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C~34~H~38~BrFeN~2~PPd

Sample Originator: Ian R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University College of North Walesa
University of Southamptonb

C34H38BrFeN2PPd

InChI=1/C18H15P.C11H19N2.C5H6.BrH.Fe.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)8-10-6-5-7-11(10)9-13(3)4;1-2-4-5-3-1;;;/h1-15H;6H,5,8-9H2,1-4H3;1-4H,5H2;1H;;

Controlled Keywords:ferrocene compounds, palladium compounds
Date Created:07 September 2005
Deposited On:14 Aug 2013 23:02
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC34 H38 Br Fe N2 P Pd
Crystal morphologyPlate
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.9069(3)
Cell length b12.5182(4)
Cell length c15.4402(4)
Cell angle alpha102.122(2)
Cell angle beta94.763(2)
Cell angle gamma101.8130(10)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0400
R Factor (Obs)0.0644
R Factor (All)0.0919
Weighted R Factor (Obs)0.1584
Weighted R Factor (All)0.1712

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1107/)
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