Sample Originator: Martin B. Smitha.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Loughborough Universitya
University of Southamptonb
C70H74Cl2Cu3N4O12P4S6 . 2PF6
InChI=1/2C12H11O2P.C7H5ClN2S.2C2H6OS.2Cu.F5P.FH/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-4-1-2-5-6(3-4)11-7(9)10-5;2*1-4(2)3;;;1-6(2,3,4)5;/h2*1-10,15H;1-3H,(H2,9,10);2*1-2H3;;;;1H/q2*-2;;2*-1;+2;+4;;
| Date Created: | 28 February 2001 |
|---|
| Deposited On: | 23 Dec 2014 13:07 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C70 H74 Cl2 Cu3 F12 N4 O12 P6 S6 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 29.4892(5) |
| Cell length b | 10.7143(2) |
| Cell length c | 34.1321(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.653(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0666 |
| R Factor (All) | 0.1439 |
| Weighted R Factor (Obs) | 0.1451 |
| Weighted R Factor (All) | 0.1651 |
Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/724/)
Export as: oreChem EndNote BibTeX ASCII Citation
