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化学学报
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化学学报 ›› 1987, Vol. 45 ›› Issue (12): 1152-1157. 上一篇    下一篇

研究论文

钼铁硫原子簇化合物的合成与结构化学研究II: 以Fe(SR)6为桥的双类立方烷化合物的合成及(Et4N)4[Mo2Fe7S8(SC6H4CH3-m)12].2THF的晶体结构

康北笙;黄梁仁;蔡进华;杨瑜;卢嘉锡   

  1. 中国科学院福建物质结构研究所
  • 发布日期:1987-12-15

Synthesis and structural studies of Mo-Fe-S cluster compounds II: Synthesis of Di-pseudo-cubane clusters with Fe(SR)6 Bridge and structure of (Et4N)4[Mo2Fe7S8(SC6H4CH3-m)12].2THF

KANG BEISHENG;HUANG LIANGREN;CAI JINHUA;YANG YU;LU JIAXI   

  • Published:1987-12-15

PDF

671

被引次数

6

在乙腈溶液中(Et4N)2[Fe4(SR)10]与(Et4N)2[MoS4]反应半小时生成对氧极为敏感的系列黑色晶状化合物(Et4N)4[Mo2Fe7S8(SR)12](R=C6H5,1;R=C6H4CH3-m, 2;R=C6H4CH3-o, 3;R=C6H4CH3-ρ,4). 2.2THF晶体的分子量为2982.8, 属单斜晶系;空间群为P21/n; a=18.022(2), b=18.375(2), c=22.254(3)A; β=71.04(1)°;V=6969(2)A^3;Dc=1.424g.cm^-^3;Z=2;F(000)=3108.晶体结构用直接法解出,修正至R=0.064. 2.2THF中Mo...Mo'距离为7.234A.

关键词: 晶体结构测定, Ｘ射线衍射分析, 铁络合物, 硫醚, 固氮酶, 钼络合物, 化学键, 结构与性能关系, 簇状化合物, 硫络合物

Reaction of equal molar amts. of (Et4N)2[Fe4(SR)10] and (Et4N)2MoS4 in MeCN gave very air-sensitive dark crystals of (Et4N)4[Mo2Fe7S8(SR)12] (I; R = Ph, o-, m-, p-tolyl). The crystal and mol. structure of I.2THF (R = m-tolyl) was solved by direct method and refined to R = 0.064 (monoclinic, space groups P21/n, a 18.022(2), b 18.375(2), c 22.254(3) ? b 71.04(1)? Z = 2; d.(calcd.) = 1.424 g cm-3. The Mo...Mo' distance is 7.234 ?

Key words: CRYSTAL STRUCTURE DETERMINATION, X-RAY DIFFRACTION ANALYSIS, IRON COMPLEX, SULFUR ETHER, NITROGENASE, MOLYBDENUM COMPLEX, CHEMICAL BONDS, STRUCTURE AND PROPERTY CORRELATION, CLUSTER COMPOUND, SULFIDE COMPLEX

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