首页> 外文期刊>X-ray Structure Analysis Online >Crystal Structure of Nickel(II) 5,10,15,20-Tetraphenyl[1,2-c](4′,5′-dimethyl)imidazolylpyrrolo-21-ethylcarboxylporphyrin
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Crystal Structure of Nickel(II) 5,10,15,20-Tetraphenyl[1,2-c](4′,5′-dimethyl)imidazolylpyrrolo-21-ethylcarboxylporphyrin

机译:5,10,15,20-四苯基[1,2-c](4',5'-二甲基)咪唑基吡咯并-21-乙基羧基卟啉镍(II)的晶体结构

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Nickel(II) 5,10,15,20-tetraphenyl[1,2-c](4′,5′-dimethyl)imidazolylpyrrolo-21-ethylcarboxyl-porphyrin, C54H39N7Ni·CHCl3, was isolated. The crystal structure was determined by single-crystal X-ray diffraction at 150 K, and belonged to the triclinic space group P1 with a = 11.746(6)Å, b = 14.006(8)Å, c = 14.915(8)Å, α = 104.878(8)°, β = 98.664(7)°, γ = 100.314(7)°, V = 2283(2)Å3, Dx = 1.449 g/cm3, and Z = 2. R1 [I 2σ(I)] and wR2 were 0.0870 and 0.17032, respectively, for 9067 independent reflections. It contained high-strain molecules having horse-saddle shapes.
机译:5,10,15,20-四苯基[1,2-c](4',5'-二甲基)咪唑基吡咯并-21-乙基羧基卟啉镍(II)C 54 H 分离出39 N 7 Ni·CHCl 3 。晶体结构在150 K下通过单晶X射线衍射确定,属于三斜晶空间群 P 1,其中 a = 11.746(6)Å,< i> b = 14.006(8)Å, c = 14.915(8)Å,α = 104.878(8)°,β = 98.664(7)°,γ = 100.314(7)°, V = 2283(2)Å 3 , D x = 1.449 g / cm 3 , Z =2。 R 1 [<对于9067次独立反射,i> I ( I )]和 wR 2分别为0.0870和0.17032。它包含具有马鞍形的高应变分子。

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