Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)


metal-organic compounds



ga3063 scheme

Acta Cryst. (2007). C63, m541-m547    [ doi:10.1107/S0108270107045453 ]

Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-olate and cadmium

V. A. Tafeenko, G. N. Panin, A. N. Baranov, I. N. Bardasov and L. A. Aslanov

Abstract: Yellow-orange tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-olato-[kappa]N3)cadmium(II) dihydrate, [Cd(C8HN4O2)2(H2O)4]·2H2O, (I), and yellow tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-olato-[kappa]N3)cadmium(II) 1,4-dioxane solvate, [Cd(C8HN4O2)2(H2O)4]·C4H8O2, (II), contain centrosymmetric mononuclear Cd2+ coordination complex molecules in different conformations. Dark-red poly[[decaaquabis([mu]2-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-olato-[kappa]2N:N')bis([mu]2-3-cyano-4-dicyanomethylene-1H-pyrrole-2,5-diolato-[kappa]2N:N')tricadmium] hemihydrate], [Cd3(C8HN4O2)2(C8N4O2)2(H2O)10]·0.5H2O, (III), has a polymeric two-dimensional structure, the building block of which includes two cadmium cations (one of them located on an inversion centre), and both singly and doubly charged anions. The cathodoluminescence spectra of the crystals are different and cover the wavelength range from UV to red, with emission peaks at 377 and 620 nm for (III), and at 583 and 580 nm for (I) and (II), respectively.

Formula: [Cd(C8HN4O2)2(H2O)4]·2H2O, [Cd(C8HN4O2)2(H2O)4]·C4H8O2 and[Cd3(C8HN4O2)2(C8N4O2)2(H2O)10]·0.5H2O


hkldisplay filedownload file

Structure factor file (CIF format) (129.5 kbytes)
[ doi:10.1107/S0108270107045453/ga3063Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (145.3 kbytes)
[ doi:10.1107/S0108270107045453/ga3063IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (198.1 kbytes)
[ doi:10.1107/S0108270107045453/ga3063IIIsup4.hkl ]
Contains datablock III


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