97SRC237 - C25H15ClFeO2
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
C25H15ClFeO2 InChI=1/C19H10ClO2.C5H5.Fe/c20-13-6-8-15-17(10-13)19(22)14-7-5-12(9-16(14)18(15)21)11-3-1-2-4-11;1-2-4-5-3-1;/h1-10H;1-5H; | Identification Number: | 10.5258/ecrystals/1039 |
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| Controlled Keywords: | iron compounds, ferrocene compounds |
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| Date Created: | 08 October 1997 |
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| Deposited On: | 28 Mar 2012 12:55 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C24 H15 Cl Fe O2 | | Crystal morphology | | | Crystal system | Orthorhombic | | Space group symbol | Pbca | | Cell length a | 7.594(3) | | Cell length b | 15.1770(12) | | Cell length c | 31.13(2) | | Cell angle alpha | 90.00 | | Cell angle beta | 90.00 | | Cell angle gamma | 90.00 | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0375 | | R Factor (All) | 0.3225 | | Weighted R Factor (Obs) | 0.0572 | | Weighted R Factor (All) | 0.1060 |
Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1997) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1039)
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