Sample Originator: J. H. R. Tucker, Michael B. Hursthouse, Simon J. Coles and J. D. Carr.
C22H18FeN2
InChI=1/C17H13N2.C5H5.Fe/c1-2-8-14(7-1)13-15(16-9-3-5-11-18-16)17-10-4-6-12-19-17;1-2-4-5-3-1;/h1-13H;1-5H;
| Identification Number: | 10.5258/ecrystals/90 |
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| Date Created: | 09 September 1997 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
Three ferrocene derivatives 1–3, each containing two pyridine ligands, form complexes with a variety of d-block metals, as evidenced by NMR and UV–vis spectroscopy and cyclic voltammetry. The X-ray crystal structures of 1 and its Mo(0) complex are reported. The Zn(II) and Cu(I) complexes of 1–3 have a 2/1 (ligand/metal) stoichiometry. The factors influencing the changes in the redox and chromogenic properties of these ligands upon complexation are discussed.
Data collection parameters
| Chemical formula | C22 H18 Fe N2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 7.5921(11) |
| Cell length b | 14.9902(9) |
| Cell length c | 15.372(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0539 |
| R Factor (Obs) | |
| R Factor (All) | 0.0541 |
| Weighted R Factor (Obs) | |
| Weighted R Factor (All) | |
Citation: Tucker, J. H. R. and Hursthouse, Michael B. and Coles, Simon J. and Carr, J. D. (1997) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/90)
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