Structure of isostructural lanthanide-oxalate frameworks comprising eight kinds of lanthanide ions and oxalate and its strontium adsorbed structure
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https://figshare.com/articles/dataset/Structure_of_isostructural_lanthanide-oxalate_frameworks_comprising_eight_kinds_of_lanthanide_ions_and_oxalate_and_its_strontium_adsorbed_structure/24922392
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These CIF files contain the structural information for a series of lanthanide-oxalate frameworks, LOF-Ln-NH4 (NH4[Ln(ox)2]-H2O, (Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, or Tm, ox = oxalate)) and LOF-Tb-Sr (Sr0.5[Tb(ox) 2・6H2O]), determined by the single crystal X-ray diffraction. These structures were solved by a direct method and expanded using Fourier techniques.Full-matrix least-squares refinements were carried out using SHELX-97.
本数据集收录了一系列镧系草酸盐骨架材料的结构信息,相关文件为晶体学信息文件(CIF),涵盖两类材料:其一为LOF-Ln-NH4,其化学式为NH4[Ln(ox)2]·H2O(其中Ln代表钐、铕、钆、铽、镝、钬、铒或铥,ox为草酸盐);其二为LOF-Tb-Sr,其化学式为Sr0.5[Tb(ox)2]·6H2O。所有结构均通过单晶X射线衍射测定,采用直接法完成结构解析,并借助傅里叶技术进行结构拓展,最终使用SHELX-97软件开展全矩阵最小二乘精修。
创建时间:
2024-05-17



