Dorset D L, Tivol W F, Turner J N
Electron Diffraction Department, Medical Foundation of Buffalo, Inc, NY 14203-1196.
Ultramicroscopy. 1991 Oct;38(1):41-5. doi: 10.1016/0304-3991(91)90107-h.
High-voltage (1200 kV) electron diffraction intensities from approximately 100 A thick crystals of copper perchlorophthalocyanine are used to determine the molecular packing at atomic resolution, thus greatly exceeding the structure detail observed by electron microscopy. Initial crystallographic phases were determined by direct methods often used in X-ray crystallography, i.e., locating the positions of heavy (Cl and Cu) atoms in the structure. All other atom positions were found in subsequent Fourier refinement (final R = 0.28). Calculated bond distances and angles are similar to those found in the earlier X-ray crystal structure of the unchlorinated parent compound.
利用来自约100埃厚的高氯酸铜酞菁晶体的高压（1200 kV）电子衍射强度，在原子分辨率下确定分子堆积，从而大大超越了电子显微镜所观察到的结构细节。初始晶体学相位通过X射线晶体学中常用的直接方法确定，即在结构中定位重原子（Cl和Cu）的位置。所有其他原子位置在随后的傅里叶精修中找到（最终R = 0.28）。计算得到的键长和键角与未氯化母体化合物早期X射线晶体结构中的相似。
