直接法中的尝试法(Ⅰ)

应用直接法测定晶体结构,在归一化结构因子的计算、相位测定以及分子模型的建立中均需应用尝试原理。本文就归一化结构因子的计算提出了尝试分子式的计算方法,并成功地用于五个未知晶体结构测定,这对扩展直接法的使用效力是极为有益的。 关键词：

THE TRIAL AND ERROR PROCEDURES IN THE DIRECT METHOD (Ⅰ)

Some trial and error procedures are often used in the proccess of structure determination (calculating normalized structure factor, determining phase and builting molecular model) by the direct method. The present paper provides a procedure to calculate a trial molecular formula (TMF) on the basis of the diffraction data. Five unknown structures have been solved succesfully by means of the TMF. This method is helptul in extending the application of the direct method.