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
C9H10Cl4N3O2P3
InChI=1/C9H16Cl4N3O2P3/c10-19(11)14-20(12,13)16-21(15-19)17-6-9(7-18-21)8-4-2-1-3-5-8/h1-5,9,14-16,19-21H,6-7H2
| Identification Number: | 10.5258/ecrystals/486 |
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| Date Created: | 06 July 2008 |
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| Deposited On: | 06 Jul 2008 19:50 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C9 H10 Cl4 N3 O2 P3 |
| Crystal morphology | Plate |
| Crystal system | Orthorhombic |
| Space group symbol | Pna2(1) |
| Cell length a | 23.2125(7) |
| Cell length b | 9.1684(2) |
| Cell length c | 7.6006(2) |
| 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 | 0.0607 |
| R Factor (Obs) | 0.0309 |
| R Factor (All) | 0.0373 |
| Weighted R Factor (Obs) | 0.0657 |
| Weighted R Factor (All) | 0.0684 |
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/486)
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