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
C28H32N2O4P2S4Zn1
InChI=1/2C8H12O2PS2.C7H9N.C5H5N.Zn/c2*1-9-7-3-5-8(6-4-7)11(12,13)10-2;1-2-7-3-5-8-6-4-7;1-2-4-6-5-3-1;/h2*3-6,11-12H,1-2H3;3-6H,2H2,1H3;1-5H;/q2*-1;;;+4
| Identification Number: | 10.5258/ecrystals/238 |
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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 N2 O4 P2 S4 Zn |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 11.9835(3) |
| Cell length b | 17.4682(3) |
| Cell length c | 15.3010(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.8560(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0376 |
| R Factor (All) | 0.0545 |
| Weighted R Factor (Obs) | 0.0756 |
| Weighted R Factor (All) | 0.0829 |
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/238)
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