Sample Originator: John Spencera.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C32H31NO2PPdS
InChI=1/C18H15P.C9H6NS.C6H14.C2H4O2.Pd/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10-8(4-1)9-5-3-7-11-9;1-3-5-6-4-2;1-2(3)4;/h1-15H;1-4,6-7H;3-6H2,1-2H3;3H,1H3;/q;-1;;-1;+1/b;9-8+;;;
| Identification Number: | 10.5258/ecrystals/664 |
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| Date Created: | 30 March 2009 |
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| Deposited On: | 09 Apr 2009 10:35 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C32 H31 N O2 P Pd S |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 9.48390(1) |
| Cell length b | 11.0427(2) |
| Cell length c | 26.0770(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.022(1) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0585 |
| R Factor (All) | 0.0681 |
| Weighted R Factor (Obs) | 0.1369 |
| Weighted R Factor (All) | 0.1427 |
Citation: Spencer, John and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/664)
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