Sample Originator: David B. Daviesb, A. Kilicc and A. Usluc.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Birkbeck College, University of Londonb
Gebze Institute of Technologyc
C7H14Cl4N3O2P3
InChI=1/C7H20Cl4N3O2P3/c1-3-7(4-2)5-15-18(10)12-17(8,9)13-19(11,14-18)16-6-7/h12-14,17-19H,3-6H2,1-2H3
| Identification Number: | 10.5258/ecrystals/481 |
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| Date Created: | 05 July 2008 |
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| Deposited On: | 05 Jul 2008 20:21 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C7 H14 Cl4 N3 O2 P3 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.9483(5) |
| Cell length b | 12.1905(3) |
| Cell length c | 16.5233(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.189(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0366 |
| R Factor (Obs) | 0.0347 |
| R Factor (All) | 0.0561 |
| Weighted R Factor (Obs) | 0.0766 |
| Weighted R Factor (All) | 0.0851 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, A. and Uslu, A. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/481)
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