Sample Originator: David B. Daviesb, A. Kilicc and A. Usluc.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Birkbeck College, University of Londonb
Gebze Institute of Technologyc
C3H4BrCl4N4O4P3
InChI=1/C3H11BrCl4N4O4P3/c4-3(12(13)14)1-15-19(16-2-3)10-17(5,6)9-18(7,8)11-19/h9-11,17-19H,1-2H2,(H,13,14)
| Identification Number: | 10.5258/ecrystals/487 |
|---|
| Date Created: | 06 July 2008 |
|---|
| Deposited On: | 06 Jul 2008 19:58 |
|---|
| Deposited By: | Dr Simon J Coles |
|---|
Data collection parameters
| Chemical formula | C3 H4 Br Cl4 N4 O4 P3 |
| Crystal morphology | Slab |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 13.0288(4) |
| Cell length b | 12.2797(4) |
| Cell length c | 18.0331(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 | 0.0472 |
| R Factor (Obs) | 0.0384 |
| R Factor (All) | 0.0559 |
| Weighted R Factor (Obs) | 0.0902 |
| Weighted R Factor (All) | 0.0981 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, A. and Uslu, A. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/487)
Export as: oreChem EndNote BibTeX ASCII Citation
