Sample Originator: Neil Bricklebanka.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Sheffield Hallam Universitya
University of Southamptonb
C9.50H10.50I1.50N2S1.50
InChI=1/C12H12N2S2.C7H10N2S.I2.HI/c1-3-11(15-7-1)9-13-5-6-14-10-12-4-2-8-16-12;1-2-6(10-5-1)7-8-3-4-9-7;1-2;/h1-4,7-10H,5-6H2;1-2,5,7-9H,3-4H2;;1H/b13-9+,14-10+;;;
| Identification Number: | 10.5258/ecrystals/899 |
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| Controlled Keywords: | organosulfur compounds, organophosphorus structures |
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| Date Created: | 18 March 2003 |
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| Deposited On: | 08 Nov 2013 16:26 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C9.50 H10.50 I1.50 N2 S1.50 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 9.8236(2) |
| Cell length b | 27.4206(9) |
| Cell length c | 10.3335(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 111.113(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0270 |
| R Factor (All) | 0.0374 |
| Weighted R Factor (Obs) | 0.0594 |
| Weighted R Factor (All) | 0.0633 |
Citation: Bricklebank, Neil and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/899)
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