Derivatives of divalent germanium, tin, and lead. Part XII. Crystal and molecular structure of di-µ-bis(cyclopentadienyl)stannyl-bis(tetracarbonyliron)
Derivatives of divalent germanium, tin, and lead. Part XII. Crystal and molecular structure of di-µ-bis(cyclopentadienyl)stannyl-bis(tetracarbonyliron)
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二价锗、锡和铅的衍生物第 XII 部分。二-μ-双（环戊二烯基）甲锡基-双（四羰基铁）的晶体和分子结构。
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发表时间：
1975
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通讯作者：
J. A. Richards
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作者：
P. Harrison;T. King;J. A. Richards
X射线衍射研究表明，二环戊二烯基锡与九羰基二铁的反应产物为二聚物[{（C_5H_5）_2SnFe（CO）_4}_2]。通过Patterson和傅立叶技术从衍射仪数据确定结构，并使用2767个独立的非零反射将其精修至最终R为0.049。晶体属单斜晶系，空间群C2/c，a= 19.803（4），B= 8.938（1），c= 16.722（1）A，β= 103.91（1）°，Z= 4。该分子的整体对称性为Ci，并且该分子的特征在于中心菱形四元Fe 2Sn 2环r（Sn-Fe）2.651（1），2.670（1）A; Fe-Sn-Fe 102.04（3）°，Sn-Fe-Sn 77.96（2）°。铁和锡原子的几何形状分别从正八面体和正四面体变形。两个不等价的锡环以单结合方式连接到每个锡原子上，说明了（η5-C5 H5）2Sn与Fe 2（CO）9反应时锡环键合的变化。不寻常的是，该双烯环是平面的，而不是如先前对于[{（η-C5 H5）Fe（CO）2}2Sn（C5 H5）2]所推断的那样是褶皱的，但仍然保留了相当大的二烯特征，如从内环C-C键距离推断的。
The product of the reaction between dicyclopentadienyltin and enneacarbonyldi-iron has been shown to be the dimeric species [{(C5H5)2SnFe(CO)4}2] by an X-ray diffraction study. The structure was determined from diffractometer data by Patterson and Fourier techniques and refined to a final R of 0.049 using 2 767 independent non-zero reflections. Crystals are monoclinic, space group C2/c, a= 19.803(4), b= 8.938(1), c= 16.722(1)A, β= 103.91 (1)°, Z= 4. The overall symmetry of the molecule is Ci, and the molecule is characterised by a central lozenge-shaped four-membered Fe2Sn2 ring r(Sn–Fe) 2.651(1), 2.670(1)A; Fe–Sn–Fe 102.04(3)°, Sn–Fe–Sn 77.96(2)°. The geometry at the iron and tin atoms is distorted from regular octahedral and tetrahedral, respectively. The two cyclopentadienyl rings, which are not equivalent, are attached to each tin atom in a monohapto-fashion, illustrating the change in tin–ring bonding on reaction of (η5-C5H5)2Sn with Fe2(CO)9. Unusually, the cyclopentadienyl rings are planar, rather than puckered as has been deduced previously for [{(η-C5H5)Fe(CO)2}2Sn(C5H5)2] but still retain considerable diene character as inferred from the endocyclic C–C bond distances.