NN′-乙烯双(水杨基氨基)-乙基钴(III)的晶体结构和分子结构

M. Calligaris, D. Minichelli, G. Nardin, L. Randaccio
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引用次数: 10

摘要

用重原子法从三维x射线数据中测定了NN′-乙烯双(水杨基氨基)乙基钴(III) [EtCo(salen)]的晶体和分子结构。晶体为单斜晶型,a= 13.97, b= 7.39, c= 18.96 a, β= 127·2°,Z= 4,空间群P21/c。各向异性最小二乘改进得到了1762个独立反射的r0·085。晶体由中心对称的二聚体单元组成,二聚化是通过钴原子与另一个[EtCo(salen)]单元(Co-O 2·342±0.003 A)的氧原子的配位实现的。钴原子的配位多面体由一个扭曲的八面体表示。轴向位置由另一个Co(salen)单元的氧原子和σ键乙基(Co - c1·990±0·007 A)占据;四个赤道位置为四齿salen配体,Co-O为1·901±0.005和1·935±0.004 A, Co-N为1·886和1·880±0.006 A。讨论了salen型配体的一些性质及其在八面体钴配合物中的反式影响。
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Crystal and molecular structure of NN′-ethylenebis(salicylideneiminato)-ethylcobalt(III)
The crystal and molecular structure of NN′-ethylenebis(salicylideneiminato)ethylcobalt(III), [EtCo(salen)], has been determined from three-dimensional X-ray data by the heavy-atom method. The crystals are monoclinic with a= 13·97, b= 7·39, c= 18·96 A, β= 127·2°, Z= 4, space group P21/c. Anisotropic least-squares refinement gave R 0·085 for 1762 independent reflexions. The crystals are built up by centrosymmetric dimeric units, dimerisation being achieved through the co-ordination of the cobalt atoms by an oxygen atom of the other [EtCo(salen)] unit (Co–O 2·342 ± 0·003 A).The co-ordination polyhedron of the cobalt atoms is represented by a distorted octahedron. The axial positions are occupied by an oxygen atom of the other Co(salen) unit and by the σ-bonded ethyl group (Co–C 1·990 ± 0·007 A); the four equatorial positions are occupied by the quadridentate salen ligand with Co–O 1·901 ± 0·005 and 1·935 ± 0·004 A and Co–N 1·886 and 1·880 ± 0·006 A. Some properties of salen-type ligands and the trans-influence in the octahedral cobalt complexes are discussed.
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