Sample Originator: Robin B. Bedforda.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Bristol Universitya
University of Southamptonb
C53H48Cl3F6O3P4PdSb
InChI=1/C34H33P3.C18H15O3P.CH3Cl.3CH4.3Cl2.5ClH.6FH.Pd.Sb.H2/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2;;;;3*1-2;;;;;;;;;;;;;;/h1-25H,26-29H2;1-14,22H;1H3;3*1H4;;;;11*1H;;;1H/q;+1;;;;;;;;;;;;;;;;;;;-4;+3;
| Controlled Keywords: | organic compounds, catalysis |
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| Date Created: | 02 November 2004 |
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| Deposited On: | 16 Feb 2010 16:06 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
There is a molecule of chloroform in the asymmetric unit which is disordered over 4 main sites.
Data collection parameters
| Chemical formula | C53 H48 Cl3 F6 O3 P4 Pd Sb |
| Crystal morphology | Cut Block |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.677(4) |
| Cell length b | 26.381(11) |
| Cell length c | 16.334(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.89(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0467 |
| R Factor (Obs) | 0.0951 |
| R Factor (All) | 0.1514 |
| Weighted R Factor (Obs) | 0.2105 |
| Weighted R Factor (All) | 0.2409 |
Citation: Bedford, Robin B. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1092/)
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