Sample Originator: R. A. Shawa, David B. Daviesa, A. Kilicb and H Ibisoglub.
Data Collection: Simon J. Colesc
Structure Determination: Simon J. Colesc and Michael B. Hursthouse.
Birkbeck College, University of Londona
Gebze Institute of Technologyb
University of Southamptonc
C15H25Cl8N9P6S
InChI=1/C15H37Cl8N9P6S/c1-13-6-7-15(14(2)12-13)39-38(30-35(20,21)27-36(22,23)31-38)25-8-3-4-10-32-11-5-9-24-37(32)28-33(16,17)26-34(18,19)29-37/h6-7,12,24-31,33-38H,3-5,8-11H2,1-2H3
| Identification Number: | 10.5258/ecrystals/336 |
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| Date Created: | 21 November 2000 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Depositor Comments
To be submitted to Acta E
Data collection parameters
| Chemical formula | C15 H25 Cl8 N9 P6 S |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 8.5829(17) |
| Cell length b | 15.587(3) |
| Cell length c | 25.277(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 | 0.0486 |
| R Factor (Obs) | 0.0453 |
| R Factor (All) | 0.0665 |
| Weighted R Factor (Obs) | 0.1003 |
| Weighted R Factor (All) | 0.1127 |
Citation: Shaw, R. A. and Davies, David B. and Kilic, A. and Ibisoglu, H and Coles, Simon J. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/336)
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