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反式-羰基二氯双[二环己基(4-异丙基苯基)膦]铑(I)丙酮单溶剂合物

trans-Carbonyl-chloridobis[dicyclo-hex-yl(4-isopropyl-phen-yl)phosphane]rhodium(I) acetone monosolvate.

作者信息

Makhoba Sizwe, Muller Alfred, Meijboom Reinout, Omondi Bernard

机构信息

Research Centre for Synthesis and Catalysis, Department of Chemistry, University of Johannesburg, PO Box 524, Auckland Park, Johannesburg 2006, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):m1286-7. doi: 10.1107/S1600536811033447. Epub 2011 Aug 27.

DOI:10.1107/S1600536811033447
PMID:22058880
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200912/
Abstract

The title rhodium Vaska-type complex, trans-[RhCl{P(C(6)H(11))(2)(C(6)H(4)-4-C(3)H(7))(2)}(2)(CO)], crystallizes with an accompanying acetone solvent mol-ecule. The metal atom shows a distorted square-planar coordination environment with selected important geometrical parameters of Rh-P = 2.3237 (6) and 2.3253 (6) Å, Rh-Cl = 2.3724 (6) Å, Rh-C = 1.802 (2) Å, P-Rh-P = 173.42 (2)° and Cl-Rh-C = 179.13 (7)°. Effective cone angles for the two P atoms are 165 and 161°, respectively. Both isopropyl groups and the acetone mol-ecule are disordered with occupancy values of 0.523 (5):0.477 (5), 0.554 (8):0.446 (8) and 0.735 (4):0.265 (4), respectively. The crystal packing is stabilized by weak C-H⋯O and C-H⋯Cl contacts.

摘要

标题铑瓦萨型配合物反式-[RhCl{P(C₆H₁₁)₂(C₆H₄ - 4 - C₃H₇)₂}₂(CO)]与一个伴随的丙酮溶剂分子一起结晶。金属原子呈现出扭曲的平面正方形配位环境,铑 - 磷的选定重要几何参数为2.3237 (6) 和2.3253 (6) Å,铑 - 氯为2.3724 (6) Å,铑 - 碳为1.802 (2) Å,磷 - 铑 - 磷为173.42 (2)°,氯 - 铑 - 碳为179.13 (7)°。两个磷原子的有效锥角分别为165°和161°。两个异丙基和丙酮分子均无序,占有率值分别为0.523 (5):0.477 (5)、0.554 (8):0.446 (8) 和0.735 (4):0.265 (4)。晶体堆积通过弱的C - H⋯O和C - H⋯Cl接触得以稳定。

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