首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Tetra­aqua­bis­(thio­urea-κS)cadmium(II) triaqua­tris(thio­urea-κS)cadmium(II) disulfate
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Tetra­aqua­bis­(thio­urea-κS)cadmium(II) triaqua­tris(thio­urea-κS)cadmium(II) disulfate

机译:四水合双(硫脲-κS)镉(II)三水合三(硫脲-κS)二硫酸镉(II)

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摘要

The title compound, [Cd(CH4N2S)2(H2O)4][Cd(CH4N2S)3(H2O)3](SO4)2, contains two mol­ecules of each of the Cd complexes and four sulfate ions in the asymmetric unit: all the Cd atoms exhibit distorted octa­hedral geometries. The Cd—S and Cd—O bond lengths around the Cd atoms in the bis­(thio­urea) cations are in the ranges 2.580 (4)–2.599 (4) and 2.323 (8)–2.421 (9) Å, respectively, and the S atoms are in a cis orientation. In the tris­(thio­urea) cations, the corresponding bond lengths around the Cd atoms are slightly longer and are in the ranges 2.559 (4)–2.706 (3) and 2.303 (7)–2.480 (10) Å, respectively, and the S atoms are in a fac disposition. The crystal structure features numerous N—H⋯O, N—H⋯N, O—H⋯O and O—H⋯N hydrogen bonds. Two O atoms of a sulfate anion were found to be disordered over two orientations in a 0.620 (9):0.380 (9) ratio. The crystal studied was a racemic twin with BASF = 0.17 (5)
机译:标题化合物[Cd(CH4N2S)2(H2O)4] [Cd(CH4N2S)3(H2O)3](SO4)2包含两个Cd配合物分子和四个不对称单元中的硫酸根离子:全部Cd原子呈现出扭曲的八面体几何形状。双(硫脲)阳离子中Cd原子周围的Cd-S和Cd-O键长分别在2.580(4)–2.599(4)和2.323(8)–2.421(9)Å范围内,并且S原子为顺式。在三(硫脲)阳离子中,Cd原子周围的相应键长略长,分别在2.559(4)–2.706(3)和2.303(7)–2.480(10)Å范围内原子处于事实性配置。晶体结构具有众多的N-H⋯O,N-H⋯N,OH-H⋯O和O-H⋯N氢键。发现硫酸根阴离子的两个O原子在两个方向上的比率为0.6209(9):0.3809(9)。研究的晶体是外消旋双晶,BASF = 0.17(5)

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