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在不同的温度条件下，我们制得了（ＱｕｉｎＨ）_４［Ｍｏ_２Ｏ_４（ＮＣＳ）_６］的同分异构体（Ⅰ）和（Ⅱ）（此中，（Ｑｕｉｎ）＝喹啉（Ｃ９Ｈ７Ｎ））．（Ⅰ）属单斜晶系，空间群Ｐ２１／ｂ；晶胞参数，ａ＝１０．９９１（１１）Ａ°，ｂ＝２１．３７０（８）Ａ，ｃ＝２０．４３４（６）Ａ°，γ＝９０．０１（５）°；Ｍｒ＝１１２５．０，ｄｍ＝１．５６ｇ／ｃｍ３，Ｚ＝４（ｄｃａｌｃ＝１．５５７ｇ／ｃｍ３）．（Ⅱ）属单斜晶系，空间群Ｐ２１／ｂ，晶胞参数：ａ＝１０．１９Ａ°，ｂ＝１５．２４Ａ°，Ｃ＝１６．３６Ａ°，γ＝１１１．５°Ｍｒ＝１１２５．０，ｄｍ＝１．６０５ｇ／ｃｍ３，Ｚ＝２（ｄｃａｌｃ＝１．５８０ｇ／ｃｍ３）．用ＭｏＫａ射线在Ｅｎｒａｆ Ｎｏｎｉｕｓ ＣＡＤ－４四园衍射仪收集晶体（Ⅰ）的衍射数据．通过三维Ｐａｔｔｅｒｓｏｎ函数和Ｆｏｕｒｉｅｒ函数合成方法，确定了（Ⅰ）的晶体和分子结构．最后，根据 Ⅰ＞３σ（Ⅰ）的２９５６个独立衍射点的强度数据，用最小二乘法把结构精修到Ｒ＝０．０５７．（Ⅰ）的阴离子［ＭＯ２Ｏ４（ＮＣＳ）６］４－是双氧桥双核结构，由共棱（Ｏｂ－Ｏｂ）的一对扭曲八面体组成．分子具有接近Ｃ２Ｖ的对称性．Ｑｕｉｎ?
(Quin) = quinoline (C9H7N) was prepared under different temperature conditions. (QuinH) _4 [Mo_2O_4 (NCS) _6] isomers (Ⅰ) and (Ⅱ) (I) belongs to the monoclinic system with space group P21 / b; unit cell parameters a = 10.991 (11) A °, b = 21.370 (8) A and c = 20.434 (6) A ° , Γ = 90.01 (5) °; Mr = 1125.0, dm = 1.56 g / cm3, Z = 4 (dcalc = 1.557 g / cm3). (Ⅱ) belongs to the monoclinic system with the space group P21 / b. The unit cell parameters are a = 10.19A °, b = 15.24A °, C = 16.36A ° and γ = 111.5 ° Mr = 1125. 0, dm = 1.605 g / cm3, Z = 2 (dcalc = 1.580 g / cm3). Diffraction data for crystal (I) was collected on an Enraf Nonius CAD-4 four-garden diffractometer using MoKa radiation. Through three-dimensional Patterson function and Fourier function synthesis method, the crystal and molecular structure of (Ⅰ) were confirmed. Finally, based on the intensity data of 2956 independent diffraction points of I> 3σ (I), the structure was refined to R = 0.057 by least square method. (I) Anion [MO2O4 (NCS) 6] 4- is a double oxygen bridge binuclear structure consisting of a pair of distorted octahedra of Ob-Ob. The molecules have symmetry close to C2V. Quin?