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 |
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| Controlled Keywords: | palladium compounds, iron compounds |
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| Date Created: | 16 May 1994 |
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| Deposited On: | 16 Feb 2010 13:34 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C45.5 H46 Cl2 Fe2 O3 P2 Pd |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.697(3) |
| Cell length b | 10.0628(13) |
| Cell length c | 13.213(2) |
| Cell angle alpha | 105.157(14) |
| Cell angle beta | 97.17(2) |
| Cell angle gamma | 112.543(9) |
| Data collection temperature | 120(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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