（η⁵-环戊二烯基）（N，N-二甲基二硫代氨基甲酸酯-κ²S，S'）[η⁴-四（三氟甲基）环丁二烯基]钼（IV）

(eta5-cyclopentadienyl)(N,N-dimethyldithiocarbamato-kappa2S,S')[eta4-tetrakis(trifluoromethyl)cyclobutadienyl]molybdenum(IV).

作者信息

Davidson Jack L, Jarvie Alice, Muir Kenneth W

机构信息

School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS, Scotland.

出版信息

Acta Crystallogr C. 2005 Apr;61(Pt 4):m209-10. doi: 10.1107/S0108270105006086. Epub 2005 Mar 25.

DOI:10.1107/S0108270105006086

PMID:15805629

Abstract

The title complex, [Mo(C8F12)(C5H5)(C3H6NS2)], contains both a eta4-C4(CF3)4 cyclobutadienyl ligand with approximate C4v local symmetry and a eta5-C5H5 cyclopentadienyl ring. The centroids of the rings and the S atoms of a chelating dithiocarbamate ligand define the pseudo-tetrahedral coordination of the Mo atom. The Mo-C(cyclobutadienyl) bond lengths [2.189 (2)-2.211 (2) A] are unusually short, probably reflecting strong electron withdrawal by the trifluoromethyl groups. The molecules straddle crystallographic mirror planes.

摘要

标题配合物[Mo(C₈F₁₂)(C₅H₅)(C₃H₆NS₂)]包含一个具有近似C₄v局部对称性的η⁴-C₄(CF₃)₄环丁二烯基配体和一个η⁵-C₅H₅环戊二烯基环。环的质心以及螯合二硫代氨基甲酸盐配体的S原子确定了Mo原子的伪四面体配位。Mo-C(环丁二烯基)键长[2.189(2)-2.211(2) Å]异常短，可能反映了三氟甲基的强吸电子作用。分子跨越晶体学镜面。