Sample Originator: Arthur Connella and Peter J. Hollimana.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C12H8FeN2
InChI=1/C7H3N2.C5H5.Fe/c8-4-6-2-1-3-7(6)5-9;1-2-4-5-3-1;/h1-3H;1-5H;
| Identification Number: | 10.5258/ecrystals/341 |
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| Date Created: | 11 July 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Louise Male |
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Data collection parameters
| Chemical formula | C12 H8 Fe N2 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P 2(1)/m |
| Cell length a | 6.5148(3) |
| Cell length b | 11.4581(5) |
| Cell length c | 6.8511(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 111.601(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0470 |
| R Factor (All) | 0.0518 |
| Weighted R Factor (Obs) | 0.1137 |
| Weighted R Factor (All) | 0.1295 |
Citation: Connell, Arthur and Holliman, Peter J. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/341)
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