Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 6 (June 2004)



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Acta Cryst. (2004). C60, m250-m253    [doi:10.1107/S0108270104008406]

catena-Poly[[bis(1H-benzotriazole-[bold kappa]N3)cobalt(II)]-di-[bold mu]-tricyanomethanido-[bold kappa]2N:N'] and catena-poly[[bis(3,5-dimethyl-1H-pyrazole-[bold kappa]N2)manganese(II)]-di-[bold mu]-tricyanomethanido-[bold kappa]2N:N']

Z.-H. Shao, J. Luo, R.-F. Cai, X.-G. Zhou, L.-H. Weng and Z.-X. Chen

Abstract: Two new one-dimensional coordination polymers, viz. the title compounds, [Co{C(CN)3}2(C6H5N3)2]n, (I), and [Mn{C(CN)3}2(C5H8N2)2]n, (II), have been synthesized and characterized by X-ray diffraction. Both complexes consist of linear chains with double 1,5-tricyanomethanide bridges between neighbouring divalent metal ions. The Co and Mn atoms are located on centres of inversion. In (I), the coordination environment of the CoII atom is that of an elongated octahedron. The CoII atom is coordinated in the equatorial plane by four nitrile N atoms of four bridging tricyanomethanide ions, with Co-N distances of 2.106  (2) and 2.110  (2)  Å, and in the apical positions by two N atoms from the benzotriazole ligands, with a Co-N distance of 2.149  (2)  Å. The [Co{C(CN)3}2(C6H5N3)2] units form infinite chains extending along the a axis. These chains are crosslinked via a hydrogen bond between the uncoordinated nitrile N atom of a tricyanomethanide anion and the H atom on the uncoordinated N atom of a benzotriazole ligand from an adjacent chain, thus forming a three-dimensional network structure. In (II), the MnII atom also adopts a slightly distorted octahedral geometry, with four nitrile N atoms of tricyanomethanide ligands [Mn-N = 2.226  (2) and 2.227  (2)  Å] in equatorial positions and two N atoms of the monodentate 3,5-dimethylpyrazole ligands [Mn-N = 2.231  (2)  Å] in the axial sites. In (II), one-dimensional polymeric chains extending along the b axis are formed, with tricyanomethanide anions acting as bidentate bridging ligands. A hydrogen bond between the uncoordinated nitrile N atom of the tricyanomethanide ligand and the H atom on the uncoordinated N atom of a 3,5-dimethylpyrazole group from a neighbouring chain links the molecule into a two-dimensional layered structure.

Formula: [Co(C4N3)2(C6H5N3)2] and [Mn(C4N3)2(C5H8N2)2]

Online 11 May 2004


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Structure factor file (CIF format) (100.8 kbytes)
Contains datablock I


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Structure factor file (CIF format) (93.2 kbytes)
Contains datablock II


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