Bernès Sylvain
DEP Facultad de Ciencias Químicas, UANL, Guerrero y Progreso S/N, Col. Treviño, 64570 Monterrey, NL, Mexico.
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 24;66(Pt 1):m100. doi: 10.1107/S160053680905483X.
The crystal structure of bis-(2-formyl-phenolato-κ(2)O,O')nickel(II), [Ni(C(7)H(5)O(2))(2)], a square-planar centrosymmetric complex, has been reported previously [Li & Chen (2006). Acta Cryst. E62, m1038-m1039]. However, a number of warning signs allows the assumption that the carbonyl group in the salicylaldehydate ligand of the claimed complex is incorrect. The crystal structure was therefore redetermined on basis of the originally deposited structure factors. After substituting the carbonyl O atom by an N atom, the model can be completed with an imine H atom, which was clearly discernible in a difference map. The resulting model, corresponding to bis-[2-(imino-meth-yl)phenolato-κ(2)N,O']nickel(II), [Ni(C(7)H(6)NO)(2)], converges well and none of the previous structural alerts remains. This reinter-pretation is also consistent with the published synthesis, which was carried out using salicylaldehyde in the presence of aqueous NH(3). The reinter-preted structure is virtually identical to earlier reports dealing with this bis-iminato Ni(II) complex.
双（2-甲酰基苯酚根-κ(2)O,O'）镍（II），[Ni(C₇H₅O₂)₂]，一种平面四方中心对称配合物的晶体结构，此前已有报道[Li & Chen (2006). Acta Cryst. E62, m1038 - m1039]。然而，一些警示信号表明所声称的配合物中水杨醛配体的羰基存在错误。因此，基于最初存档的结构因子重新测定了晶体结构。在用一个N原子取代羰基O原子后，该模型可以通过一个亚胺H原子来完善，这在差值图中清晰可见。所得模型对应双[2-（亚氨基甲基）苯酚根-κ(2)N,O']镍（II），[Ni(C₇H₆NO)₂]，收敛良好，之前的结构警示均不存在。这种重新诠释也与已发表的合成方法一致，该合成是在氨水存在下使用水杨醛进行的。重新诠释后的结构与早期关于这种双亚胺基镍（II）配合物的报道几乎相同。
