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新颍MoCuSe簇合物{MoCu3Se3I}(PPh3)3O·0.5CH2Cl2是由[Et4N]2MoSe4、Cu(PPh3)2NO3和KI在乙腈和二氯甲烷1∶1的混合溶剂中反应所得。晶体属单斜晶系,空间群P21/c;晶胞参数:a=11.994(2),b=28.358(8),c=19.500(3);β=102.04(1)°;V=6486.7(4)3;Z=4;Dc=158g/cm3;F(000)=2992。晶体结构用直接法解出,经全矩阵最小二乘法修正,用4057个I>3.0σ(I)的独立衍射点,最终偏离因子R=0.073,RW=0.079。标题化合物的核心{MoCu3Se3I}是一个崎变的立方烷构型。MoCu和MoSe的平均间距分别是2782和2385;三个CuI的间距为2803(4),2905(3),3015(4)。
New Ying Mo-Cu-Se cluster {MoCu3Se3I} (PPh3) 3O0.5CH2Cl2 is obtained by the reaction of [Et4N] 2MoSe4, Cu (PPh3) 2NO3 and KI in a mixed solvent of acetonitrile and dichloromethane 1: 1 . The crystal is monoclinic with space group P21 / c; unit cell parameters are a = 11.994 (2), b = 28.358 (8) and c = 19.500 (3) (1) °; V = 6486.7 (4) 3; Z = 4; Dc = 158g / cm3; F (000) = 2992. The crystal structure was solved by the direct method and corrected by full matrix least square method. The final deviation factor R = 0.073 and RW = 0.079 were obtained with 4057 independent diffraction points with I> 3.0σ (I). The core of the title compound {MoCu3Se3I} is a Kawasaki-like alkane configuration. The average spacing between MoCu and MoSe is 2782 and 2385, respectively. The spacings of three CuI are 2803 (4), 2905 (3), 3015 (4) .