Sample Originator: Francesco Devillanovaa, Carla Aragonia and Massimiliano Arcaa.
Data Collection: Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Universita Degli Studi Di Cagliari, Italya
University of Southamptonb
C28H32Cd1N2O4P2S4
InChI=1/C9H13O2PS2.C5H5N.Cd/c1-3-11-12(13,14)9-6-4-8(10-2)5-7-9;1-2-4-6-5-3-1;/h4-7,12H,3H2,1-2H3;1-5H;/q-2;;+3
| Identification Number: | 10.5258/ecrystals/235 |
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| Date Created: | 14 December 2006 |
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| Deposited On: | 21 Jan 2008 15:29 |
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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 | Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.1800(2) |
| Cell length b | 9.8839(2) |
| Cell length c | 10.4172(2) |
| Cell angle alpha | 90.7370(10) |
| Cell angle beta | 101.8980(10) |
| Cell angle gamma | 100.7850(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0298 |
| R Factor (All) | 0.0313 |
| Weighted R Factor (Obs) | 0.0748 |
| Weighted R Factor (All) | 0.0759 |
Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Hursthouse, Michael B. and Huth, Susanne L. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/235)
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