Structure of (Tetraphenylporphinato)(carbonyl)(pyridine)ruthenium(II)-1.5-Toluene

Robert G. Little; James A. Ibers

doi:10.1021/ja00807a014

Structure of (Tetraphenylporphinato)(carbonyl)(pyridine)ruthenium(II)-1.5-Toluene

Robert G. Little, James A. Ibers^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

85 Scopus citations

Abstract

The crystal structure of Ru(CO)(py)(TPP) has been determined from three-dimensional X-ray diffraction data. The compound crystallizes in the triclinic space group C_i¹-P1 (a = 11.665 (1), b = 19.667 (2), c = 10.758 (2)Å; α = 92.22(1), β = 93.32(1), γ = 96.50(1)°; Z = 2), with three toluene molecules of crystallization. Leastsquares refinement has led to a final value of the conventional R factor (on F) of 0.065 for the 4617 reflections having F_o² > 3σ(F_o²). The Ru(II) atom is 0.079 Å out of the porphyrin plane toward the carbonyl carbon atom. The Ru-C-O angle is 178.4 (7)° and the Ru-CO distance is 1.838 (9) Å. The Ru-N(pyridine) distance is 2.193 (4) Å, compared with the average Ru-N(porphyrin) distance of 2.052 (9) Å. The long axial Ru-N(py) bond length is attributed to a trans effect of the carbonyl group. The bond lengths and angles within the porphyrin compare well with those observed previously in Ru(CO)(EtOH)(TPP).

Original language	English (US)
Pages (from-to)	8583-8590
Number of pages	8
Journal	Journal of the American Chemical Society
Volume	95
Issue number	26
DOIs	https://doi.org/10.1021/ja00807a014
State	Published - Dec 1 1973

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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@article{d5a97e1c70a248c8af0d5269238e72ad,

title = "Structure of (Tetraphenylporphinato)(carbonyl)(pyridine)ruthenium(II)-1.5-Toluene",

abstract = "The crystal structure of Ru(CO)(py)(TPP) has been determined from three-dimensional X-ray diffraction data. The compound crystallizes in the triclinic space group Ci1-P1 (a = 11.665 (1), b = 19.667 (2), c = 10.758 (2){\AA}; α = 92.22(1), β = 93.32(1), γ = 96.50(1)°; Z = 2), with three toluene molecules of crystallization. Leastsquares refinement has led to a final value of the conventional R factor (on F) of 0.065 for the 4617 reflections having Fo2 > 3σ(Fo2). The Ru(II) atom is 0.079 {\AA} out of the porphyrin plane toward the carbonyl carbon atom. The Ru-C-O angle is 178.4 (7)° and the Ru-CO distance is 1.838 (9) {\AA}. The Ru-N(pyridine) distance is 2.193 (4) {\AA}, compared with the average Ru-N(porphyrin) distance of 2.052 (9) {\AA}. The long axial Ru-N(py) bond length is attributed to a trans effect of the carbonyl group. The bond lengths and angles within the porphyrin compare well with those observed previously in Ru(CO)(EtOH)(TPP).",

author = "Little, {Robert G.} and Ibers, {James A.}",

year = "1973",

month = dec,

day = "1",

doi = "10.1021/ja00807a014",

language = "English (US)",

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journal = "Journal of the American Chemical Society",

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AU - Little, Robert G.

AU - Ibers, James A.

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Y1 - 1973/12/1

N2 - The crystal structure of Ru(CO)(py)(TPP) has been determined from three-dimensional X-ray diffraction data. The compound crystallizes in the triclinic space group Ci1-P1 (a = 11.665 (1), b = 19.667 (2), c = 10.758 (2)Å; α = 92.22(1), β = 93.32(1), γ = 96.50(1)°; Z = 2), with three toluene molecules of crystallization. Leastsquares refinement has led to a final value of the conventional R factor (on F) of 0.065 for the 4617 reflections having Fo2 > 3σ(Fo2). The Ru(II) atom is 0.079 Å out of the porphyrin plane toward the carbonyl carbon atom. The Ru-C-O angle is 178.4 (7)° and the Ru-CO distance is 1.838 (9) Å. The Ru-N(pyridine) distance is 2.193 (4) Å, compared with the average Ru-N(porphyrin) distance of 2.052 (9) Å. The long axial Ru-N(py) bond length is attributed to a trans effect of the carbonyl group. The bond lengths and angles within the porphyrin compare well with those observed previously in Ru(CO)(EtOH)(TPP).

AB - The crystal structure of Ru(CO)(py)(TPP) has been determined from three-dimensional X-ray diffraction data. The compound crystallizes in the triclinic space group Ci1-P1 (a = 11.665 (1), b = 19.667 (2), c = 10.758 (2)Å; α = 92.22(1), β = 93.32(1), γ = 96.50(1)°; Z = 2), with three toluene molecules of crystallization. Leastsquares refinement has led to a final value of the conventional R factor (on F) of 0.065 for the 4617 reflections having Fo2 > 3σ(Fo2). The Ru(II) atom is 0.079 Å out of the porphyrin plane toward the carbonyl carbon atom. The Ru-C-O angle is 178.4 (7)° and the Ru-CO distance is 1.838 (9) Å. The Ru-N(pyridine) distance is 2.193 (4) Å, compared with the average Ru-N(porphyrin) distance of 2.052 (9) Å. The long axial Ru-N(py) bond length is attributed to a trans effect of the carbonyl group. The bond lengths and angles within the porphyrin compare well with those observed previously in Ru(CO)(EtOH)(TPP).

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Structure of (Tetraphenylporphinato)(carbonyl)(pyridine)ruthenium(II)-1.5-Toluene

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