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
C10H10Br2S3
InChI=1/C10H10Br2S3/c1-2-3-4-6-5-13-7-8(14-6)10(12)15-9(7)11/h5H,2-4H2,1H3
| Identification Number: | 10.5258/ecrystals/1006 |
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| Controlled Keywords: | chemistry organometallic, bonding charge transfer |
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| Date Created: | 23 September 2004 |
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| Deposited On: | 23 Dec 2014 09:44 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C10 H10 Br2 S3 |
| Crystal morphology | Slab |
| Crystal system | monoclinic |
| Space group symbol | P 2(1)/c |
| Cell length a | 7.9737(8) |
| Cell length b | 24.1031(19) |
| Cell length c | 7.8367(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 118.410(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0405 |
| R Factor (Obs) | 0.0806 |
| R Factor (All) | 0.1188 |
| Weighted R Factor (Obs) | 0.1903 |
| Weighted R Factor (All) | 0.2108 |
Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1006)
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