Structural studies of technetium complexes. Part 4. The crystal structure of trans,trans-acetonitriledi-isothiocyanato(nitrido)bis-(triphenylphosphine)technetium(V)–acetonitrile (1/0.5)
- 1 January 1984
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 5,p. 833-837
- https://doi.org/10.1039/dt9840000833
Abstract
The title compound, [TcN(NCS)2(CH3CN)(PPh3)2]·0.5CH3CN, has been prepared by substitution of [TcNCl2(PPh3)2] with NH4NCS followed by the reaction of the [TcN(NCS)2(PPh3)2] complex with CH3CN. The crystal structure of [TcN(NCS)2(CH3CN)(PPh3)2]·0.5CH3CN has been determined by single-crystal X-ray diffraction methods at 25 ± 2 °C. Crystals are monoclinic, space group P21/c, with a= 9.296(3), b= 18.614(5), c= 23.307(6)Å, β= 109.63(2)°, and Z= 4. Diffractometry has provided significant Bragg intensities for 5 498 independent reflections and the structure has been refined by full-matrix least-squares methods to R= 0.045. The compound consists of discrete [TcN(NCS)2(CH3CN)(PPh3)2] molecules with CH3CN of crystallisation also present in the crystal lattice. The technetium atom has a distorted octahedral environment with Tc–N–C angles of 177.1 (4) and 166.7(4)° for the NCS ligands and 168.6(4)° for the CH3CN ligand. The TcN bond distance is 1.629(4)Å and the strong trans influence of the nitrido-group is evident in the exceptionally long Tc–N bond distance [2.491 (4)Å] to the CH3CN ligand.Keywords
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