Sample Originator: Robin B. Bedforda.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Bristol Universitya
University of Southamptonb
C55H44Cl4O6P2Pd
InChI=1/C54H45O6P2.CHCl3.ClH.Pd/c1-53(2,3)41-31-42(54(4,5)6)48(60-62-57-45-29-25-35-17-9-13-21-39(35)51(45)52-40-22-14-10-18-36(40)26-30-46(52)58-62)32-47(41)59-61-55-43-27-23-33-15-7-11-19-37(33)49(43)50-38-20-12-8-16-34(38)24-28-44(50)56-61;2-1(3)4;;/h7-31,61-62H,1-6H3;1H;1H;/q+2;;;-1/p-1
| Controlled Keywords: | palladium compounds, catalysis |
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| Date Created: | 11 October 2004 |
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| Deposited On: | 16 Feb 2010 16:05 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C55 H44 Cl4 O6 P2 Pd |
| Crystal morphology | Shard |
| Crystal system | monoclinic |
| Space group symbol | P21 |
| Cell length a | 11.268(3) |
| Cell length b | 20.164(3) |
| Cell length c | 11.420(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 109.820(15) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0381 |
| R Factor (Obs) | 0.1121 |
| R Factor (All) | 0.1246 |
| Weighted R Factor (Obs) | 0.3015 |
| Weighted R Factor (All) | 0.3115 |
Citation: Bedford, Robin B. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1091/)
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