Sample Originator: Martin B. Smitha.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Loughborough Universitya
University of Southamptonb
C20H17Cl2N2PPdS
InChI=1/3C19H14ClN2PS.3CH3.3ClH.3Pd/c3*20-14-11-12-17-18(13-14)24-19(21-17)22-23(15-7-3-1-4-8-15)16-9-5-2-6-10-16;;;;;;;;;/h3*1-13H,(H,21,22);3*1H3;3*1H;;;
| Identification Number: | 10.5258/ecrystals/1014 |
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| Controlled Keywords: | phosphorus compounds, metal ligands, palladium compounds |
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| Date Created: | 16 January 2001 |
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| Deposited On: | 17 Dec 2009 15:35 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were placed in idealised positions and refiend using a riding model.
Data collection parameters
| Chemical formula | C20 H17 Cl2 N2 P Pd S |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 21.0715(3) |
| Cell length b | 8.19620(10) |
| Cell length c | 35.2981(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.2190(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0452 |
| R Factor (All) | 0.0835 |
| Weighted R Factor (Obs) | 0.0883 |
| Weighted R Factor (All) | 0.0988 |
Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1014)
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