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（η-环辛二烯）（3,3'-二均三甲苯基-1,1'-亚甲基二咪唑啉-2,2'-二亚基）镍（0）四氢呋喃单溶剂化物的晶体结构

Crystal structure of (η-cyclo-octa-diene)(3,3'-dimesityl-1,1'-methyl-enediimidazoline-2,2'-diyl-idene)nickel(0) tetra-hydro-furan monosolvate.

作者信息

Yamamoto Carlos D, Zhang Zijie, Stieber Sabine Chantal E

机构信息

Department of Chemistry & Biochemistry, California State Polytechnic University, Pomona, 3801 W. Temple Ave., Pomona, CA 91768, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Sep 7;74(Pt 10):1396-1399. doi: 10.1107/S2056989018012252. eCollection 2018 Oct 1.

DOI:10.1107/S2056989018012252
PMID:30319787
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6176447/
Abstract

The crystal structure of the title compound, [Ni(CHN)(CH)]·CHO or (NHCMe)Ni(COD), which contains a bidentate N-heterocyclic carbene (NHC) ligand with mesityl aryl groups is reported. The complex at 100 K has monoclinic (2/) symmetry and a distorted tetra-hedral geometry around the nickel center, with the cyclo-octa-diene ligand coordinated in a κ,η fashion. The bidentate NHC ligand is not planar, with a C(carbene)-Ni-C(carbene) angle of 91.51 (12)°, resulting in the mesityl groups being on the same side of the cyclo-octa-diene (COD) ligand. One mol-ecule of tetra-hydro-furan (THF) is co-crystallized with the nickel complex and has positional disorder.

摘要

报道了标题化合物[Ni(CHN)(CH)]·CHO或(NHCMe)Ni(COD)的晶体结构，该化合物包含一个带有均三甲苯基芳基的双齿N-杂环卡宾（NHC）配体。该配合物在100 K时具有单斜（2/）对称性，镍中心周围具有扭曲的四面体几何构型，环辛二烯配体以κ,η方式配位。双齿NHC配体不是平面的，C（卡宾）-Ni-C（卡宾）角为91.51（12）°，导致均三甲苯基基团位于环辛二烯（COD）配体的同一侧。一分子四氢呋喃（THF）与镍配合物共结晶且存在位置无序。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/e6b9f8447f5b/e-74-01396-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/06a28efbceb1/e-74-01396-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/ddedfd27cc66/e-74-01396-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/e6b9f8447f5b/e-74-01396-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/06a28efbceb1/e-74-01396-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/ddedfd27cc66/e-74-01396-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b503/6176447/e6b9f8447f5b/e-74-01396-fig3.jpg

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