Sample Originator: John Spencera.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C22H18N2O4Pd2S2
InChI=1/C4H6N2.C3H6.C2HNS.2C2H4O2.C2H4S.C2H3S.2C2H6.2C2H4.2C2H2.CHN.CH2S.9CH4.2Pd.5H2/c5-3-1-2-4-6;1-3-2;3-1-2-4;2*1-2(3)4;2*1-2-3;8*1-2;;;;;;;;;;;;;;;;/h5-6H,3-4H2;3H,1H2,2H3;2H;2*1H3,(H,3,4);2H,1H3;1H3;2*1-2H3;2*1-2H2;2*1-2H;1H;1H2;9*1H4;;;5*1H/q-2;;;;;;;;;;;;;;;;;;;;;;;;2*+2;;;;;/p-2
| Identification Number: | 10.5258/ecrystals/708 |
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| Date Created: | 28 April 2009 |
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| Deposited On: | 15 Nov 2009 18:41 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C22 H18 N2 O4 Pd2 S2 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 9.58530(10) |
| Cell length b | 19.1332(3) |
| Cell length c | 12.3889(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 103.7320(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0282 |
| R Factor (All) | 0.0314 |
| Weighted R Factor (Obs) | 0.0600 |
| Weighted R Factor (All) | 0.0611 |
Citation: Spencer, John and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/708)
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