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Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4'-oxydibenzoato-κO)cobalt(II) dihydrate

Abstract : The title mononuclear Co complex, [Co(CHN)(CHO)(HO)]·2HO, has been synthesized and its crystal structure determined by X-ray diffraction. The complex crystallizes in the triclinic space group P-1, with one formula unit per cell (Z = 1 and Z' = 1/2). It consists of a mononuclear unit with the Co ion on an inversion centre coordinated by two 2,6-diamino-7H-purin-1-ium cations, two 4,4'-oxydibenzoate anions (in a nonbridging κO-monodentate coordination mode, which is less common for the anion in its Co complexes) and two water molecules, defining an octahedral environment around the metal atom. There is a rich assortment of nonbonding interactions, among which a strong N-H...O bridge, with a short N...O distance of 2.5272 (18) Å, stands out, with the H atom ostensibly displaced away from its expected position at the donor side, towards the acceptor. The complex molecules assemble into a three-dimensional hydrogen-bonded network. A variable-temperature magnetic study between 2 and 300 K reveals an orbital contribution to the magnetic moment and a weak antiferromagnetic interaction between Co centres as the temperature decreases. The model leads to the following values: A (crystal field strength) = 1.81, λ (spin-orbit coupling) = -59.9 cm, g (Landé factor) = 2.58 and zJ (exchange coupling) = -0.5 cm.
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01696989
Contributor : Laurent Jonchère <>
Submitted on : Tuesday, January 30, 2018 - 5:15:11 PM
Last modification on : Thursday, March 5, 2020 - 2:05:13 PM

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Ana María Atria, José Parada, Yanko Moreno, Sebastián Suárez, Ricardo Baggio, et al.. Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4'-oxydibenzoato-κO)cobalt(II) dihydrate. Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography, 2018, 74 (1), pp.37-44. ⟨10.1107/S2053229617016916⟩. ⟨hal-01696989⟩

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