Crystal Structure of Bis(O-n-butyldithiocarbonato-S,S')(1,10-phenanthroline)-manganese(II)

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The title compound, bis(O-n-butyldithiocarbonato-S,S')(1,10-phenanthroline) manganese(II): Mn(S2COCH2CH2CH2CH3)2-(1,10-phenanthroline), crystallizes in the monoclinic space group C2/c with the following unit-cell parameters: a = 6.6626(3)Å, b = 18.9127(6)Å, c = 20.5778(10)Å, β = 97.773(4)°, Z = 4. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0464 for 1892 observed reflections. In the title molecular complex, the butyl chain is disordered over two sets of sites, with occupancy ratios of 0.54(2): 0.46(2). The crystal structure is stabilized with the help of π-π interactions between neighbouring pyridine rings, with a centroid-to-centroid distance of 3.849 Å. The adduct is found to exhibit a distorted octahedral coordination geometry based on a N2S4 donor set with Mn2+ located at the centre.
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