【摘要】 <正> 具有MoFe₃S₄单立方烷簇骼的化合物与固氮酶的钼铁蛋白及铁钼辅基存在着某些类似性,从而引起人们的极大注意。1973年卢嘉锡提出的固氮酶活性中心模型—福州模型（Ⅰ）—就具有网兜状缺口MoFe₃S₃单立方烷结构。迄今,还没有见到用简单化合物一步合成,即所谓自兜（Spontaneous self-assembly）合成单立方烷的报导。更多还原

【Abstract】 At room temperature under anaerobic and anhydrous conditions, FeCl, (NH4)2MoS4, Et2NCS2Na (Et2dtcNa) and Et4NBr react in DMF solution. Through one-step reaction it gives black plate-like crystal, of (A). Elemental analysis for MoFe3S14C29H58N7 - calcd: Mo,7.35; Fe, 12.84; S, 34.41; C, 32.22; H, 5.64; N, 7.51. Expt.: Mo, 7.01; Fe, 13.05; S, 35.14; C, 33.05; H, 5.58; N, 7.20.The crystal structure is solved by direct method on a CAD-4 four- circle diffractometer. The crystal is monoclinic with P21/c, a=22.897(3), b=12.399(2), c=20.928(4)A, β=97.15.(1) and Z=4. A full matrix least-squar.es refinement for 9966 reflections gives R factor of 0.069. The Mo-Fe distance is 2.624A which is the shortest among all Fe-Mo-S cluster compounds reported.The anion has a {MoFe3S4}4+ core with four metal atoms di-vided into two pairs, one of which contains one Mo and one Featom while the other consists of two Fe atoms. The coordination number for each atom of Mo and Fe in the former is six, and theyoccupy the metal sites statistically. The coordination number for each Fe atom in the latter is five. Besides being coordinated to bridging S atoms, all 4 metal atoms are chelated by Et2dtc ligands.Compoud (A) is quite stable, which may be due to the highdegree of coordination saturation of the metal atoms and the chelating effect.更多还原