Sample Originator: Robin B. Bedforda.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Bristol Universitya
University of Southamptonb
C34H32Cl2N4PdS4
InChI=1/C12H15N.C4H6S.C2H6N2.C2H6.C2H4.C2H2.3CH4.ClH.Pd.3H2S.2H2/c1-3-5-8-12-10-6-9-11(13-12)7-4-2;1-2-3-4-5;1-2-4-3-1;3*1-2;;;;;;;;;;/h3-4,6,9-10H,1-2,5,7-8H2;2-4H,1H3;3-4H,1-2H2;1-2H3;1-2H2;1-2H;3*1H4;1H;;3*1H2;2*1H/q;;;;;;;;;;+1;;;;;/p-1/b;3-2-;;;;;;;;;;;;;;
| Controlled Keywords: | palladium |
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| Date Created: | 03 July 2002 |
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| Deposited On: | 08 Nov 2013 15:25 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The thiophene rings are both disordered.
All hydrogen atoms are fixed.
There is a molecule of acetonitrile in the asymmetric unit that is disordered over two sites.
Data collection parameters
| Chemical formula | C34 H32 Cl2 N4 Pd S4 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.2568(3) |
| Cell length b | 11.4708(5) |
| Cell length c | 12.9370(9) |
| Cell angle alpha | 100.823(2) |
| Cell angle beta | 94.201(2) |
| Cell angle gamma | 105.230(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1144 |
| R Factor (Obs) | 0.0463 |
| R Factor (All) | 0.0648 |
| Weighted R Factor (Obs) | 0.1021 |
| Weighted R Factor (All) | 0.1083 |
Citation: Bedford, Robin B. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1087/)
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