Sample Originator: John Spencerb.
Data Collection: Graham J. Tizzarda and Simon J. Colesa
Structure Determination: Graham J. Tizzarda and Simon J. Colesa.
University of Southamptona
University of Greenwichb
C41H40Cl2Fe2N6O4
InChI=1/C11H11N2.C5H5.Fe/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/b12-9+;;
| Identification Number: | 10.5258/ecrystals/1277 |
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| Controlled Keywords: | organometallic complexes, ferrocene compounds |
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| Date Created: | 03 June 2010 |
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| Deposited On: | 28 Mar 2012 13:03 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters
| Chemical formula | C16 H16 Fe N2 |
| Crystal morphology | Cut Block |
| Crystal system | orthorhombic |
| Space group symbol | P b c a |
| Cell length a | 17.3279(2) |
| Cell length b | 7.36480(10) |
| Cell length c | 20.9885(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0328 |
| R Factor (All) | 0.0386 |
| Weighted R Factor (Obs) | 0.0773 |
| Weighted R Factor (All) | 0.0813 |
Citation: Tizzard, Graham J. and Coles, Simon J. and Spencer, John (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1277)
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