Sample Originator: James H. R. Tuckera.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Birminghama
University of Southamptonb
C23H19FeN3O2
InChI=1/2C18H14N3O2.C5H7.C5H5.2Fe/c2*22-17(13-7-2-1-3-8-13)20-15-11-6-12-16(19-15)21-18(23)14-9-4-5-10-14;2*1-2-4-5-3-1;;/h2*1-12H,(H2,19,20,21,22,23);1-2,5H,3-4H2;1-5H;;
| Date Created: | 05 May 2000 |
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| Deposited On: | 23 Dec 2014 13:06 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C23 H19 Fe N3 O2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.5628(5) |
| Cell length b | 12.1797(5) |
| Cell length c | 14.6529(8) |
| Cell angle alpha | 80.292(2) |
| Cell angle beta | 72.282(2) |
| Cell angle gamma | 81.472(2) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0664 |
| R Factor (All) | 0.1844 |
| Weighted R Factor (Obs) | 0.1176 |
| Weighted R Factor (All) | 0.1567 |
Citation: Tucker, James H. R. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/730/)
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