Sample Originator: Abdurrahaman Sengulb.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Karaelmas Universityb
C12H6N4
InChI=1/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H
| Identification Number: | 10.5258/ecrystals/624 |
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| Date Created: | 12 January 2009 |
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| Deposited On: | 12 Jan 2009 18:14 |
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| Deposited By: | Dr Simon J Coles |
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Depositor Comments
Low temperature collection of KOBSID
Data collection parameters
| Chemical formula | C12 H6 N4 |
| Crystal morphology | Blade |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 3.74770(10) |
| Cell length b | 10.0209(3) |
| Cell length c | 12.8933(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.718(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0268 |
| R Factor (Obs) | 0.0583 |
| R Factor (All) | 0.0612 |
| Weighted R Factor (Obs) | 0.1326 |
| Weighted R Factor (All) | 0.1361 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Sengul, Abdurrahaman (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/624)
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