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首页> 外文期刊>Journal of chemical crystallography >Structural Studies of [Ru(1,8-naphthyridine)(4)](2+) and [Ru(1,5-cyclooctadiene)(1,8-naphthyridine)(2)](2+) as their Tetraphenylborate Salts
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Structural Studies of [Ru(1,8-naphthyridine)(4)](2+) and [Ru(1,5-cyclooctadiene)(1,8-naphthyridine)(2)](2+) as their Tetraphenylborate Salts

机译：[Ru（1,8-萘啶）（4）]（2+）和[Ru（1,5-环辛二烯）（1,8-萘啶）（2）]（2+）的四苯基硼酸盐的结构研究

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摘要

The previously reported [Ru(naph)(4)](2+) complex (naph = 1,8-naphthyridine) has been prepared by a simplified route using [RuCl2(1,5-COD)](x) (COD = cyclooctadiene) as starting material and isolated as its tetraphenylborate salt. The salt crystallizes in the monoclinic space group P2(1) with a = 13.6531(3) angstrom, b = 12.5389(4) angstrom, c = 20.0349(5) angstrom, beta = 96.5884(15)degrees, V = 3407.22(16) angstrom, D-calc = 1.300 at 150(1) K. The dication has crystallographically imposed inversion symmetry. Although the iron analogue has been found to have a coordination number of eight, the ruthenium complex is only six-coordinate, which is achieved by the presence of two monodentate and two bidentate 1,8-naphthyridine ligands. The observation of a higher coordination number for Fe(II) vs. Ru(II) can be explained by the high spin nature of the iron complex. A byproduct complex, [Ru(1,5-COD)(naph)(2)] [B(C6H5)(4)](2), could also be synthesized, isolated pure, and structurally characterized. The organometallic complex possesses an 18 electron configuration by virtue of the dicationic metal center being coordinated by the diene ligand and all four nitrogen lone pairs. This salt crystallizes in the triclinic space group P (1) over bar with a = 12.9538(3) angstrom, b = 14.9485(3) angstrom, c = 17.4291(3) angstrom, alpha = 69.0649(11)degrees, beta = 78.3211(9)degrees, gamma = 78.5629(10)degrees, V = 3057.50(11) angstrom(3), D-calc = 1.293 at 150(1) K.
机译：先前报道的[Ru（naph）（4）]（2+）络合物（naph = 1,8-萘啶）已通过简化路线使用[RuCl2（1,5-COD）]（x）制备（COD =环辛二烯）作为起始原料，并分离为其四苯基硼酸盐。盐在单斜空间群P2（1）/ n中结晶，a = 13.6531（3）埃，b = 12.5389（4）埃，c = 20.0349（5）埃，beta = 96.5884（15）度，V = 3407.22 （16）埃，在150（1）K时D-calc = 1.300。该指示剂在晶体学上具有反演对称性。尽管已发现铁类似物的配位数为8，但钌络合物只有6配位，这是通过存在两个单齿和两个双齿1,8-萘啶配体实现的。 Fe（II）与Ru（II）的配位数更高的观察结果可以用铁络合物的高自旋特性来解释。副产物复合物[Ru（1,5-COD）（naph）（2）] [B（C6H5）（4）]（2）也可以合成，分离纯净并进行结构表征。由于双键配体和所有四个氮孤对配位的双键金属中心，有机金属配合物具有18个电子构型。该盐在a = 12.9538（3）埃，b = 14.9485（3）埃，c = 17.4291（3）埃，alpha = 69.0649（11）度，在bar的三斜空间群P（1）中结晶，α= 69.0649（11）度，β= 78.3211 （9）度，伽马= 78.5629（10）度，V = 3057.50（11）埃（3），在150（1）K时D-calc = 1.293。

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