Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C4H6N2
InChI=1/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
| Identification Number: | 10.5258/ecrystals/549 |
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| Date Created: | 04 August 2008 |
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| Deposited On: | 16 Apr 2009 19:55 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C4 H6 N2 |
| Crystal morphology | Lath |
| Crystal system | orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 6.0084(8) |
| Cell length b | 8.1526(13) |
| Cell length c | 9.6903(13) |
| 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 | |
| R Factor (Obs) | 0.0534 |
| R Factor (All) | 0.0728 |
| Weighted R Factor (Obs) | 0.1264 |
| Weighted R Factor (All) | 0.1332 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/549)
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