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(C9H8N)2[M0O(S2C2(CN)2)3].2H2O晶体属于三斜晶系,空间群P, 晶胞参数:a= 11.305(6),b=14.384(3),c=14.278(3)A,a=56.86(2),β=114.11(2),y=111.12(3) p0bs=1.654克/厘米3,Z=2(ρcalc=1.576克/厘米3).晶体结构用Patterson函数法和Fouries 合成法解出,经全矩阵最小二乘方精修,偏离因子R=0.047.结构分析结果说明Mo原子与三个配 位基的六个硫原子和一个端基氧形成扭歪五角双锥结构.结晶水与[Mo0(S2C2(CN)2)3]2-络阴 离子和喹啉阳离子之间存在O-H…N和N-H…O氢键。
(C9H8N) 2 [M0O (S2C2 (CN) 2) 3]. 2H2O crystals belong to the triclinic system with space group P and unit cell parameters: a = 11.305 (6), b = 14.384 (3), c = 14.278 (3) A, a = 56.86 Β = 114.11 (2), y = 111.12 (3) p0bs = 1.654 g / cm 3 and Z = 2 (ρcalc = 1.576 g / cm 3). The crystal structure was solved by Patterson function method and Fouries synthesis method, and the whole matrix least square was used to refine, the deviation factor was R = 0.047. The results of structural analysis show that Mo atoms form six twisted pyramid structures with six sulfur atoms and one terminal oxygen of the three ligands. O-H ... N and N-H ... O hydrogen bonds exist between water of crystallization and [Mo0 (S2C2 (CN) 2) 3] 2-complex anion and quinoline cation.