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首页> 外文期刊>IUCrData >Bis(1-phenyl-imidazole)[5,10,15,20-tetrakis(2-pival-amidophenyl)porphinato]iron(III) tri-fluoro-methane-sulfonate chloro-benzene disolvate
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Bis(1-phenyl-imidazole)[5,10,15,20-tetrakis(2-pival-amidophenyl)porphinato]iron(III) tri-fluoro-methane-sulfonate chloro-benzene disolvate

机译:双(1-苯基 - 咪唑)[5,10,15,20-四(2-竞争对手酰氨苯基)卟啉]铁(III)三氟 - 甲烷 - 磺酸氯苯脱溶液

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摘要

The title complex, [Fe(C 64 H 64 N 8 O 4 )(C 9 H 8 N 2 ) 2 ](CF 3 O 3 S)·2C 6 H 5 Cl, has an unusual relative orientation of the two planar axial ligands [dihedral angle between the two imidazole planes = 46.55?(9)°]. The average equatorial Fe—N bond length is 1.974?(3)??; the axial distances are 1.9628?(19) and 1.9932?(19)??. The porphyrin core displays modest ruffling. Disorder is modeled for three of the tert -butyl groups of the pickets. In the crystal, a modest π – π inter-action exists between adjacent phenyl rings related by an inversion center, and hydrogen bonds connect the tri-fluoro-methane-sulfonate oxygen atoms to the amide groups of the picket substituents.
机译:标题复合物,[Fe(C 64 H 64 N 8 O 4)(C 9 H 8 N 2)2](CF 3 O 3 S)·2C 6 H 5 CL,具有两个平面轴向的异常相对取向配体[两种咪唑平面之间的二偏角角= 46.55?(9)°]。平均赤道Fe-N键长度为1.974?(3)??;轴向距离为1.9628?(19)和1.9932?(19)??。卟啉核心显示器适度的褶皱。对拾音液的三个叔丁基的紊乱进行模拟。在晶体中,在倒置中心相关的相邻苯基环之间存在适度的π - π相互作用,氢键将三氟 - 甲烷 - 磺酸盐氧原子连接到拾液取代基的酰胺基。

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