Sample Originator: Mark E. Light, Michael B. Hursthouse, S. J. Green, G. Gasser, S. R. Collinson, Simon J. Coles, J. Westwood and J. H. R. Tucker.
C24H22Fe1N4O2 . C4H10O1
InChI=1/C19H17N4O2.C7O2.C5H5.Fe/c1-12-5-3-7-16(20-12)22-18(24)14-9-10-15(11-14)19(25)23-17-8-4-6-13(2)21-17;1-4-6-5-3-2-7(3,5,6)8(4,5,6)9(4,5,6)7;1-2-4-5-3-1;/h3-11H,1-2H3,(H,20,22,24)(H,21,23,25);;1-5H;
| Identification Number: | 10.5258/ecrystals/84 |
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| Date Created: | 25 February 2000 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
A series of ferrocene-containing amidopyridyl receptors, in two regioisomeric forms (1,1' and 1,3), have been shown to bind cyclic organic molecules in chloroform through complementary hydrogen-bonding interactions. Complexation was monitored by NMR spectroscopy and by cyclic voltammetry. The magnitude of the host-guest binding strength and the redox response to complexation depend on both the type and the relative position of the amidopyridyl groups on the cyclopentadienyl rings of the ferrocene.
DOI: 10.1021/om034217o
Data collection parameters
| Chemical formula | C28 H22 Fe N4 O3 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 11.862(2) |
| Cell length b | 17.910(4) |
| Cell length c | 24.123(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.95(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.1939 |
| R Factor (Obs) | 0.0623 |
| R Factor (All) | 0.1144 |
| Weighted R Factor (Obs) | 0.1642 |
| Weighted R Factor (All) | 0.1872 |
Citation: Light, Mark E. and Hursthouse, Michael B. and Green, S. J. and Gasser, G. and Collinson, S. R. and Coles, Simon J. and Westwood, J. and Tucker, J. H. R. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/84)
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