Sample Originator: A. Kilica, M. Odlyhab, A. Uslua, David B. Daviesb and R.A. Shawb.
Data Collection: Mark E. Lightc, Simon J. Colesc and Susanne. L. Huthc
Structure Determination: Simon J. Colesc, Michael B. Hursthouse and J.S. Rutherford.
Gebze Institute of Technologya
Birkbeck College, University of Londonb
University of Southamptonc
C3H6Cl4N3O2P3
InChI=1/C3H12Cl4N3O2P3/c4-13(5)8-14(6,7)10-15(9-13)11-2-1-3-12-15/h8-10,13-15H,1-3H2
| Identification Number: | 10.5258/ecrystals/300 |
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| Controlled Keywords: | cyclophosphazene, phase transition, variable temperature |
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| Date Created: | 28 March 2007 |
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| Deposited On: | 21 Apr 2008 15:56 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C3 H6 Cl4 N3 O2 P3 |
| Crystal morphology | Rod |
| Crystal system | Orthorhombic |
| Space group symbol | Pna2(1) |
| Cell length a | 13.4804(14) |
| Cell length b | 10.6442(9) |
| Cell length c | 8.8479(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 274(2) |
Refinement results
| Solution figure of merit | 0.0569 |
| R Factor (Obs) | 0.0334 |
| R Factor (All) | 0.0380 |
| Weighted R Factor (Obs) | 0.0871 |
| Weighted R Factor (All) | 0.0905 |
Citation: Kilic, A. and Odlyha, M. and Uslu, A. and Davies, David B. and Shaw, R.A. and Light, Mark E. and Coles, Simon J. and Huth, Susanne. L. and Hursthouse, Michael B. and Rutherford, J.S. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/300)
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