Sample Originator: Sarah Barnesa and Peter J. Hollimana.
Data Collection: Louise Maleb
Structure Determination: Louise Maleb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C18H11ClFeN2
InChI=1/2C13H6ClN2.2C5H5.2Fe/c2*14-13-6-11(8-16)10(7-15)5-12(13)9-3-1-2-4-9;2*1-2-4-5-3-1;;/h2*1-6H;2*1-5H;;
| Identification Number: | 10.5258/ecrystals/350 |
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| Date Created: | 09 August 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 | C18 H11 Cl Fe N2 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P 2(1)/c |
| Cell length a | 7.3730(5) |
| Cell length b | 13.2476(10) |
| Cell length c | 30.324(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.123(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0617 |
| R Factor (All) | 0.1121 |
| Weighted R Factor (Obs) | 0.1066 |
| Weighted R Factor (All) | 0.1245 |
Citation: Barnes, Sarah and Holliman, Peter J. and Male, Louise and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/350)
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