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(QuinH)_3 [Mo(i-mnt)_4]为黑色柱状晶体(式中Qui=喹啉 难溶于水,在空气中很稳定。晶体属单斜晶系,空间群Cc,晶胞参数:a=10.688(16),b=31.545(5),c=14.682(26),B=109.28(14)°;ρobs=1.50克/厘米~3,Z=4(ρcalc=1.489克/厘米~3)。晶体在CAD-4衍射仪上,用Mo-Kα射线,θ-2θ扫描方式,在1°<θ<23°范围内收集了4275个独立衍射点。晶体结构用Patterson函数法和Fourier合数法解出,经全矩阵最小二乘方修正,偏离因子R=0.075。结构分析结果说明Mo原子与四个双齿螯合配位基的八个硫原子形成近似于D_(2d)对称性的十二面体结构。
(QuinH) _3 [Mo (i-mnt) _4] is a black columnar crystal (Qui = quinoline is poorly soluble in water and stable in air.) The crystal is monoclinic with space group Cc, a = 10.688 (16), b = 31.545 (5), c = 14.682 (26), B = 109.28 (14) °; ρobs = 1.50 g / cm 3, Z = 4 ρcalc = 1.489 g / cm 3 ) Crystals were collected on a CAD-4 diffractometer using Mo-Kα radiation and θ-2θ scanning at 4275 individual diffraction points in the range of 1 ° <θ <23 °. The crystal structure was characterized using the Patterson’s function method and the Fourier- The results of the numerical method show that the deviation factor is R = 0.075, which is corrected by the least squares method of the whole matrix. The structural analysis results show that the eight sulfur atoms of the Mo atom and the four bidentate chelate ligands form a symmetry of D 2d Dodecahedron structure.