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联苯甲酰双缩氨基脲硝酸钕水合物分子式为[Nd（C16H16N6O2）（NO3）3（H2O）]·H2O，Mr＝690．2，正交晶系，空间群为Fdd2，晶胞参数，利用2312个可观测衍射进行结构修正，最后R＝0.048。晶体中含有2个水分子，其中1个参加配位。3个硝酸根呈双齿配应；有机配体中有2个N原子和两个O原子参与配位，Nd的总配位数为11。
The molecular formula of bibenzoylhydrazine semicarbazide nitrate hydrate is [Nd (C16H16N6O2) (NO3) 3 (H2O)] H2O, Mr = 690.2, orthorhombic, space group Fdd2, unit cell parameters, The structure was corrected using 2312 observable diffractions, finally R = 0.048. Crystal contains two water molecules, one of which participate in coordination. The three nitrate groups are bidentate; two N atoms and two O atoms participate in coordination in the organic ligand, and the total coordination number of Nd is 11.