C~40~H~32~Br~2~Fe~2~N~4~Ni, 3(CHCl~3~)

Sample Originator: Ian R. Butlera.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University College of North Walesa
University of Southamptonb



Controlled Keywords:ferrocene compounds, catalysis
Date Created:02 February 2006
Deposited On:12 Jun 2014 14:30
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. The crystals were twinned (180 about -1 0 0 direct axis) at 41.4%

Data collection parameters

Chemical formulaC43 H35 Br2 Cl9 Fe2 N4 Ni
Crystal morphologyBlock
Crystal systemtriclinic
Space group symbolP-1
Cell length a12.605(9)
Cell length b12.979(10)
Cell length c16.011(12)
Cell angle alpha89.829(3)
Cell angle beta86.600(4)
Cell angle gamma64.693(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit12.76
R Factor (Obs)0.1109
R Factor (All)0.2071
Weighted R Factor (Obs)0.2258
Weighted R Factor (All)0.2874

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1112/)
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