Sample Originator: Lee Martina.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouse.
Nottingham Trent Universitya
University of Southamptonb
C37H27CrNNaO14S24
InChI=1/3C10H8S8.3C2H2O4.CH4NO2.Cr.Na/c3*1-2-12-6-5(11-1)15-9(16-6)10-17-7-8(18-10)14-4-3-13-7;3*3-1(4)2(5)6;1-2(3)4;;/h3*1-4H2;2*(H,3,4)(H,5,6);1H,(H,5,6);1H3,(H,3,4);;/q;;;;;-2;;+6;+1/p-5
| Identification Number: | 10.5258/ecrystals/1234 |
|---|
| Controlled Keywords: | charge-transfer complexes, BEDT-TTF |
|---|
| Date Created: | 25 November 2009 |
|---|
| Deposited On: | 22 Jan 2010 15:15 |
|---|
| Deposited By: | Dr Peter N Horton |
|---|
Depositor Comments
User ref code:- LeeSnitromethane
Data collection parameters
| Chemical formula | C37 H27 Cr N Na O14 S24 |
| Crystal morphology | Sheet |
| Crystal system | monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 10.4550(4) |
| Cell length b | 14.6532(8) |
| Cell length c | 18.1135(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.095(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0433 |
| R Factor (Obs) | 0.0641 |
| R Factor (All) | 0.0896 |
| Weighted R Factor (Obs) | 0.1221 |
| Weighted R Factor (All) | 0.1360 |
Citation: Martin, Lee and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1234)
Export as: oreChem EndNote BibTeX ASCII Citation
