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 |
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| Date Created: | 07 September 2005 |
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| Deposited On: | 14 Aug 2013 23:02 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C34 H38 Br Fe N2 P Pd |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.9069(3) |
| Cell length b | 12.5182(4) |
| Cell length c | 15.4402(4) |
| Cell angle alpha | 102.122(2) |
| Cell angle beta | 94.763(2) |
| Cell angle gamma | 101.8130(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0400 |
| 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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