Sample Originator: Martin B. Smitha.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Loughborough Universitya
University of Southamptonb
C19H14ClN2PSSe
InChI=1/C19H17ClN2PSSe/c20-14-11-12-17-18(13-14)24-19(21-17)22-23(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21-23,25H
Date Created: | 20 September 2000 |
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Deposited On: | 23 Dec 2014 13:10 |
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Deposited By: | Mr Steve Lamond |
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Data collection parameters
Chemical formula | C19 H14 Cl N2 P S Se |
Crystal morphology | |
Crystal system | Monoclinic |
Space group symbol | P2(1)/c |
Cell length a | 16.4884(2) |
Cell length b | 10.8238(2) |
Cell length c | 10.8189(3) |
Cell angle alpha | 90.00 |
Cell angle beta | 108.8960(10) |
Cell angle gamma | 90.00 |
Data collection temperature | 150(2) |
Refinement results
Solution figure of merit | |
R Factor (Obs) | 0.0304 |
R Factor (All) | 0.0375 |
Weighted R Factor (Obs) | 0.0736 |
Weighted R Factor (All) | 0.0772 |
Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/721/)
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