[Pt(TMCPDA)(Ac-Cl)2]的分子结构和晶体结构 |
X-RAY STUDIES OF [Pt(TMCPDA)(Ac-Cl)2 ANTITUMOR COMPLEX |
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摘要: [Pt(TMCPDA)(Ac-Cl)2]属四方晶系,空间群为P432,2,单胞参数为:a=b=14.618(4),c=16.654(2)Å,V=3558.9Å3,Z=8,Dc=1.957gcm-3.在Enraf-Nonius CAD4衍射仪上用MoKa射线,收集了0≤2θ≤44°的独立衍射点2184个。铂原子坐标用直接法解法。非氢原子和部分氢原子的坐标用数轮差富利叶合成得到。部分氢原子坐标用理论计算定出。铂原子各向异性热振动参数和其他原子的各向同性热参数经全矩阵最小二乘法修正。最后偏离因子R=0.065,Rw=0.077.分子的绝对构型已测定,不对称碳原子为1s,3R. |
关键词: 铂配合物 分子结构 |
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Abstract: The new antitumor platinum complex of TMCPDA(1,2,2'-trimethyl-1,3-diaminocyclopentane,Ac-Cl=chloroacetate) was synthesized and studied by NMR and X-Ray crystallography.[Pt(TMCPDA)(Ac-Cl)2] belongs to the tetragonal,space group P432,2,a=b=14.618(4),c=16.654(2) Å,z=8. The diffraction data (MoKa) were collected on an Enraf-Nonius CAD-4 diffractometer. The structure was determined by direct method and several difference Fourier syntheses and refined by full-matrix least-squares program,R=0.065. The unsymmetrical carbon atoms are 1s,3R. |
Keywords: platinum complex molecular structure |
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曲筠,唐雯霞,戴安邦,汪明,王博义,郑培菊.[Pt(TMCPDA)(Ac-Cl)2]的分子结构和晶体结构[J].无机化学学报,1989,5(4):1-5. |
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