Sample Originator: John Spencera and Hiren Patela.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C10H20N4O6S2
InChI=1/C9H15N4O2S.CH4O3S.H2O/c1-16(14,15)13-7-5-12(6-8-13)9-10-3-2-4-11-9;1-5(2,3)4;/h2-4,10H,5-8H2,1H3;1H3,(H,2,3,4);1H2
| Identification Number: | 10.5258/ecrystals/628 |
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| Date Created: | 13 January 2009 |
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| Deposited On: | 14 Apr 2009 19:37 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H20 N4 O6 S2 |
| Crystal morphology | Lath |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 13.2331(6) |
| Cell length b | 11.7105(6) |
| Cell length c | 10.2193(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.664(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0893 |
| R Factor (All) | 0.1496 |
| Weighted R Factor (Obs) | 0.1383 |
| Weighted R Factor (All) | 0.1625 |
Citation: Spencer, John and Patel, Hiren and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/628)
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