Molecular and Crystal Structures of CpSmX_2(THF)_3 (X = Br, I)

Dirk Stellfeldt; Gerd Meyer; Glen B. Deacon

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Molecular and Crystal Structures of CpSmX_2(THF)_3 (X = Br, I)

机译：CpSmX_2（THF）_3（X = Br，I）的分子和晶体结构

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The reaction of Cp_2sm(THF) with 1,2-dibromoethane or 1,2-diiodoethane leads to an equimolar mixture of Cp_3Sm(THF) and CpSmX_2(THF)_3 (X = Br, I). CpsmBr_2(THF)_3 crystallizes in the monoclinic system (P2_1, Z = 2, a = 804.6(1), b = 1507.6(2), c = 913.8(1) pm, #beta# = 107.36(1) deg, R_1 = 0.0327, wR_2 = 0.0578), while CpSmI_2(THF)_3 is orthorhombic (Pna2_1, Z = 4, a = 1950.6(3), b = 1377.1(2), c = 831.93(9) pm, R_1 = 0.0438, wR_2 = 0.0412). The ligand arrangement around the formally eight coordinate Sm atom is a distorted octahedron with the centroid of the Cp-ring and one THF-molecule in the apical positions, whilst the halides are transoid in the equatorial plane.

机译：Cp_2sm（THF）与1,2-二溴乙烷或1,2-二碘乙烷的反应产生Cp_3Sm（THF）和CpSmX_2（THF）_3（X = Br，I）的等摩尔混合物。 CpsmBr_2（THF）_3在单斜晶系中结晶（P2_1，Z = 2，a = 804.6（1），b = 1507.6（2），c = 913.8（1）pm，＃beta＃= 107.36（1）度，R_1 = 0.0327，wR_2 = 0.0578），而CpSmI_2（THF）_3是正交的（Pna2_1，Z = 4，a = 1950.6（3），b = 1377.1（2），c = 831.93（9）pm，R_1 = 0.0438，wR_2 = 0.0412）。形式为8个配位Sm原子周围的配体排列是扭曲的八面体，其Cp环的质心和一个THF分子的顶端位置，而卤化物在赤道平面上是反式的。

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《Zeitschrift fur Anorganische und Allgemeine Chemie》 |1999年第8期|共3页
作者
Dirk Stellfeldt; Gerd Meyer; Glen B. Deacon;
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正文语种 eng
中图分类化学;
关键词
lanthanoids; samarium; cyclopentadienide;

机译：镧系元素;mar;环戊二烯;

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Molecular and Crystal Structures of CpSmX_2(THF)_3 (X = Br, I)

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