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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >A Tribenzylidenemethane-Tantalum Compound: Some Experiences with 'Inversion Twinning'
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A Tribenzylidenemethane-Tantalum Compound: Some Experiences with 'Inversion Twinning'

机译:三亚苄基甲烷-钽化合物:“反型孪生”的一些经验

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摘要

The six-electron-donating ligand tribenzylidenemethan-diide has been used to form a tantalum (group 5) mimic, (?75-cyclopentadienyl)(?74-tribenzylidenemethandiide)di-methyltantalum, of a group 4 bent metallocene. The material crystallizes with two molecules in the asymmetric unit with quite different packing arrangements, although the overall structures of the two are similar. The Cp and methyl ligands are disordered about a threefold axis. Crystal data: [Ta{(C7H6)3C}(C5H5)(CH3);J, trigonal P3lc, with a = 12.681(3), c = 16.124(5) A, V = 2245.5 (7) A3, T = 293 K, Z = 4, Mr = 558.47, Dx = 1.65 g cm"3, F(000) = 1104, Mo Ka, A = 0.71073 A, n = 4.91 mm-', R = 0.020 for 1319 reflections with Fo > 4
机译:六电子给体配体三亚苄基二甲叉二苯已被用于形成4族弯曲金属茂的钽(第5族)模拟物,(β-75-环戊二烯基)(β74-三亚苄基亚甲基二甲叉基)二甲基钽。尽管两个分子的总体结构相似,但它们在不对称单元中以两个分子结晶,具有非常不同的堆积排列。 Cp和甲基配体绕三轴无序。晶体数据:[Ta {(C7H6)3C}(C5H5)(CH3); J,三角形P3lc,a = 12.681(3),c = 16.124(5)A,V = 2245.5(7)A3,T = 293 K,Z = 4,Mr = 558.47,Dx = 1.65 g cm•3,F(000)= 1104,Mo Ka,A = 0.71073 A,n = 4.91 mm-',R = 0.020,对于Fo> 4的1319次反射

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