Sample Originator: Athanasia (Nancy) Dervisia.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Cardiff Universitya
University of Southamptonb
C58H48P2PdS2
InChI=1/C29H25PS.Pd/c31-29(20-30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)19-27-23-15-7-9-17-25(23)28(29)26-18-10-8-16-24(26)27;/h1-18,27-28,31H,19-20H2;/t27-,28+,29-;/m1./s1
| Controlled Keywords: | chiral compounds |
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| Date Created: | 22 September 2003 |
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| Deposited On: | 18 Feb 2010 11:07 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C58 H48 P2 Pd S2 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 14.174(2) |
| Cell length b | 14.715(2) |
| Cell length c | 11.8000(13) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.312(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1011 |
| R Factor (All) | 0.1683 |
| Weighted R Factor (Obs) | 0.1598 |
| Weighted R Factor (All) | 0.1844 |
Citation: Dervisi, Athanasia (Nancy) and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1061/)
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