03SRC701 - C6H4O2S3
Sample Originator: Peter J. Skabaraa. Data Collection: Simon J. Colesb and Michael B. Hursthouseb Structure Determination: Simon J. Colesb. University of Strathclydea
University of Southamptonb
C6H4O2S3 InChI=1/C6H4O2S3/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2 | Identification Number: | 10.5258/ecrystals/1002 |
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| Controlled Keywords: | bonding charge transfer |
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| Date Created: | 03 November 2003 |
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| Deposited On: | 23 Dec 2014 09:43 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C6 H4 O2 S3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 5.2947(2) | | Cell length b | 9.1530(4) | | Cell length c | 16.0782(7) | | Cell angle alpha | 90.00 | | Cell angle beta | 99.48(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0258 | | R Factor (All) | 0.0309 | | Weighted R Factor (Obs) | 0.0641 | | Weighted R Factor (All) | 0.0667 |
Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1002)
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