摘要
在(NH4)3VS4/CuI/Py反应体系中合成了新化合物 [VS4Cu6(Py)8I3]并测定其晶体结构。该化合物(C40H40N8Cu6I3S4V)属正交晶系, 空间群为Fdd2, 晶胞参数为: a = 29.924(6), b = 13.475(3), c = 25.853(5) , V = 10425(4) ?, Dc = 2.006 g/cm3, Mr = 1573.92, Z = 8, (MoK) = 4.546 mm-1, F(000) = 6048。结构由直接法解出, 用全矩阵最小二乘法修正, 最终偏离因子R = 0.023, wR = 0.069。簇合物分子是由6个带端基配体的Cu沿着四面体单元VS4的6条SS边配位而成, 6个Cu排列成了1个八面体, V基本位于八面体的中心, 整个分子具有C2对称性。
The title compound [VS4Cu6Py8I3] was obtained in the reaction system (NH4)(3)VS4/CuI/Py and its crystal structure has been determined by single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group Fdd2 with a = 29.924(6), b = 13.475(3), c = 25.853(5) Angstrom, V = 10425(4) Angstrom(3), D-c = 2.006 g/cm(3), M-r = 1573.92, Z = 8, mu(MoKalpha) = 4.546 mm(-1) and F(000) = 6048. The structure was solved by direct methods and refined by full-matrix least-squares technique to the final R = 0.023 and wR = 0.069. Six Cu atoms form an octahedron with the V atom nearly located at the center. All of the three I atoms are terminal ligands. The C-2 symmetry axis is found in the molecule.
基金
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