Sample Originator: David B. Daviesb and Adem Kilicc.
Data Collection: Simon J. Colesa
Structure Determination: Michael B. Hursthousea and Simon J. Colesa.
University of Southamptona
Birkbeck College, University of Londonb
Gebze Institute of Technologyc
C5H13Cl3N5OP3
InChI=1/4C5H19Cl3N5OP3/c4*1-2-9-16(8)11-15(6,7)12-17(13-16)10-4-3-5-14-17/h4*9-13,15-17H,2-5H2,1H3
| Identification Number: | 10.5258/ecrystals/414 |
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| Date Created: | 09 May 2008 |
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| Deposited On: | 09 May 2008 00:39 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C5 H13 Cl3 N5 O P3 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)n |
| Cell length a | 18.3051(5) |
| Cell length b | 8.13900(10) |
| Cell length c | 39.2691(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 101.6620(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0537 |
| R Factor (Obs) | 0.0542 |
| R Factor (All) | 0.1003 |
| Weighted R Factor (Obs) | 0.1145 |
| Weighted R Factor (All) | 0.1337 |
Citation: Hursthouse, Michael B. and Coles, Simon J. and Davies, David B. and Kilic, Adem (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/414)
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