Sample Originator: Robert. A. Shawa and David B. Daviesa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Birkbeck College, University of Londona
University of Southamptonb
C12H16ClF8N4O4P3
InChI=1/C6H13ClF4N3O2P2/c1-2-13-17(7)14-18(12)15-3-5(8,9)6(10,11)4-16-18/h13-14,18H,1-4,12H2
| Identification Number: | 10.5258/ecrystals/873 |
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| Controlled Keywords: | phosphazenes |
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| Date Created: | 21 May 2002 |
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| Deposited On: | 28 Mar 2012 13:00 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C12 H16 Cl F8 N4 O4 P3 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Cmc2(1) |
| Cell length a | 20.1599(10) |
| Cell length b | 11.7656(6) |
| Cell length c | 8.7964(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0413 |
| R Factor (All) | 0.0568 |
| Weighted R Factor (Obs) | 0.0967 |
| Weighted R Factor (All) | 0.1053 |
Citation: Shaw, Robert. A. and Davies, David B. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/873)
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