1,3,8,10-Tetrakis-(4-fluoro-phenyl)-1,3,8,10-tetrahydro-4,5,6,7-tetrathia-1,3,8,10-tetraaza-dicyclopenta[a,c]cyclooctene-2,9-dithione
Sample Originator: Michael B. Hursthouse and Susanne. L. Huth. C30H16N4S6F4 . CHCl3 C30H16F4N4S6.C2H5Cl6,31-17-1H-9H-21(10H-2H-17)35-25-26-28(42-44-43-41-27(25)37(29(35)39)23-13H-5H-19(33)6H-14H-23)38(24-15H-7H-20(34)8H-16H-24)30(40)36(26)22-11H-3H-18(32)4H-12H-22;3H-2-1(4(2)5(1)2,9(2)10(1)2)6(2)8H(1,2)7H(1,2)3 | Identification Number: | 10.5258/ecrystals/30 |
|---|
| Controlled Keywords: | Halogen-halogen interactions |
|---|
| Date Created: | 05 May 2004 |
|---|
| Deposited On: | 21 Jan 2008 15:28 |
|---|
| Deposited By: | A.N. Admin |
|---|
Data collection parameters| Chemical formula | C31 H17 Cl3 F4 N4 S6 | | Crystal morphology | Block | | Crystal system | Triclinic | | Space group symbol | P-1 | | Cell length a | 11.3216(3) | | Cell length b | 13.2873(6) | | Cell length c | 13.9320(9) | | Cell angle alpha | 110.438(4) | | Cell angle beta | 98.073(4) | | Cell angle gamma | 115.161(4) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0382 | | R Factor (All) | 0.0493 | | Weighted R Factor (Obs) | 0.0927 | | Weighted R Factor (All) | 0.1038 |
Citation: Hursthouse, Michael B. and Huth, Susanne. L. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/30)
Export as: oreChem EndNote BibTeX ASCII Citation Available FilesFinal ResultValidationRefinementSolutionProcessingOther Files   Repository Staff Only: item control page
|
