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±à¼µÄÉó¸åÒâ¼ûÖÐÓÐÏÂÃæµÄÏîÄ¿£¬Çë´ó¼Ò¿´¿´Ôõô´¦Àíѽ 1. Your compound contains NO anomalous scatterers, i.e. atoms with Z>13. So you can not refine the Flack parameter. Moreover, you have to average the Friedel pairs and refine your crystal structure a few cycles more (and then upload new FCF file). You should mention it in Experimental section. As example: _publ_section_exptl_refinement ; ... In the absence of any significant anomalous scatterers in the molecule, the ???? ( - how many ?) Friedel pairs were merged before the final refinement. ; |
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