THE CRYSTAL STRUCTURE OF A NOVEL INCLUSION COMPOUND——TETRAKIS

来源 :Science in China,Ser.B | 被引量 : 0次 | 上传用户:dandu10
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The title compound crystallizes in the space group C_5~4 with unit cell constants a=17.900 (5)A, b=18.466 (7)A, c=15.483 (4)A, β=92.78 (2)°and contains four formulaunits of MoFeS_(10)Cl_4N_4C_(34)H_(54). Intensities of 3499 independent reflections are collected withdiffractometer using MoKa radiation. The y coordinates of the Mo atoms are derived fromthe Patterson function. The parameters of the other atoms are found from successive Fourierand difference syntheses. The block-diagonal least-squares refinement for all atoms gives a final discrepancy factorR = 0.054. The result of structure analysis shows that this inclusion compound consists of threekinds of structural units and the oppositely charged complex ions [Mo(S_2CN(Et)_2)_4]~+ and[FeCl_4]~- form a very interesting ionic host framework with infinite tunnels extending alongC direction and containing guest disulfide molecules PhCH_2SSCH_2Ph. The title compound crystallizes in the space group C_5 ~ 4 with unit cell constants a = 17.900 (5) A, b = 18.466 (7) A, c = 15.483 (4) A, β = 92.78 of MoFeS_ (10) Cl_4N_4C_ (34) H_ (54). Intensities of 3499 independent reflections are collected with a diffractometer using MoKa radiation. The y coordinates of the Mo atoms are derived from the Patterson function. The parameters of the other atoms are found from successive Fourierand The syntheses of the block-diagonal least-squares refinement for all atoms give a final discrepancy factor R = 0.054. The result of structure analysis shows that this inclusion compound consists of three kinds of structural units and the oppositely charged complex ions [Mo (S 2 CN (Et ) _2) _4] ~ + and [FeCl_4] ~ - form a very interesting ionic host framework with infinite tunnels extending along C direction and containing guest disulfide molecules PhCH_2SSCH_2Ph.
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