Dawe Louise Nicole, Adhikary Bibhutosh, Collins Julie L, Lucas C Robert
Department of Chemistry, Memorial University of Newfoundland, St John's, NL, A1B 3X7, Canada ; C-CART X-Ray Diffraction Lab, Memorial University of Newfoundland, St John's, NL, A1B 3X7, Canada.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):m360-1. doi: 10.1107/S1600536813014712. eCollection 2013.
The asymmetric unit of the title compound, [Pd(C22H26N2O2S3)]2·CH3CN, contains two complex mol-ecules and a single uncoordinated lattice aceto-nitrile solvent mol-ecule. The Pd(II) cations have a trans-N2O2 square-planar geometry and the superposition of the two crystallographically independent Pd(II) complexes yields an overall r.m.s. deviation of 0.292 Å. The Pd⋯Pd separation in the asymmetric unit is 3.3776 (3) Å, while the PdN2O2 plane-plane fold angle is 1.62 (7)°. A short inter-molecular S⋯S contact between the central S atom of one complex and its inversion-related symmetry equivalent of 3.663 (2) Å is observed. Part of the ligand chain (S-C-C-S) in each complex mol-ecule is disordered over two orientations and refined occupancies that converged to 0.450 (10) and 0.550 (10) for the one complex mol-ecule, and 0.789 (9) and 0.211 (9) for the other.
标题化合物[Pd(C₂₂H₂₆N₂O₂S₃)]₂·CH₃CN的不对称单元包含两个配合物分子和一个未配位的晶格乙腈溶剂分子。Pd(II)阳离子具有反式-N₂O₂平面正方形几何构型，两个晶体学独立的Pd(II)配合物的叠加产生的整体均方根偏差为0.292 Å。不对称单元中Pd⋯Pd的间距为3.3776(3) Å，而PdN₂O₂平面与平面的折叠角为1.62(7)°。观察到一个配合物的中心S原子与其反演相关对称等效体之间存在短的分子间S⋯S接触，距离为3.663(2) Å。每个配合物分子中的部分配体链(S-C-C-S)在两个取向上无序，对于一个配合物分子，细化占有率收敛到0.450(10)和0.550(10)，对于另一个配合物分子，细化占有率收敛到0.789(9)和0.211(9)。
