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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
Controlled Keywords:iron, catalysis
Date Created:02 October 2003
Deposited On:08 Nov 2013 16:33
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC24 H14 Br2 Fe O2
Crystal morphology
Crystal systemMonoclinic
Space group symbolPc
Cell length a15.9575(4)
Cell length b8.8522(2)
Cell length c13.7492(3)
Cell angle alpha90.00
Cell angle beta101.9050(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0208
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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