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
C14H20Co1N2O4P2S4
InChI=1/C3H6N.C2H6O2PS.Co/c1-2-3-4;1-3-5(6)4-2;/h2-4H,1H3;1-2H3;/q2*-1;+2/b3-2-;;
| Identification Number: | 10.5258/ecrystals/237 |
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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 | C14 H20 Co N2 O4 P2 S4 |
| Crystal morphology | Prism |
| Crystal system | Orthorhombic |
| Space group symbol | Pnnm |
| Cell length a | 11.3361(2) |
| Cell length b | 11.3717(3) |
| Cell length c | 8.3386(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0197 |
| R Factor (All) | 0.0206 |
| Weighted R Factor (Obs) | 0.0575 |
| Weighted R Factor (All) | 0.0584 |
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/237)
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