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
C5H10Cl4N3O2P3
InChI=1/C3H12Cl4N3O2P3.2CH4.10H2/c4-13(5)8-14(6)10-15(7,9-13)12-3-1-2-11-14;;;;;;;;;;;;/h8-10,13-15H,1-3H2;2*1H4;10*1H
| Identification Number: | 10.5258/ecrystals/483 |
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| Date Created: | 05 July 2008 |
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| Deposited On: | 05 Jul 2008 20:57 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C5 H10 Cl4 N3 O2 P3 |
| Crystal morphology | Rod |
| Crystal system | Orthorhombic |
| Space group symbol | Pnnm |
| Cell length a | 11.5390(9) |
| Cell length b | 12.4271(8) |
| Cell length c | 9.9748(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 | 0.0781 |
| R Factor (Obs) | 0.0232 |
| R Factor (All) | 0.0261 |
| Weighted R Factor (Obs) | 0.0663 |
| Weighted R Factor (All) | 0.0690 |
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/483)
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