Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C10H16N4O5
InChI=1/C4H7N2.C2H2O4.H2O/c1-4-2-5-3-6-4;3-1(4)2(5)6;/h2-3,5-6H,1H3;3,5H;1H2/q;-2;/p-2
| Identification Number: | 10.5258/ecrystals/490 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 21:51 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H16 N4 O5 |
| Crystal morphology | Fragment |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 9.1937(6) |
| Cell length b | 13.5734(6) |
| Cell length c | 10.5047(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.252(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0485 |
| R Factor (All) | 0.0664 |
| Weighted R Factor (Obs) | 0.1051 |
| Weighted R Factor (All) | 0.1131 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/490)
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