Sample Originator: A. Kilicb and David B. Daviesc.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Gebze Institute of Technologyb
Birkbeck College, University of Londonc
C6H12Cl10N6O2P6
InChI=1/C6H24Cl10N6O2P6/c7-25(8)17-26(9,10)20-29(15,19-25)23-5-3-1-2-4-6-24-30(16)21-27(11,12)18-28(13,14)22-30/h17-22,25-30H,1-6H2
| Identification Number: | 10.5258/ecrystals/715 |
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| Date Created: | 14 June 2009 |
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| Deposited On: | 14 Jun 2009 21:21 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C6 H12 Cl10 N6 O2 P6 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 30.8593(6) |
| Cell length b | 6.01090(10) |
| Cell length c | 14.3854(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.7780(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0369 |
| R Factor (Obs) | 0.0827 |
| R Factor (All) | 0.0868 |
| Weighted R Factor (Obs) | 0.2196 |
| Weighted R Factor (All) | 0.2211 |
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/715)
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