Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba- closo -dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba- closo -dodecaborane(10)], the former as its tetrahydrofuran disolvate
Synthesis and crystal structures of the racemic and meso forms of [1-{1'-4'-cyclopentadienyl-4'-cobalta-1',12'-dicarba- closo -dodecaboranyl(10)}-4-cyclopentadienyl-4-cobalta-1,12-dicarba- closo -dodecaborane(10)], the former as its tetrahydrofuran disolvate
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[1-{1-4-环戊二烯基-4-cobalta-1,12-二碳-十二硼基(10)}-4-环戊二烯基-4-外消旋和内消旋形式的合成和晶体结构
DOI：
10.1107/s2053229615014539
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发表时间：
2015
期刊：
影响因子：
--
通讯作者：
Mandal D
中科院分区：
文献类型：
--
作者：
Mandal D
rac-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11]·2THF（Cp是环戊二烯基，THF是四氢呋喃）或[Co2(C5H5)2(C4H22B20)]·2C4H8O, (1) 和内消旋-[1-(1'-4'-Cp-4',1',12'-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] 或[Co2(C5H5)2(C4H22B20)], (2)，通过热解前体物质 [1-(1'-4'-Cp-4',1',6'-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] 的外消旋/内消旋混合物制备，并进行分离、光谱表征和研究晶体学上。笼C原子的识别是通过顶点到质心距离和硼氢距离方法完成的，并且在这两种情况下，晶体学建立的结构与光谱数据完全一致。外消旋（1）和内消旋（2）形式都具有相同的整体构象（Co-CC'-Co'约136°），并显示出分子内空间拥挤导致倾斜环戊二烯基配体的明显证据。
Both rac-[1-(1′-4′-Cp-4′,1′,12′-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11]·2THF (Cp is cyclopentadienyl and THF is tetrahydrofuran) or [Co2(C5H5)2(C4H22B20)]·2C4H8O, (1), and meso-[1-(1′-4′-Cp-4′,1′,12′-closo-CoC2B10H11)-4-Cp-4,1,12-closo-CoC2B10H11] or [Co2(C5H5)2(C4H22B20)], (2), were prepared by thermolysis of a rac/meso mixture of the precursor species [1-(1′-4′-Cp-4′,1′,6′-closo-CoC2B10H11)-4-Cp-4,1,6-closo-CoC2B10H11] and were separated, spectroscopically characterized and studied crystallographically. Cage C-atom identification was accomplished by both the vertex-to-centroid distance and boron–hydrogen distance methods, and, in both cases, the structure established crystallographically is fully consistent with the spectroscopic data. Both the rac-(1) and meso-(2) forms share the same overall conformation (Co—C—C′—Co′ ca 136°) and show clear evidence of intramolecular steric crowding resulting in tilted cyclopentadienyl ligands.