Parvez Masood, Jalilehvand Farideh, Amini Zahra
Department of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m949-50. doi: 10.1107/S1600536812026682. Epub 2012 Jun 20.
The title compound, [Cd(CH(4)N(2)S)(2)(H(2)O)(4)]Cd(CH(4)N(2)S)(3)(H(2)O)(3)(2), contains two mol-ecules of each of the Cd complexes and four sulfate ions in the asymmetric unit: all the Cd atoms exhibit distorted octa-hedral geometries. The Cd-S and Cd-O bond lengths around the Cd atoms in the bis-(thio-urea) 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-(thio-urea) 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).
标题化合物[Cd(CH₄N₂S)₂(H₂O)₄]Cd(CH₄N₂S)₃(H₂O)₃₂的不对称单元中包含两个镉配合物分子和四个硫酸根离子：所有镉原子均呈现扭曲的八面体几何构型。双（硫脲）阳离子中镉原子周围的Cd - S键长在2.580 (4) - 2.599 (4) Å范围内，Cd - O键长在2.323 (8) - 2.421 (9) Å范围内，且硫原子呈顺式取向。在三（硫脲）阳离子中，镉原子周围相应的键长略长，分别在2.559 (4) - 2.706 (3) Å和2.303 (7) - 2.480 (10) Å范围内，且硫原子呈面式排布。晶体结构具有大量的N - H⋯O、N - H⋯N、O - H⋯O和O - H⋯N氢键。发现一个硫酸根阴离子的两个氧原子在两种取向上无序分布，比例为0.620 (9):0.380 (9)。所研究的晶体为外消旋孪晶，BASF = 0.17 (5)。
