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
C9H15Cl2F4N4O3P3
InChI=1/C9H21Cl2F4N4O3P3/c1-20-25(19-4-2-3-5-19)17-23(10)16-24(11,18-25)22-7-9(14,15)8(12,13)6-21-23/h16-18,23-25H,2-7H2,1H3
| Identification Number: | 10.5258/ecrystals/874 |
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| Controlled Keywords: | phosphazenes |
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| Date Created: | 10 June 2002 |
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| Deposited On: | 28 Mar 2012 13:06 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C9 H15 Cl2 F4 N4 O3 P3 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 8.2682(2) |
| Cell length b | 13.1798(4) |
| Cell length c | 16.1482(5) |
| 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 | |
| R Factor (Obs) | 0.0322 |
| R Factor (All) | 0.0408 |
| Weighted R Factor (Obs) | 0.0746 |
| Weighted R Factor (All) | 0.0789 |
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/874)
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