Sample Originator: Athanasia Dervisia.
Data Collection: Peter N. Hortonb, Michael B. Hursthouseb and Simon J. Colesb
Structure Determination: Peter N. Hortonb.
Cardiff Universitya
University of Southamptonb
C116H100Cl6O2P4Pd5S4
InChI=1/4C29H24PS.6ClH.2O.5Pd/c4*31-29(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;;;;;;;;;;;;;/h4*1-18,27-28H,19-20H2;6*1H;;;;;;;/q;;;;;;;;;;;;2*-2;3*+2/p-2/t4*27-,28+,29-;;;;;;;;;;;;;/m1100............./s1
| Controlled Keywords: | chiral compounds, palladium compounds |
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| Date Created: | 03 October 2005 |
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| Deposited On: | 03 Sep 2015 16:46 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C116 H100 Cl6 O2 P4 Pd5 S4 |
| Crystal morphology | Cut Block |
| Crystal system | Tetragonal |
| Space group symbol | P4 |
| Cell length a | 32.315(6) |
| Cell length b | 32.315(6) |
| Cell length c | 15.243(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0917 |
| R Factor (All) | 0.1089 |
| Weighted R Factor (Obs) | 0.2249 |
| Weighted R Factor (All) | 0.2357 |
Citation: Dervisi, Athanasia and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1057/)
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