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
C36H48Hg2O8P4S8
InChI=1/C9H13O2PS2.C9H12O2PS.Hg.H2S/c1-3-11-12(13,14)9-6-4-8(10-2)5-7-9;1-3-11-12(13)9-6-4-8(10-2)5-7-9;;/h4-7,12H,3H2,1-2H3;4-7H,3H2,1-2H3;;1H2/q-2;-1;+4;/p-1
| Identification Number: | 10.5258/ecrystals/249 |
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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 | C36 H48 Hg2 O8 P4 S8 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.2643(4) |
| Cell length b | 14.7356(3) |
| Cell length c | 10.5323(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.9880(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0211 |
| R Factor (All) | 0.0253 |
| Weighted R Factor (Obs) | 0.0458 |
| Weighted R Factor (All) | 0.0472 |
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/249)
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