Sample Originator: Allan E. Underhilla.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of North Walesa
University of Southamptonb
C25H18Fe2S5
InChI=1/C5H4S5.C5H6.3C5H5.2Fe/c6-5-9-3-4(10-5)8-2-1-7-3;4*1-2-4-5-3-1;;/h1-2H2;1-4H,5H2;3*1-5H;;
| Date Created: | 02 December 1996 |
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| Deposited On: | 23 Dec 2014 13:37 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C25 H18 Fe2 S5 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.939(2) |
| Cell length b | 11.4042(10) |
| Cell length c | 12.063(9) |
| Cell angle alpha | 66.46(2) |
| Cell angle beta | 66.861(10) |
| Cell angle gamma | 74.49(2) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | |
| R Factor (All) | 0.0408 |
| Weighted R Factor (Obs) | |
| Weighted R Factor (All) | |
Citation: Underhill, Allan E. and Coles, Simon J. and Hursthouse, Michael B. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/764/)
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