Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C7H18N2O6
InChI=1/C5H14N2.C2H2O4.2H2O/c1-7-4-2-6-3-5-7;3-1(4)2(5)6;;/h7H,2-6H2,1H3;(H,3,4)(H,5,6);2*1H2
| Identification Number: | 10.5258/ecrystals/566 |
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| Date Created: | 07 August 2008 |
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| Deposited On: | 14 Apr 2009 20:41 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7 H18 N2 O6 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21 |
| Cell length a | 8.2165(4) |
| Cell length b | 7.0534(5) |
| Cell length c | 10.0677(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.266(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0344 |
| R Factor (All) | 0.0462 |
| Weighted R Factor (Obs) | 0.0761 |
| Weighted R Factor (All) | 0.0788 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/566)
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