Bartholomä Mark, Cheung Hoi, Zubieta Jon
Department of Chemistry, Syracuse University, Syracuse, New York 13244, USA.
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):m1199-200. doi: 10.1107/S1600536810034501.
The title dinuclear copper complex, [Cu(2)Cl(4)(C(28)H(32)N(6))]·3H(2)O, is located on a crystallographic inversion center. The unique Cu(II) ion is coordinated in a slightly distorted square-pyramidal environment in which the N atoms of the dipicolyl-amine group and a chloride ligand form the basal plane. The apical position is occupied by a second chloride atom. While the Cu-N distances of the pyridine N atoms are the same within expermental error, the Cu-N distance to the tertiary N atom is slightly elongated. The apical Cu-Cl distance is elongated due to typical Jahn-Teller distortion. One of the water O atoms was refined as disordered over two sites with occupancies 0.734 (17):0.266 (17) and another with half occupancy. H atoms for the disordered solvent atoms were not included in the refinement.
标题为双核铜配合物[Cu₂Cl₄(C₂₈H₃₂N₆)]·3H₂O，位于一个晶体学反演中心上。独特的Cu(II)离子在略微扭曲的四方锥环境中配位，其中二吡啶基胺基团的N原子和一个氯配体形成基面。顶端位置由第二个氯原子占据。虽然吡啶N原子的Cu-N距离在实验误差范围内相同，但与叔氮原子的Cu-N距离略有拉长。由于典型的 Jahn-Teller 畸变，顶端的Cu-Cl距离被拉长。其中一个水O原子在两个位置上无序精修，占有率为0.734 (17):0.266 (17)，另一个占有率为一半。无序溶剂原子的H原子未包含在精修中。
