Publication details

Origin of Different Coordination Polyhedra for Cu[CF3C(O)CHC(O)CF3]2L, (L = H2O, NH3)

Authors

PINKAS Jiří HUFFMAN J. C. CHISHOLM M. H. CAULTON K. G.

Year of publication 1995
Type Article in Periodical
Magazine / Source Inorg. Chem.
MU Faculty or unit

Faculty of Science

Citation
Field Inorganic chemistry
Keywords MOLECULAR-STRUCTURES; COMPLEXES; CRYSTAL
Description Cu(hfacac)(2)(NH3) (hfacac = CF3C(O)CHC(O)CF3-) is shown to have a trigonal-bipyramidal structure with Cu-O (axial) = 1.945(3) Angstrom, Cu-O (equatorial) = 2.075(3) Angstrom and Cu-N = 1.933(6) Angstrom. This contrasts with the square-pyramidal structure of Cu(hfacac)(2)(H2O), which has a long (2.204(3) Angstrom) Cu-OH2 bond. The ammine complex retains its NH3 ligand upon vacuum sublimation, while the H2O complex loses water. The difference in coordination geometry and Cu-L distance (L = H2O, NH3) is traced to minimizing a antibonding interactions with the stronger ligand L, which, by the criterion of 10Dq, is NH3. Crystal data (-67 degrees C): a = 20.594(6) Angstrom, b = 8.881(2) Angstrom, c = 8.619(2) Angstrom, beta = 104.49(1)degrees with Z = 4 in space group C2/c.

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