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(3,6 - 二甲基 - 3,6 - 二氮杂辛烷 - 1,8 - 二硫醇根 - S1,N3,N6,S8)氧代锝(V)高锝酸盐

(3,6-Dimethyl-3,6-diazaoctan-1,8-dithiolato-S1,N3,N6,S8)oxotechnetium(V) pertechnetate.

作者信息

Faggiani R, Lock C J, Epps L A, Kramer A V, Brune D

机构信息

Department of Chemistry, McMaster University, Hamilton, ON, Canada.

出版信息

Acta Crystallogr C. 1988 May 15;44 ( Pt 5):777-9. doi: 10.1107/s0108270188000253.

Abstract

[TcO(C8H18N2S2)]TcO4, Mr = 484.2, monoclinic, P2(1)/c, a = 7.447 (2), b = 16.952 (8), c = 12.236 (3) A, beta = 99.63 (2) degrees, V = 1523 (1) A3, Z = 4, D chi = 2.112, Dm = 2.09 (1) Mg m-3, lambda(Mo K alpha) = 0.71069 A, mu = 2.06 mm-1, F(000) = 952, T = 295 (1) K, final R = 0.071 for 2496 significant reflections and 173 parameters. The Tc atom is bound to the oxo group and the N and S atoms of the complex ligand in a rough square pyramid. The Tc atom lies 0.770 (3) A out of the S,N,N',S' plane. This plane is significantly distorted such that N and N' lie nearly 0.25 A out of the plane on opposite sides. The Tc-S bonds [2.238 (3), 2.266 (3) A] are short but other bond lengths and angles are normal.

摘要

高锝酸[TcO(C₈H₁₈N₂S₂)],Mr = 484.2,单斜晶系,P2(1)/c,a = 7.447 (2),b = 16.952 (8),c = 12.236 (3) Å,β = 99.63 (2)°,V = 1523 (1) ų,Z = 4,Dχ = 2.112,Dm = 2.09 (1) Mg m⁻³,λ(Mo Kα) = 0.71069 Å,μ = 2.06 mm⁻¹,F(000) = 952,T = 295 (1) K,对2496个强反射和173个参数最终R = 0.071。Tc原子以近似四方锥的形式与氧代基团以及络合配体的N和S原子相连。Tc原子位于S、N、N'、S'平面外0.770 (3) Å处。该平面明显扭曲,使得N和N'在平面两侧相距平面约0.25 Å。Tc - S键长[2.238 (3),2.266 (3) Å]较短,但其他键长和键角正常。

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