136
A. Erdélyiová et al. / Polyhedron 28 (2009) 131–137
Zn - 2-bromobenzoate
Zn - mpc
0.015
0.010
HOMO
LUMO
0.005
0.000
—0.005
—0.010
—0.015
—20
—18
—16
—14
—12
—10
—8
—6
—4
—2
0
ε[eV]
Fig. 5. The COOP diagram of 1.
Table 6
UK; fax: (+44) 1223-336-033; or e-mail: deposit@ccdc.cam.ac.uk.
Supplementary data associated with this article can be found, in
Mayer bond orders between the central zinc atom and selected donors
Atoms
Mayer bond order(s)
Carboxylate oxygens
Carboxylate carbons
mpc nitrogens
0.222, 0.204
0.015
0.223
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4. Conclusion
The present work describes the synthesis and characterization
of [Zn(2-BrC6H4COO)2mpc2]. It was found out that the zinc is coor-
dinated by two nitrogen atoms from two methyl-3-pyridylcarba-
mate ligands and by four oxygen atoms from two bidentate 2-
bromobenzoates in a pseudo-octahedral geometry. The molecules
are linked into a chain by hydrogen bridges between the NH group
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(VEGA project 1/0122/08). The financial support is gratefully
acknowledged.
Appendix A. Supplementary data
CCDC 686772 contains the supplementary crystallographic data
for this paper. These data can be obtained free of charge via http://
Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ,