Sample Originator: Francesco Devillanovaa, Carla Aragonia and Massimiliano Arcaa.
Data Collection: Susanne L. Huthb
Structure Determination: Susanne L. Huthb and Michael B. Hursthouseb.
Universita Degli Studi Di Cagliari, Italya
University of Southamptonb
C28H32Cd1N2O4P2S4
InChI=1/2C8H11O2PS2.2C6H7N.Cd/c2*1-9-7-3-5-8(6-4-7)11(12,13)10-2;2*1-6-2-4-7-5-3-6;/h2*3-6,11H,1-2H3;2*2-5H,1H3;/q2*-2;;;+6
| Identification Number: | 10.5258/ecrystals/246 |
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| Date Created: | 14 December 2006 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C28 H32 Cd N2 O4 P2 S4 |
| Crystal morphology | Prism |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 12.1056(6) |
| Cell length b | 17.5149(11) |
| Cell length c | 15.3373(12) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.041(6) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0281 |
| R Factor (All) | 0.0375 |
| Weighted R Factor (Obs) | 0.0607 |
| Weighted R Factor (All) | 0.0647 |
Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Huth, Susanne L. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/246)
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