03SRC862 - C7H8S3
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
C7H8S3 InChI=1/C7H8S3/c1-2-9-6-4-8-5-7(6)10-3-1/h4-5H,1-3H2 | Identification Number: | 10.5258/ecrystals/1003 |
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| Controlled Keywords: | bonding charge transfer |
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| Date Created: | 07 January 2004 |
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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 | C7 H8 S3 | | Crystal morphology | | | Crystal system | Orthorhombic | | Space group symbol | P2(1)2(1)2(1) | | Cell length a | 8.01160(10) | | Cell length b | 8.34090(10) | | Cell length c | 12.2865(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) | 0.0202 | | Weighted R Factor (Obs) | 0.0495 | | Weighted R Factor (All) | 0.0500 |
Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1003)
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