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
C46H64N6O14P6
InChI=1/C23H40N3O7P3/c1-3-31-36-25-34(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-35(26-36,27-2)32-20-18-29-16-14-28-15-17-30-19-21-33-36/h4-13,24-26,34-36H,3,14-21H2,1-2H3
| Controlled Keywords: | phosphazenes |
|---|
| Date Created: | 26 February 2001 |
|---|
| Deposited On: | 16 Feb 2010 12:39 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C46 H64 N6 O14 P6 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.255(2) |
| Cell length b | 11.320(2) |
| Cell length c | 12.800(3) |
| Cell angle alpha | 83.74(3) |
| Cell angle beta | 72.10(3) |
| Cell angle gamma | 66.53(3) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0534 |
| R Factor (All) | 0.0718 |
| Weighted R Factor (Obs) | 0.134 |
| Weighted R Factor (All) | 0.146 |
Citation: Shaw, Robert A. and Davies, David B. and Coles, Simon J. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/781/)
Export as: oreChem EndNote BibTeX ASCII Citation
