Crystal structure of trans-di-fluoridotetra-kis(pyridine-κN)chromium(III) tri-chlorido-(pyridine-κN)zincate monohydrate from synchrotron data.

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作者:Moon Dohyun, Choi Jong-Ha
In the asymmetric unit of the title compound, [CrF2(C5H5N)4][ZnCl3(C5H5N)]·H2O, there are two independent complex cations, one tri-chlorido-(pyridine-κN)zincate anion and one solvent water mol-ecule. The cations lie on inversion centers. The Cr(III) ions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in a trans axial arrangement, displaying a slightly distorted octa-hedral geometry. The Cr-N(py) bond lengths are in the range 2.0873†(14) to 2.0926†(17)†à while the Cr-F bond lengths are 1.8609†(10) and 1.8645†(10)†à . The [ZnCl3(C5H5N)](-) anion has a distorted tetra-hedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631†(9):0.369†(9) ratio. In the crystal, two anions and two water mol-ecules are linked via O-H⋯Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C-H⋯Cl, C-H⋯π and π-π stacking inter-actions [centroid-centroid distances = 3.712†(2) and 3.780†(2)à ] link the components of the structure into a three-dimensional network.

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