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C~45.5~H~46~Cl~2~Fe~2~O~3~P~2~Pd

Sample Originator: Ian R. Butlera.

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

Structure Determination: Simon J. Colesb.

University of Wales, Bangora
University of Southamptonb

C45.5H46Cl2Fe2O3P2Pd

InChI=1/C13H15P.C6H5O.C4H8O.C3H8.CH4.ClH.Fe.Pd.3H2/c1-2-14(13-10-6-7-11-13)12-8-4-3-5-9-12;7-5-6-3-1-2-4-6;1-3-4(2)5-3;1-3-2;;;;;;;/h3-11,13H,2H2,1H3;1-5H;3-4H,1-2H3;3H2,1-2H3;1H4;1H;;;3*1H/t;;3-,4?;;;;;;;;/m..0......../s1

Identification Number:10.5258/ecrystals/1194
Controlled Keywords:palladium compounds, iron compounds
Date Created:16 May 1994
Deposited On:16 Feb 2010 13:34
Deposited By:Mr Steve Lamond

Depositor Comments

The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.

Data collection parameters

Chemical formulaC45.5 H46 Cl2 Fe2 O3 P2 Pd
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.697(3)
Cell length b10.0628(13)
Cell length c13.213(2)
Cell angle alpha105.157(14)
Cell angle beta97.17(2)
Cell angle gamma112.543(9)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0514
R Factor (All)0.0530
Weighted R Factor (Obs)0.1560
Weighted R Factor (All)0.1579

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1194)
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