00SRC186(764) - C13H10OS4
Sample Originator: P J Murphya. Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb Structure Determination: Thomas Gelbrichb. University of Wales, Bangora
University of Southamptonb
C13H10OS4 InChI=1/C6H6OS2.CH4.2H2/c7-5-9-4-6-1-2-8-3-6;;;/h1-3,5H,4H2;1H4;2*1H | Identification Number: | 10.5258/ecrystals/824 |
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| Date Created: | 23 May 2000 |
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| Deposited On: | 08 Nov 2013 15:24 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C13 H10 O S4 | | Crystal morphology | | | Crystal system | Orthorhombic | | Space group symbol | Pbcn | | Cell length a | 14.5002(3) | | Cell length b | 13.4816(3) | | Cell length c | 7.00910(10) | | Cell angle alpha | 90.00 | | Cell angle beta | 90.00 | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0380 | | R Factor (All) | 0.0426 | | Weighted R Factor (Obs) | 0.1019 | | Weighted R Factor (All) | 0.1049 |
Citation: Murphy, P J and Gelbrich, Thomas and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/824)
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