【摘要】 二茂铁基邻位和间位氯苯基甲醇（O.m-ClC₆H₄CHOHC₅H₄FeC₅H₅）皆为橙黄色晶体。二茂铁基间位溴苯基甲醇（m-BrC₅H₄CHOHC₅H₄FeC₅H₅）为金黄色晶体（以下为晶体（Ⅰ）、（Ⅱ）和（Ⅲ））。三种晶体的空间群分别为P₁²/c,P₁¹/n,P₁²/n,晶胞中都含有四个分子。它们的晶胞参数分别为:在室温下晶体用Enraf-Nonius CAD-4衍射仪收集衍射强度数据（M_cK_a）,用Patterson函数法解出Fe,x（x=Cl,Br）原子坐标,其他非氢原子坐际用差值Fourier合成得出,各原子坐标及热参数经全矩阵最小二乘修正,对2124,2026和2019个独立衍射点[1≥3σ（Ⅰ₀）],偏离因子分别为R（Ⅰ）=0.033,R（Ⅱ）=0.040,R（Ⅲ）=0.027,文中给出了这三个晶体的特征数据,并作了简要对比和讨论。更多还原

【Abstract】 The both crytal of ferrocene o,m-chlorobenzen-（m-bromobenzene） methanol are orangeyellow [i.e. crystal （Ⅰ）、（Ⅱ） and （Ⅲ）] belorging to the monoclinic, but the space group of crystal （Ⅰ）、（Ⅱ） and （Ⅲ） are P₂₁/c and P₂₁/n respectively. The both of them are four molecules in a unit cell and the unit cell parameters for crystal （Ⅰ）: a=9.696（1）, b=11.782（1）, c=12.983（2） （A）, β=108.04（1）%, V=1410.3A³, D_C=1.538g/cm³,（M_oK_o）=12.5cm^-1; for（Ⅱ）: a=8.387（1）, b=12.318（1）, c=13.821（2） （A）, β=104.44（1）°, V=1382.9A³, D_C=1.569g/cm³,μ（M_oK_o）=12.8cm^-1, for（Ⅲ）: a=8.472（2）, b=12.364（1）, c=13.817（4） （A）, β=104.70（3）°, V=1399.8A³, D_C=l.761g/cm³, μ（M_oK_o）=39.0cm^-1. The intensities were collected on an Enraf-Nonius CAD-4 deffractometer with M_oK_oradiation at room temperature. The positions of the Fe and CL atom has been determined by Patterson method. All nonhydrogen atoms were showed by difference Fourier syntheses. The structure has been refined by full-matrix least-squares procedures to R（Ⅰ）= 0.033 and R（Ⅱ）=0.040 for 2124and 2026 independent reflections with Ⅰ≥3（Ⅰ）, respectivlly. This paper reports on the characteristic data of the three crystal structure （Ⅰ）、（Ⅱ） and （Ⅲ）, and briefly discassed.更多还原