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
C4H8Cl4N3O2P3
InChI=1/C4H14Cl4N3O2P3/c1-4-2-12-15(7)9-14(5,6)10-16(8,11-15)13-3-4/h4,9-11,14-16H,2-3H2,1H3
| Identification Number: | 10.5258/ecrystals/485 |
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| Date Created: | 06 July 2008 |
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| Deposited On: | 06 Jul 2008 19:40 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C4 H8 Cl4 N3 O2 P3 |
| Crystal morphology | Blade |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 12.3344(4) |
| Cell length b | 13.3334(2) |
| Cell length c | 15.9953(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0451 |
| R Factor (Obs) | 0.0318 |
| R Factor (All) | 0.0489 |
| Weighted R Factor (Obs) | 0.0726 |
| Weighted R Factor (All) | 0.0804 |
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/485)
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