Sample Originator: Martin B. Smitha.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Loughborough Universitya
University of Southamptonb
C21H20ClN2PPdS
InChI=1/C20H17N2PS.CH3.ClH.Pd/c1-15-9-8-14-18-19(15)21-20(24-18)22-23(16-10-4-2-5-11-16)17-12-6-3-7-13-17;;;/h2-14H,1H3,(H,21,22);1H3;1H;
| Controlled Keywords: | palladium compounds |
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| Date Created: | 02 February 2001 |
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| Deposited On: | 16 Feb 2010 11:52 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C21 H20 Cl N2 P Pd S |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.7501(16) |
| Cell length b | 9.3637(19) |
| Cell length c | 14.660(3) |
| Cell angle alpha | 83.37(3) |
| Cell angle beta | 79.63(3) |
| Cell angle gamma | 88.23(3) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0321 |
| R Factor (All) | 0.0369 |
| Weighted R Factor (Obs) | 0.0806 |
| Weighted R Factor (All) | 0.0837 |
Citation: Smith, Martin B. and Coles, Simon J. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1026/)
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