Sample Originator: R.A. Shawa and David B. Daviesa.
Data Collection: Simon J. Colesb
Structure Determination: Simon J. Colesb.
Birkbeck College, University of Londona
University of Southamptonb
C16H25Cl3N5P3
InChI=1/C16H31Cl3N5P3/c17-26(18)20-25(16-10-4-1-5-11-16,23-12-6-2-7-13-23)21-27(19,22-26)24-14-8-3-9-15-24/h1,4-5,10-11,20-22,25-27H,2-3,6-9,12-15H2
| Identification Number: | 10.5258/ecrystals/305 |
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| Controlled Keywords: | cyclophosphazene |
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| Date Created: | 28 March 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C16 H25 Cl3 N5 P3 |
| Crystal morphology | Cut Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.4791(2) |
| Cell length b | 10.2283(2) |
| Cell length c | 11.4144(3) |
| Cell angle alpha | 88.423(2) |
| Cell angle beta | 78.172(2) |
| Cell angle gamma | 79.694(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0480 |
| R Factor (Obs) | 0.0316 |
| R Factor (All) | 0.0368 |
| Weighted R Factor (Obs) | 0.0787 |
| Weighted R Factor (All) | 0.0818 |
Citation: Shaw, R.A. and Davies, David B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/305)
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