02SRC123
- C7H6ClIO4S3
Sample Originator: Neil Bricklebanka. Data Collection: Peter N. Hortonb and Michael B. Hursthouseb Structure Determination: Peter N. Hortonb. Sheffield Hallam Universitya
University of Southamptonb
C7H6ClIO4S3 InChI=1/C7H6IO4S3.ClH/c1-11-5(9)3-4(6(10)12-2)14-7(13-3)15-8;/h1-2H3;1H | Identification Number: | 10.5258/ecrystals/898 |
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| Controlled Keywords: | radicals |
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| Date Created: | 15 March 2002 |
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| Deposited On: | 27 Oct 2009 09:25 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C7 H6 Cl I O4 S3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 15.5564(5) | | Cell length b | 7.3261(2) | | Cell length c | 11.6680(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 104.8630(10) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0960 | | R Factor (Obs) | 0.0340 | | R Factor (All) | 0.0384 | | Weighted R Factor (Obs) | 0.0849 | | Weighted R Factor (All) | 0.0870 |
Citation: Bricklebank, Neil and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/898)
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