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化合物[UO_2(NO_3)_2(H_2O)_2]·(DB18C6)_2晶体属单斜晶系,空间群为P2_1/k。晶体学参数:a=11.782(2),b=8.584(2),c=22.631(2),β=98.29(2)°,Z=2。用3024个I≥3σ(I)的三维X射线独立衍射数据进行结构解析,最终的R=0.066。结构分析表明,两个双齿配体硝酸根及两个水分子配位于线型铀酰离子的赤道平面上,铀的配位数是8,配位几何构型为稍有扭曲的六方双锥。配位水分子的4个氢原子分别与上下两层冠醚环上的氧原子生成氢键。形成夹心式分子缔合物。
The crystal of compound [UO_2 (NO_3) _2 (H_2O) _2] · (DB18C6) _2 belongs to monoclinic system with space group P2_1 / k. Crystallographic parameters: a = 11.782 (2), b = 8.584 (2), c = 22.631 (2), β = 98.29 (2) °, Z = 2. Structural analysis was conducted using 3024 independent X-ray diffraction data with I≥3σ (I). The final R = 0.066. The structural analysis shows that the two bidentate ligands nitrate and two water molecules coordinate in the equatorial plane of linear uranyl ion. The coordination number of uranium is 8 and the coordination geometry is a slightly twisted hexagonal bipyramid . The four hydrogen atoms of coordinated water molecules respectively form hydrogen bonds with the oxygen atoms on the upper and lower crown ring rings. Form sandwich molecular association.