99SRC028(1188) - C12H4N2S2
Sample Originator: Patrick J. Murphya. Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb Structure Determination: Thomas Gelbrichb. University of Wales, Bangora
University of Southamptonb
C12H4N2S2 InChI=1/C12H5N2S2/c13-5-7(6-14)10-8-1-3-15-11(8)12-9(10)2-4-16-12/h1-4,7H | Date Created: | 27 January 1999 |
|---|
| Deposited On: | 23 Dec 2014 12:45 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters| Chemical formula | C12 H4 N2 S2 | | Crystal morphology | | | Crystal system | Triclinic | | Space group symbol | P-1 | | Cell length a | 3.8247(2) | | Cell length b | 7.8279(4) | | Cell length c | 17.0839(10) | | Cell angle alpha | 99.951(3) | | Cell angle beta | 95.698(3) | | Cell angle gamma | 94.805(4) | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0399 | | R Factor (All) | 0.0609 | | Weighted R Factor (Obs) | 0.0911 | | Weighted R Factor (All) | 0.0979 |
Citation: Murphy, Patrick J. and Gelbrich, Thomas and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/806/)
Export as: oreChem EndNote BibTeX ASCII Citation Available FilesFinal ResultValidationRefinementProcessingOther Files   Repository Staff Only: item control page
|
