Sample Originator: Martin B. Smitha.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Loughborough Universitya
University of Southamptonb
C66H58Cl2N2O6P4Pd
InChI=1/C21H20NO3P.C12H10P.Cl2.ClH.Pd/c1-22(20-18(21(24)25)13-8-14-19(20)23)15-26(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2;;/h2-14,23H,15H2,1H3,(H,24,25);1-10H;;1H;/q;-1;;;/p+1
| Controlled Keywords: | polyphosphines |
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| Date Created: | 04 September 2002 |
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| Deposited On: | 16 Feb 2010 14:43 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
One of the chloride ions (Cl2) is disordered over two independent sites.
All the hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C66 H58 Cl2 N2 O6 P4 Pd |
| Crystal morphology | |
| Crystal system | Tetragonal |
| Space group symbol | I4(1)/acd |
| Cell length a | 33.788(6) |
| Cell length b | 33.788(6) |
| Cell length c | 22.014(7) |
| Cell angle alpha | 90.000 |
| Cell angle beta | 90.000 |
| Cell angle gamma | 90.000 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.4840 |
| R Factor (Obs) | 0.0801 |
| R Factor (All) | 0.2565 |
| Weighted R Factor (Obs) | 0.1689 |
| Weighted R Factor (All) | 0.2391 |
Citation: Smith, Martin B. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1149/)
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