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• W2792668125 abstract "Abstract A novel metal-organic planar NiS4 - type complex, trans- Ni(II)-bis[O-(2-butoxyethyl)-(4-methoxyphenyl)dithiophosphonate], was synthesized by the reaction of ammonium salt of O-dithiophosphonic acid with Ni(CH3COO)2. The crystal structure of Ni(II)-complex was determined by X-ray Diffraction (XRD) analysis. As a result of the X-ray crystal and molecule structure analyses of the studied trans- Ni(II)-complex, it was obtained that the central nickel atom is coordinated by four sulphur atoms in slightly distorted a square-planar geometry. The X-ray structure confirms a trans isomer of the Ni(II)-complex. The Ni(II)-complex crystallizes in the monoclinic space group C12/c1 with unit cell parameters a 22.376(3) (A), b 18.466(3) (A) and c 8.6875(13) (A). In addition, theoretical calculations with the basis set of B3LYP/6-311 + G(2d,p) are performed to determine the structural properties, FT-IR, NMR spectrum, electronic properties and NBO analysis of the compound. The experimental and computed results of the Ni(II)-complex were found to be in good agreement." @default.
• W2792668125 created "2018-03-29" @default.
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• W2792668125 date "2018-07-01" @default.
• W2792668125 modified "2023-10-14" @default.
• W2792668125 title "Synthesis, characterization, single crystal structure and theoretical studies of trans-Ni(II)-complex with dithiophosphonate ligand" @default.
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• W2792668125 doi "https://doi.org/10.1016/j.molstruc.2018.02.110" @default.
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