03SRC648 - C24H14Br2FeO2
Sample Originator: Ian R. Butlera. Data Collection: Peter N. Hortonb and Michael B. Hursthouseb Structure Determination: Peter N. Hortonb. University of Wales, Bangora
University of Southamptonb
C24H14Br2FeO2 InChI=1/2C19H10BrO2.2C5H4Br.2Fe/c2*20-13-6-8-15-17(10-13)19(22)14-7-5-12(9-16(14)18(15)21)11-3-1-2-4-11;2*6-5-3-1-2-4-5;;/h2*1-10H;2*1-4H;; | Identification Number: | 10.5258/ecrystals/917 |
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| Controlled Keywords: | iron, catalysis |
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| Date Created: | 02 October 2003 |
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| Deposited On: | 08 Nov 2013 16:33 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C24 H14 Br2 Fe O2 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | Pc | | Cell length a | 15.9575(4) | | Cell length b | 8.8522(2) | | Cell length c | 13.7492(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 101.9050(10) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0208 | | R Factor (Obs) | 0.0445 | | R Factor (All) | 0.0538 | | Weighted R Factor (Obs) | 0.0999 | | Weighted R Factor (All) | 0.1057 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/917)
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