Sample Originator: Simon Aldridgea.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Oxforda
University of Southamptonb
C28H20Br2Fe4In2O8
InChI=1/C5H6.C5H5.4CH3O.BrH.2Fe.In.2H/c2*1-2-4-5-3-1;4*1-2;;;;;;/h1-4H,5H2;1-5H;4*2H,1H2;1H;;;;;/q;;;;;;;;;+1;;/p-1
| Controlled Keywords: | metal carbenes |
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| Date Created: | 05 September 2005 |
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| Deposited On: | 17 Feb 2010 13:48 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C28 H20 Br2 Fe4 In2 O8 |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.71040(10) |
| Cell length b | 9.9705(3) |
| Cell length c | 12.0246(4) |
| Cell angle alpha | 106.0930(10) |
| Cell angle beta | 90.916(2) |
| Cell angle gamma | 90.823(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0230 |
| R Factor (All) | 0.0261 |
| Weighted R Factor (Obs) | 0.0499 |
| Weighted R Factor (All) | 0.0513 |
Citation: Aldridge, Simon and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1178/)
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