Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Structural Studies of Thiocyanato and Isothiocyanato Cobalt(III) Complexes Ligating Diamine-N,N′-polycarboxylates
Yoshikiyo KatoHiroaki IsagoHiroshi OginoKoshiro ToriumiTasuku Ito
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1985 Volume 58 Issue 12 Pages 3506-3512


Crystal and molecular structures of NH4[Co(NCS)(hedtra)]·H2O and K[Co(SCN)(edtra)]·1.5H2O have been determined by single-crystal X-ray analyses, where hedtra3− and edtra3− denote N-(2-hydroxyethyl)ethylenediamine-N,N′,N′-triacetate and ethylenediamine-N,N,N′-triacetate ions, respectively. Crystal data are as follows: For the former species, triclinic, space group P1, a=7.477(2)Å, b=9.135(2)Å, c=6.899(1)Å; α=84.37(2)°, β=107.31(2)°, γ=108.35(2)°, V=427.0(2)Å3, Z=1; for the latter species, monoclinic, space group P21/a, a=15.288(2)Å, b=7.059(1)Å, c=14.373(2)Å, β=107.55(1), V=1479.0(4)Å3, Z=4. It has been proved unequivocally that the former species contains N-bonded SCN ligand and the latter species, the S-bonded ligand. Coordination geometry around the cobalt atom in each species deviates considerably from the regular octahedron, so that a very open space is created around the Co–NCS or Co–SCN moiety. This structural feature may be associated with the facile formation of the novel S-bonded species.

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