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制备了高氯酸.四氨.双(5-硝基四唑)合钴(Ⅲ)(BNCP)的单晶,用X-ray单晶面探衍射仪对其晶体进行了结构测定。证实该晶体属单斜晶系,空间群为P2(1)/n。晶胞参数为:a=10.0149(11);b=10.5387(11);c=14.8241(16)。V=1479.2(3)3,Z=4,DC=2.050 mg.mm-3,μ=1.421 mm-1,F(000)=928,并得到了BNCP的原子坐标、等效温度因子、键长、键角和扭转角等数据。根据测试参数,分析了BNCP的结构特点和分解机理。
A single crystal of perchloric acid, tetraammine bis (5-nitrotetrazole) cobalt (Ⅲ) (BNCP) was prepared and its crystal structure was determined by X-ray single crystal surface scanning diffractometer. The crystal is confirmed to be monoclinic with space group P2 (1) / n. The unit cell parameters are: a = 10.0149 (11); b = 10.5387 (11); c = 14.8241 (16). The atomic coordinates of BNCP, the equivalent temperature factor, the bond length, the bond length and the bond length of BNCP are obtained by the following formulas: V = 1479.2 (3) 3, Z = 4, DC = 2.050 mg.mm-3, μ = 1.421 mm- , Key angle and twist angle and other data. According to the test parameters, the structural characteristics and decomposition mechanism of BNCP are analyzed.