| [VS_4Cu_6(Py)_8I_3]的合成和晶体结构 |
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| 引用本文： | 陈达贵,张汉辉,余秀芬.[VS_4Cu_6(Py)_8I_3]的合成和晶体结构[J].结构化学,2003,22(5):591-594. |
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| 作者姓名： | 陈达贵 张汉辉 余秀芬 |
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| 作者单位： | 1. 福州大学化学系,福州,350002;中科院物质结构研究所结构化学国家重点实验室,福州,350002
2. 福州大学化学系,福州,350002 |
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| 基金项目： | 结构化学国家重点实验室基金资助项目 |
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| 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。
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| 关 键 词： | 钒铜硫簇合物 合成 晶体结构 |
Synthesis and Crystal Structure of VS4Cu6Py8I3 |
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| CHEN Da-Guia,b ZHANG Han-Huia YU Xiu-Fena a.Synthesis and Crystal Structure of VS4Cu6Py8I3[J].Chinese Journal of Structural Chemistry,2003,22(5):591-594. |
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| Authors: | CHEN Da-Guia b ZHANG Han-Huia YU Xiu-Fena a |
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| Abstract: | The title compound VS4Cu6Py8I3] was obtained in the reaction system (NH4)3VS4/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) , V = 10425(4) ?, Dc = 2.006 g/cm3, Mr = 1573.92, Z = 8, (MoK) = 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 C2 symmetry axis is found in the molecule. |
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| Keywords: | V-Cu-S cluster synthesis crystal structure |
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