[2-Butyl-4-(4-tert-butylbenzyl)-1,2,4-triazol-3-ylidene]chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)

被引:5
作者
Nichol, Gary S. [1 ,2 ]
Walton, David P. [2 ]
Anna, Laura J. [2 ]
Rajaseelan, Edward
机构
[1] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85716 USA
[2] Millersville Univ Pennsylvania, Dept Chem, Millersville, PA 17551 USA
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2012年 / 68卷
基金
美国国家科学基金会;
关键词
N-HETEROCYCLIC CARBENES; TRANSFER HYDROGENATION; COMPLEXES; TETRAFLUORIDOBORATE; IRIDIUM(I); CATALYSTS; LIGANDS;
D O I
10.1107/S1600536812000992
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, [IrCl(C8H12)(C17H25N3)], the Ir-I ion has a distorted square-planar coordination geometry. The N-heterocyclic carbene ligand has an extended S-shaped conformation. The butyl group was refined using a two-part 1:1 disorder model. In the crystal, three unique weak C-H center dot center dot center dot Cl contacts are present. Two of these form a motif described as R-2(1) (6) in graph-set notation, while a third forms an R-2(2) (8) motif about a crystallographic inversion center. The result is a chain structure which extends parallel to the crystallographic a axis.
引用
收藏
页码:M158 / U747
页数:14
相关论文
共 18 条
[11]  
Macrae CF, 2006, J APPL CRYSTALLOGR, V39, P453, DOI [10.1107/S002188980600731X, 10.1107/S0021 88980600731X]
[12]   [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(1-isopropyl-3-methylimidazolin-2-ylidene)rhodium(I) tetrafluoridoborate [J].
Nichol, Gary S. ;
Rajaseelan, Jonathan ;
Walton, David P. ;
Rajaseelan, Edward .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :M1860-U1411
[13]   [(1,2,5,6-η)-1,5-Cyclooctadiene]-(1-isopropyl-3-methylimidazolin-2-yl-idene)(triphenylphosphine)iridium(I) tetrafluoridoborate dichloromethane solvate [J].
Nichol, Gary S. ;
Stasiw, Daniel ;
Anna, Laura J. ;
Rajaseelan, Edward .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :M1114-U684
[14]   N-Heterocyclic Carbene Complexes of Rhodium and Iridium: Steric Effects on Molecular Conformation [J].
Nichol, Gary S. ;
Rajaseelan, Jonathan ;
Anna, Laura J. ;
Rajaseelan, Edward .
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2009, (28) :4320-4328
[15]  
Sheldrick G.M., 1996, SADABS
[16]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[17]   Facile synthesis of silver(I)-carbene complexes. Useful carbene transfer agents [J].
Wang, HMJ ;
Lin, IJB .
ORGANOMETALLICS, 1998, 17 (05) :972-975
[18]   publCIF: software for editing, validating and formatting crystallographic information files [J].
Westrip, Simon P. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2010, 43 :920-925