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04SRC550 - C29H49Cl5FeP2Pd

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

C29H49Cl5FeP2Pd

InChI=1/C23H43P2.C5H5.2CH4.8ClH.Fe.Pd.H2/c1-20(2,3)24(21(4,5)6)16-18-14-13-15-19(18)17-25(22(7,8)9)23(10,11)12;1-2-4-5-3-1;;;;;;;;;;;;;/h13-15H,16-17H2,1-12H3;1-5H;2*1H4;8*1H;;;1H

Identification Number:10.5258/ecrystals/919
Controlled Keywords:iron, palladium compounds, catalysis
Date Created:13 July 2004
Deposited On:08 Nov 2013 16:40
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC29 H49 Cl5 Fe P2 Pd
Crystal morphologyShard
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a11.5254(9)
Cell length b14.3958(11)
Cell length c20.4783(12)
Cell angle alpha90.00
Cell angle beta95.396(6)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0492
R Factor (Obs)0.0366
R Factor (All)0.0651
Weighted R Factor (Obs)0.0681
Weighted R Factor (All)0.0765

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/919)
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