Author(s)
Meng Ge
Xiaodong Zou
Zhehao Huang
Affiliation(s)
Department of Materials and Environmental Chemistry, Stockholm University, Stockholm SE-106 91, Sweden ;
Abstract:
We report a high-throughput approach for structural analysis of MOF nano- and sub-microcrystals by three-dimensional electron diffraction (3D ED). A new zeolitic-imidazolate framework (ZIF), denoted ZIF-EC1, was first discovered in a trace amount during the study of a known ZIF-CO3-1 material by 3DED. The structures of both ZIFs were solved and refined using 3D ED data. During the next step, we investigated the effects of improving completeness on structural analysis of ZIF-EC1. 3D ED data of ZIF-EC1 with different completeness and resolution were analyzed. The data completeness increased to 92.0% by merging ten datasets. Although the structures could be solved from individual datasets with a completeness as low as 44.5% and refined to a high precision (better than 0.04 Å), we demonstrate that a high data completeness could improve the structural model, especially on the electrostatic potential map.