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
C14H29Cl2N9O7P6
InChI=1/C6H20N5O4P3.C2H5Cl.CH3Cl/c7-16(12)9-17(8-3-1-4-13-17)11-18(10-16)14-5-2-6-15-18;1-2-3;1-2/h8,11,17-18H,1-6H2,(H4,7,9,10,12);2H2,1H3;1H3/t16-;;/m0../s1
| Identification Number: | 10.5258/ecrystals/413 |
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| Date Created: | 09 May 2008 |
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| Deposited On: | 09 May 2008 00:28 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C14 H29 Cl2 N9 O7 P6 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 32.138(2) |
| Cell length b | 8.5084(6) |
| Cell length c | 11.6735(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 110.275(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0986 |
| R Factor (Obs) | 0.1412 |
| R Factor (All) | 0.2595 |
| Weighted R Factor (Obs) | 0.2154 |
| Weighted R Factor (All) | 0.2590 |
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/413)
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