Sample Originator: Robin B. Bedforda.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Bristol Universitya
University of Southamptonb
C57H54ClO3P3Ru
InChI=1/C38H39O2P2.C18H15P.CH3O.ClH.Ru/c1-37(2,3)33-27-34(38(4,5)6)36(40-42(31-23-15-9-16-24-31)32-25-17-10-18-26-32)28-35(33)39-41(29-19-11-7-12-20-29)30-21-13-8-14-22-30;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h7-27H,1-6H3;1-15H;2H,1H2;1H;/q;;;;-2/p+2
| Controlled Keywords: | ruthenium compounds, catalysis |
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| Date Created: | 27 June 2005 |
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| Deposited On: | 17 Feb 2010 13:38 |
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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 | C57 H54 Cl O3 P3 Ru |
| Crystal morphology | Slab |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.4233(8) |
| Cell length b | 12.932(3) |
| Cell length c | 18.718(5) |
| Cell angle alpha | 83.078(16) |
| Cell angle beta | 79.283(16) |
| Cell angle gamma | 76.322(16) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1302 |
| R Factor (Obs) | 0.0428 |
| R Factor (All) | 0.0647 |
| Weighted R Factor (Obs) | 0.0858 |
| Weighted R Factor (All) | 0.0942 |
Citation: Bedford, Robin B. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1096/)
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