【摘要】 N-等基-N-（2-氰乙基）-二茂铁磺酰胺[C₅H₅FeC₅H₄SO₂N（C₂H₄CN）CH₂C₆H₅]为黄色柱状晶体,属单斜晶系,空间群P2₁/n,晶胞参数为:α=8.750（1）,b=12.876（5）,c=16.744（2）A,β=94.75（1）°,V=1880.0A³,Z=4,计算密度D_calc=1.442g/cm³。在CAD-4四园衍射仪上,用MoK_α射线收集衍射数据,用Patterson函数法和差值Fourior合成求解晶体结构。经以2226个独立衍射点用全矩阵最小二乘修正,最后使偏离因子R=0.0466.分子中S原子、N原子以不等性sp³杂化与周围原子健合。更多还原

【Abstract】 The crystal structure of C5H5FeC5H4SO2N(C2H4CN)CH2C6H5 was determined by X-ray analysis The crystal is monoclinic,belonging to space group P21/n with unit cell dimensions.a=8.750(1),b=12.876(5),c=16.744(2)A β=94.75(1),V=1880.0A3,Z=4,Dc=1.442g/cm3.The intensities of 2226 independent reflections with I≥2°(I)were collected on a GAD-4 four-circle diffractometer using Mo Ka radiation.The structure was solved by Patterson method and difference fourier synthesis,and refined by full-matrix Least-squares.Final discrepancy factor R=0.0466.All calculations were performed with a PDP 11/34 computer using SDP programs.The coordination features of S and N atoms of the molecule are discussed.The crystal structure of C5H5FeC5H4SO2N(C2H4CN)CH2C6H5 was determined by X-ray analysis The crystal is monoclinic,belonging to space group P21/n with unit cell dimensions.a=8.750(1),b=12.876(5),c=16.744(2)A β=94.75(1),V=1880.0A3,Z=4,Dc=1.442g/cm3.The intensities of 2226 independent reflections with I≥2°(I)were collected on a GAD-4 four-circle diffractometer using Mo Ka radiation.The structure was solved by Patterson method and difference fourier synthesis,and refined by full-matrix Least-squares.Final discrepancy factor R=0.0466.All calculations were performed with a PDP 11/34 computer using SDP programs.The coordination features of S and N atoms of the molecule are discussed.更多还原