Sample Originator: John Spencera.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C22H25ClN5OPPd
InChI=1/C16H13N2O.C6H12N3P.ClH.Pd/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12;1-7-2-9-3-8(1)5-10(4-7)6-9;;/h2-7,9-10H,11H2,1H3;1-6H2;1H;/q-1;;;+1/b16-12-;;;
| Identification Number: | 10.5258/ecrystals/641 |
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| Date Created: | 09 February 2009 |
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| Deposited On: | 09 Apr 2009 10:57 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C22 H25 Cl N5 O P Pd |
| Crystal morphology | Lath |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.8363(4) |
| Cell length b | 10.2749(3) |
| Cell length c | 11.6567(5) |
| Cell angle alpha | 86.643(3) |
| Cell angle beta | 86.468(2) |
| Cell angle gamma | 86.435(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0532 |
| R Factor (All) | 0.0686 |
| Weighted R Factor (Obs) | 0.1018 |
| Weighted R Factor (All) | 0.1097 |
Citation: Spencer, John and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/641)
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