Sample Originator: Robin B. Bedforda.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Bristol Universitya
University of Southamptonb
C27H24Cl3FeN2O2
InChI=1/C26H26N2O2.CH2Cl2.ClH.Fe/c1-17(21-13-11-19-7-3-5-9-23(19)25(21)29)27-15-16-28-18(2)22-14-12-20-8-4-6-10-24(20)26(22)30;2-1-3;;/h3-14,17-18,29-30H,15-16H2,1-2H3;1H2;1H;/q-2;;;+5/p-3
| Controlled Keywords: | iron compounds |
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| Date Created: | 25 January 2005 |
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| Deposited On: | 16 Feb 2010 16:29 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C27 H24 Cl3 Fe N2 O2 |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.9613(6) |
| Cell length b | 11.0481(8) |
| Cell length c | 11.1915(7) |
| Cell angle alpha | 109.102(5) |
| Cell angle beta | 100.330(5) |
| Cell angle gamma | 96.187(6) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0503 |
| R Factor (Obs) | 0.0336 |
| R Factor (All) | 0.0455 |
| Weighted R Factor (Obs) | 0.0792 |
| Weighted R Factor (All) | 0.0850 |
Citation: Bedford, Robin B. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1084/)
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