Sample Originator: Ian R. Butlera.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Wales, Bangora
University of Southamptonb
C19H15FeNO
InChI=1/2C14H11NO.C5H7.C5H6.2Fe/c2*16-13-7-3-6-11-8-9-12(15-14(11)13)10-4-1-2-5-10;2*1-2-4-5-3-1;;/h2*1,3-9,16H,2H2;1-2,5H,3-4H2;1-4H,5H2;;
| Identification Number: | 10.5258/ecrystals/1202 |
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| Controlled Keywords: | iron compounds |
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| Date Created: | 01 October 2005 |
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| Deposited On: | 16 Feb 2010 13:14 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C19 H15 Fe N O |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.608(5) |
| Cell length b | 12.1123(12) |
| Cell length c | 19.7719(18) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.771(12) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0477 |
| R Factor (All) | 0.1104 |
| Weighted R Factor (Obs) | 0.0852 |
| Weighted R Factor (All) | 0.0923 |
Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1202)
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