02src333 - C29H27FeN
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
C29H27FeN InChI=1/C24H22N.C5H5.Fe/c1-25(2)17-21-11-7-10-18(21)14-15-24-22-12-5-3-8-19(22)16-20-9-4-6-13-23(20)24;1-2-4-5-3-1;/h3-16H,17H2,1-2H3;1-5H;/b15-14+;; | Identification Number: | 10.5258/ecrystals/911 |
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| Controlled Keywords: | iron, ferrocene compounds, catalysis |
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| Date Created: | 24 May 2002 |
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| Deposited On: | 28 Mar 2012 13:02 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C29 H27 Fe N | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 18.1092(14) | | Cell length b | 9.6385(6) | | Cell length c | 12.7261(7) | | Cell angle alpha | 90.00 | | Cell angle beta | 102.100(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.9240 | | R Factor (Obs) | 0.1849 | | R Factor (All) | 0.2344 | | Weighted R Factor (Obs) | 0.4408 | | Weighted R Factor (All) | 0.4644 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/911)
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