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
C20H19Fe1N3O2
InChI=1/C15H16N3O2.C15H15N3O2.C5H7.C5H6.CH2Cl2.2Fe/c2*1-19-13-7-11-12(8-14(13)20-2)16-9-17-15(11)18-10-5-3-4-6-10;2*1-2-4-5-3-1;2-1-3;;/h3,6-9H,4-5H2,1-2H3,(H,16,17,18);3-5,7-9H,6H2,1-2H3,(H,16,17,18);1-2,5H,3-4H2;1-4H,5H2;1H2;;
| Identification Number: | 10.5258/ecrystals/1276 |
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| Controlled Keywords: | organometallic compounds |
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| Date Created: | 02 June 2010 |
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| Deposited On: | 10 Jun 2013 16:53 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters
| Chemical formula | C41 H40 Cl2 Fe2 N6 O4 |
| Crystal morphology | Needle |
| Crystal system | monoclinic |
| Space group symbol | P 21/n |
| Cell length a | 7.3738(4) |
| Cell length b | 24.5405(19) |
| Cell length c | 21.2954(16) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.475(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1204 |
| R Factor (All) | 0.2152 |
| Weighted R Factor (Obs) | 0.2096 |
| Weighted R Factor (All) | 0.2629 |
Citation: Tizzard, Graham J. and Coles, Simon J. and Spencer, John (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1276)
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