptonc
C10H15Cl3N5OP3
InChI=1/4C10H21Cl3N5OP3/c4*1-18-9-5-8-14-22(18)16-20(11,12)15-21(13,17-22)19-10-6-3-2-4-7-10/h4*2-4,6-7,14-17,20-22H,5,8-9H2,1H3
| Identification Number: | 10.5258/ecrystals/346 |
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| Date Created: | 02 August 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C10 H15 Cl3 N5 O P3 |
| Crystal morphology | Prism |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 9.68270(10) |
| Cell length b | 22.3776(2) |
| Cell length c | 16.0124(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.8460(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0552 |
| R Factor (Obs) | 0.0316 |
| R Factor (All) | 0.0345 |
| Weighted R Factor (Obs) | 0.0696 |
| Weighted R Factor (All) | 0.0714 |
Citation: Davies, David B. and Besli, S. and Kilic, A. and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/346)
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