| 硼氢二茂铁铵盐的结构化学研究——Ⅲ.十二硼十二氢双(二茂铁甲基二甲基)铵晶体结构 |
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| 引用本文： | 张永茂,陈志伟,蔡兆平,潘克桢,张国敏,张招贵. 硼氢二茂铁铵盐的结构化学研究——Ⅲ.十二硼十二氢双(二茂铁甲基二甲基)铵晶体结构[J]. 结构化学, 1983, 0(3) |
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| 作者姓名： | 张永茂 陈志伟 蔡兆平 潘克桢 张国敏 张招贵 |
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| 作者单位： | 中国科学院福建物质结构研究所(张永茂，陈志伟，蔡兆平，潘克桢)，武汉大学化学系(张国敏)，武汉大学化学系(张招贵) |
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| 摘 要： | 标题的化合物晶体属斜方晶系,空间群为Pcnb,晶胞参数为:a=12.975(26),b=16.342(28),c=17.582(48),Z=4。晶体结构用直接法,三维Patterson函数和差值Fourier方法解出,经全矩阵最小二乘法修正,对1674个独立衍射点[I≥3σ(I)],最后偏离因子R=0.054。 该化合物属于离子型,阴离子和阳离子分别以六面体和四面体配位。
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Structural Chemistry Studies on Boron Hydrogen Ferrocence Ammonium SaltIII. The Crystal Structure of [C_5 H_5FeC_5 H_4CH_2 -NH(CH_3)_2]_2B_(12)H_(12) |
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| Abstract: | The crystal of (c5H5FeC5H4CH2NH(CH3)2]2B12H12 is orthorhombic, belonging to the space group Pcnb with a = 12=975(26), b = 16.342(28), c = 17.582(48) A , α=β= γ= 90°, V = 3728(A)3, Z = 4, The structure has been solved and refined to a R factor of 0.0538 for 1674 independent intensities greater than 3o(I). [C5H5FeC5H4CH2NH(CH3)2]2B12H12 is also an ionic compound. The anions B12H12 and cations C5H5FeC5H4CH2NH(CH3)2+ are of the distorted hexahedral co-ordination and of distorted tetragonal co-ordination respectively. The cyclo-pendienoic rings are plane regular pentagonal and the planes of two cyclppendienoic rings are approximately parallel. The dihedral angle between them is 4.4 . The average bond lengths are as follows: Fe - C = 2.053(4)A , C - C (RING) = 1.369(7)A , and 1.409(5)A. The anion B12H12 is icosahedron with an average bond length B - B = 1.786(6)A. |
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