02SRC242 - C19H29Cl6FeIN2
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
C19H29Cl6FeIN2 InChI=1/C12H22N2.C5H6.2CHCl3.Fe.HI/c1-13(2)9-11-7-6-8-12(11)10-14(3,4)5;1-2-4-5-3-1;2*2-1(3)4;;/h6-8H,9-10H2,1-5H3;1-4H,5H2;2*1H;;1H | Identification Number: | 10.5258/ecrystals/908 |
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| Controlled Keywords: | iron, ferrocene compounds, catalysis |
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| Date Created: | 10 May 2002 |
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| Deposited On: | 24 Sep 2013 22:02 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C19 H29 Cl6 Fe I N2 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 13.853(4) | | Cell length b | 12.661(4) | | Cell length c | 16.390(4) | | Cell angle alpha | 90.000 | | Cell angle beta | 105.906(2) | | Cell angle gamma | 90.000 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.1784 | | R Factor (Obs) | 0.0563 | | R Factor (All) | 0.1014 | | Weighted R Factor (Obs) | 0.1323 | | Weighted R Factor (All) | 0.1527 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/908)
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