《Table 2 Selected bond lengths (nm) and angles (°) for MOF 1 and 2》

《Table 2 Selected bond lengths (nm) and angles (°) for MOF 1 and 2》   提示:宽带有限、当前游客访问压缩模式
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《两个基于Cd(Ⅱ)金属有机骨架化合物在金属离子和有机分子发光传感中的应用(英文)》


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Symmetry codes:#1:x,y-1,z;#2:x+1,y,z;#3:-x+1/2,y,-z+3/2 for 1;#1:-x+3/2,-y+1/2,-z+2;#2:x-1/2,y-1/2,z;#3:-x+3/2,-y+1/2,-z+1;#4:-x+1,-y,-z+1;#5:x+1/2,y+1/2,z for 2.

Single crystals of MOF 1 and 2 was collected on a Bruker SMART APEX CCD diffractometer using graphite monochromated Mo Kαradiation(λ=0.071 073nm)at 296 K.Structure solutions were solved by direct methods and the non-hydrogen atoms were located from the trial structures and then refined anisotropically withSHELXTLusingfull-matrixleast-squares procedures based on F2values[17].The hydrogen atom positions were fixed geometrically at calculated distances and allowed to ride on the parent atoms.During the refinement of MOF 1,the 4-vinylpyridine and hexyloxy groups(C18-C24,N2/C18′-C24′,N2′and C32-C36/C32′-C36′atoms)were found to be disordered between two positions,the resulting SOFs(site of occupancies)of these groups were refined to be 0.65/0.35 and 0.5/0.5,respectively.And some needed restraints(DFIX,SADI and SIMU)were applied to ensure a reasonable refinement of this disorder model.Two level A alerts were reported in CheckCIF report,both of which majorly reflect the disorder nature of this structure.The corresponding responses have been embedded into the final CIF file.The crystal and refined data are collected in Table 1.Selective bond distances and angles are given in Table 2.