Sample Originator: Martin B. Smitha.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Loughborough Universitya
University of Southamptonb
C40H36Cl2N4P2Pd2S2 . 0 . 5(CH2Cl2)
InChI=1/2C19H15N2PS.CH2Cl2.2CH3.2ClH.2Pd/c2*1-3-9-15(10-4-1)22(16-11-5-2-6-12-16)21-19-20-17-13-7-8-14-18(17)23-19;2-1-3;;;;;;/h2*1-14H,(H,20,21);1H2;2*1H3;2*1H;;
| Identification Number: | 10.5258/ecrystals/1025 |
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| Controlled Keywords: | palladium compounds |
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| Date Created: | 30 January 2001 |
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| Deposited On: | 10 Jun 2013 17:18 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C40.5 H37 Cl3 N4 P2 Pd2 S2 |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.7364(19) |
| Cell length b | 13.149(3) |
| Cell length c | 15.993(3) |
| Cell angle alpha | 90.42(3) |
| Cell angle beta | 99.76(3) |
| Cell angle gamma | 91.45(3) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0548 |
| R Factor (All) | 0.1197 |
| Weighted R Factor (Obs) | 0.1186 |
| Weighted R Factor (All) | 0.1394 |
Citation: Smith, Martin B. and Coles, Simon J. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1025)
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