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[(C_5H_4CH_3)_2HoN_4CPh]_2·[(C_5H_4CH_3)(C_5H_5)HoN_4CPh]_2的合成和晶体结构
引用本文:黄小荥,周锡庚,张立新,冯小江,蔡瑞芳,黄祖恩. [(C_5H_4CH_3)_2HoN_4CPh]_2·[(C_5H_4CH_3)(C_5H_5)HoN_4CPh]_2的合成和晶体结构[J]. 结构化学, 1998, 0(6)
作者姓名:黄小荥  周锡庚  张立新  冯小江  蔡瑞芳  黄祖恩
作者单位:福建结构化学国家重点实验室!福州,350002,复旦大学化学系!上海,200433,复旦大学化学系!上海,200433,复旦大学化学系!上海,200433,复旦大学化学系!上海,200433,复旦大学化学系!上海,200433
基金项目:国家自然科学基金,&&配位化学国家重点实验室资助
摘    要:(C5H4CH3)3Ho和(C5H4CH3)2Ho(C5H5)与5-苯基四唑(HN4CPh)在THF中反应,得到复合产物[(C5H4CH3)2HoN4CPh]2·[(C5H4CH3)(C5H5)HoN4CPh]2,该晶体属三斜晶系,P1空间群,晶胞参数为a=9.386(3),b=13.071(3),c=16.571(2)A,a=86.90(1),β=74.61(2),γ=77.30(2)°,V=1912.2(8)A3,Z=1,Dc=1.602g/cm3,Mr=922.61,μ=41.92cm-1,F(000)=896,最终偏离因子R=0.041,Rw=0.056.晶体数据显示,在同一个晶胞里有两个组成不同的分子,每一个分子都是具有对称中心的四唑基桥二聚体结构,其桥环单元-HoN3HoN3-是平面型的。每个钬原子分别被两个茂基和3个四唑基氮原子配位,形成1个边桥变形四面体构型。

关 键 词:稀土金属有机化合物  钬配合物  晶体结构

Synthesis and Structure of [(C_5H_4CH_3)_2 HoN_4CPh]_2· [(C_5H_4CH_3) (C_5H_5)HoN_4CPh]_2
HUANG Xiao-Ying. Synthesis and Structure of [(C_5H_4CH_3)_2 HoN_4CPh]_2· [(C_5H_4CH_3) (C_5H_5)HoN_4CPh]_2[J]. Chinese Journal of Structural Chemistry, 1998, 0(6)
Authors:HUANG Xiao-Ying
Abstract:Reaction of (C5H4CH3)3 Ho and (C5H4CH3)2(C5H5)Ho with HN4CPh in THF affords complex [(C5H4CH3)2 HoN4CPh]2·[(C5H4CH3) (C5H5)HoN4CPh]2, which crystallized in the spacegroup P1 with unit cell dimensions a= 9.386(3), b= 13.071 (3), c= 16. 571 (2) A, a=86. 90(1), β=74. 61(2), γ=77. 30(2)°, V=1912. 2(8) A3 and Z=1, for Dc=1. 602 g/cm3, Mr=922. 61, μ=41. 92 cm-1, F(000) =896. Least-Squares refinement of the model based on 5694reflections converged to a final R=0. 04l, Rw=0. 056. Crystallographic data show that there aretwo disconnected structural units t(C5H4CH3 )2Ho (μ-η1:η2-N4CPh)]2 and [(C5H4CH,3) (C5H5)Ho(μ-η1:η2-N4CPh)]2,, crystallizing in the unit cell, each of which is a tetrazolate-bridged dimerand has a crystallographic symmetry Ci on their centers. The bridging cyclic unit -HoN3HoN3is coplanar.
Keywords:rare earth organo metallic compounds  crystal structure  holmium coordination compounds
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