Sample Originator: A. Kilicb and David B. Daviesc.
Data Collection: Simon J. Coles
Structure Determination: Simon J. Coles and Michael B. Hursthousea.
University of Southamptona
Gebze Institute of Technologyb
Birkbeck College, University of Londonc
C12H48Cl8N6O4P6
InChI=1/2C12H36Cl8N6O4P6/c2*13-31(14)21-33(17)25-35(19,23-31)29-11-7-3-4-8-12-30-36(20)24-32(15,16)22-34(18,26-36)28-10-6-2-1-5-9-27-33/h2*21-26,31-36H,1-12H2
| Identification Number: | 10.5258/ecrystals/717 |
|---|
| Date Created: | 14 June 2009 |
|---|
| Deposited On: | 14 Jun 2009 21:49 |
|---|
| Deposited By: | Dr Simon J Coles |
|---|
Data collection parameters
| Chemical formula | C12 H24 Cl8 N6 O4 P6 |
| Crystal morphology | Blade |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.1145(4) |
| Cell length b | 10.9859(5) |
| Cell length c | 15.0878(6) |
| Cell angle alpha | 72.775(3) |
| Cell angle beta | 72.933(3) |
| Cell angle gamma | 73.224(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0387 |
| R Factor (Obs) | 0.0592 |
| R Factor (All) | 0.1117 |
| Weighted R Factor (Obs) | 0.1106 |
| Weighted R Factor (All) | 0.1288 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Kilic, A. and Davies, David B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/717)
Export as: oreChem EndNote BibTeX ASCII Citation
