| 顺式二(乙二胺)二硝基合钴(Ⅲ)酒石酸锑盐晶体结构和分子的绝对构型 |
| STRUCTURE AND ABSOLUTE CONFIGURATION OF Δ-CIS-BIS(ETHYLENEDIAMINE) DINITRO COBALT(Ⅲ) DI-［(R,R)-TARTRATO(4-)-DIAMTIMONATE］ DIHYDRATE |
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| 摘要: 顺式二(乙二胺)二硝基合钴(Ⅲ)酒石酸锑盐，Δ-cis-［Co(en)2(NO2)2］2-d-［Sb2(C4H2O6)2］·2H2O，是由酒石酸锑钾对外消旋混合物cis-［Co(en)2(NO2)2］Cl进行拆分的产物。标题化合物(Sb2Co2C16N12O22H40)的晶体结构由衍射方法确定。晶体学参数为：正交晶系，空间群P212121,a=10.033(5), b=13.203(2),c=25.928(7)(),V=3434(2)3,Z=4,Mr=1114.06, Dc=2.156Mgm-3,μ=21.07 mm-1,F(000)=2208, R=0.072,RW=0.084。结构表明，分子由2个Co(Ⅲ)配离子和一个酒石酸锑阴离子及两个水分子组成，阴离子为一双核螯合离子。Sb原子一对孤对电子与其周围四个配位氧原子形成变形三角双锥结构。通过Co和Sb原子对CuKα射线的反常散射效应确定了分子的绝对构型。二个Co(Ⅲ)离子均为Δ构型，酒石酸锑阴离子为R构型。结构分析表明，标题化合物中三点接触离子对在手性识别中起重要作用。 |
| 关键词: 钴 锑 晶体结构 绝对构型 |
| 基金项目: |
| Abstract: A new complex, Δ-cis-bis(ethylenediamine)dinitro cobalt(Ⅲ) di-μ-［(R,R)-tartrato(4-)-diantimonate dihydrate, Δ-cis-［Co(en)2(NO2)2］2-d-［Sb2(C4H2O6)2］·2H2O, was obtained when racemic mixture cis-［Co(en)2(NO2)2］Cl was resolved with di-μ-［(R,R)-tartrato(4-)］-diantimonate(Ⅲ). The structure of the title compound has been determined by X-ray diffraction methods with the cell parameters as follows: orthorhombic, space group P212121, a=10.033(5), b=13.203(2), c=25.928(7)?, V=3434(2)?3, Z=4. The structure was solved by Patterson-Fourier syntheses methods and refined by full-matrix least-squares with anisotropic thermal parameters for Co and Sb atoms, isotropic thermal parameters for remaining non-hydrogen atoms and all hydrogen atoms to converge to R=0.072. The structure shows that the molecule consists of two［Co(en)2(NO2)2］+ cations, one ［Sb2(tart)2］2- anion and two water molecules. The CoN6 core differs significantly from octahedral geometry due to the strain of compression of the ethylenediamine bite. Sb atom coordinated to four oxygen atoms forms a distorted trigonal bipyramidconfiguration together with the lone electron pairs on the Sb atom. Bases on the anomalous scattering effects fo Co and Sb atoms to CuKα radiation, the absolute configuration of the title complex was assigned. The special arrangement of the cations and anions in the crystal structure shows that “three point contacts” between cations and anions plays an important role in chiral recognition. |
| Keywords: Co Sb crystal structure absolute configuration |
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| 刘小兰,刘延秋,周卫红,定瑾晖,缪方明.顺式二(乙二胺)二硝基合钴(Ⅲ)酒石酸锑盐晶体结构和分子的绝对构型[J].无机化学学报,1997,13(3):270-275. |
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