首页> 外文期刊>Journal of Coordination Chemistry >Solvothermal synthesis and crystal structure of the novel closo 12-vertex nickeladodecaborane cluster H_2[Cl_2NiB_(11)H_6-2,3,4,5,6-(OiPr)_5]
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Solvothermal synthesis and crystal structure of the novel closo 12-vertex nickeladodecaborane cluster H_2[Cl_2NiB_(11)H_6-2,3,4,5,6-(OiPr)_5]

机译:新型closo 12-顶点镍基十二硼烷簇H_2 [Cl_2NiB_(11)H_6-2,3,4,5,6-(OiPr)_5]的溶剂热合成和晶体结构。

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摘要

The reaction of [NiCl_2(PPh_3)_2] with B_(11)H_(14)~- in iPrOH under solvothermal conditions gives a nickeladodecaborane cluster: H_2[Cl_2NiB_(11)H_6-2,3,4,5,6-(OiPr)_5] which was characterized by FT-IR, NMR spectroscopy and elemental analysis. It was also characterized by an X-ray diffraction study of a single crystal. The title cluster belongs to monqclinic, space group P2(1), with crystal cell parameters: a= 12.355(13)A, b= 18.471(19)A, c=12.956(14)A, beta = 93.524(18) deg, Z = 4, D_(Calcd) = 1.242 Mg m~(-3), F(000)= 1160, R_1 =0.0746, wR_2 = 0.1829. The cluster has a closo 12-vertex {NiB_(11)} icosahedral skeleton, in which Ni connects with two Cl atoms and five B atoms. OiPr groups substituted all five H atoms on the boron cage atoms adjacent to Ni.
机译:溶剂热条件下iPrOH中[NiCl_2(PPh_3)_2]与B_(11)H_(14)〜-的反应生成镍十二硼烷簇:H_2 [Cl_2NiB_(11)H_6-2,3,4,5,6-( OiPr)_5],通过FT-IR,NMR光谱和元素分析进行​​了表征。它的特征还在于单晶的X射线衍射研究。标题簇属于monqclinic空间组P2(1)/ n,其晶胞参数为:a = 12.355(13)A,b = 18.471(19)A,c = 12.956(14)A,beta = 93.524(18) )度,Z = 4,D_(计算值)= 1.242 Mg m〜(-3),F(000)= 1160,R_1 = 0.0746,wR_2 = 0.1829。该团簇具有closo 12顶点{NiB_(11)}二十面体骨架,其中Ni与两个Cl原子和五个B原子相连。 OiPr基团取代了与Ni相邻的硼笼原子上的所有五个H原子。

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