Sample Originator: David B. Daviesb and Adem Kilicc.
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
C6H12Cl6N6O4P6
InChI=1/C3H11Cl3N3O2P3/c4-12-7-13(5,6)9-14(8-12)10-2-1-3-11-14/h7-9,13-14H,1-3H2
| Identification Number: | 10.5258/ecrystals/408 |
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| Date Created: | 08 May 2008 |
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| Deposited On: | 08 May 2008 23:27 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C6 H12 Cl6 N6 O4 P6 |
| Crystal morphology | Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.0877(2) |
| Cell length b | 8.4452(2) |
| Cell length c | 9.3069(2) |
| Cell angle alpha | 104.5170(10) |
| Cell angle beta | 101.3800(10) |
| Cell angle gamma | 114.9510(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0287 |
| R Factor (Obs) | 0.0292 |
| R Factor (All) | 0.0312 |
| Weighted R Factor (Obs) | 0.0777 |
| Weighted R Factor (All) | 0.0786 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Davies, David B. and Kilic, Adem (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/408)
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