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
C29H34Cd1N2O4P2S4
InChI=1/C13H14N2.2C8H11O2PS2.Cd/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;2*1-9-7-3-5-8(6-4-7)11(12,13)10-2;/h4-11H,1-3H2;2*3-6,11H,1-2H3;/q;2*-2;+5
| Identification Number: | 10.5258/ecrystals/248 |
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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 | C29 H34 Cd N2 O4 P2 S4 |
| Crystal morphology | Fragment |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 10.7073(4) |
| Cell length b | 16.3214(4) |
| Cell length c | 19.5513(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.799(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0311 |
| R Factor (All) | 0.0461 |
| Weighted R Factor (Obs) | 0.0663 |
| Weighted R Factor (All) | 0.0727 |
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/248)
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