Stereochemistry of Cobalt Porphyrins. II. The Characterization and Structure of meso-Tetraphenylporphinatobis(imidazole)cobalt(III) Acetate Monohydrate Monochloroformate,[Co(Im)2(TPP)][OAc]·H2O·CHCl3

Joseph W. Lauher; James A Ibers

doi:10.1021/ja00821a017

Stereochemistry of Cobalt Porphyrins. II. The Characterization and Structure of meso-Tetraphenylporphinatobis(imidazole)cobalt(III) Acetate Monohydrate Monochloroformate,[Co(Im)₂(TPP)][OAc]·H₂O·CHCl₃

Joseph W. Lauher, James A Ibers^*

^*Corresponding author for this work

Chemistry

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

65 Scopus citations

Abstract

The six-coordinate Co(III) porphyrin, [Co(Im)₂(TPP)][OAc]·H₂O·CHCl₃, was prepared accidentally and has been characterized by a complete structural analysis. The material crystallizes with two formula units in space group C_i ¹-P1 of the triclinic system in a cell of dimensions a = 13.055 (8) Å, b = 17.239 (7) Å, c = 11.807 (8) Å, α = 105.94 (3)°, β = 91.97 (3)°, and γ = 107.49 (3)°. The asymmetric unit consists of two half cations, so that there are two independent cations in the cell, each with a crystallographically imposed center of symmetry. The Co-N (of imidazole) axial bond length averages 1.93 (2) Å. Comparison of the present structure with that of the Co(NH₃)₆ ³⁺ion enables us to estimate a minimum approach distance of a histidine to the plane of the porphyrin ring. This minimal approach distance is an essential factor in estimating the movement of the proximal histidine group toward the mean plane of the porphyrin ring upon oxygenation of cobalt-substituted hemoglobin.

Original language	English (US)
Pages (from-to)	4447-4452
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	96
Issue number	14
DOIs	https://doi.org/10.1021/ja00821a017
State	Published - Jul 1 1974

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

Access to Document

10.1021/ja00821a017

Cite this

@article{3eae4c70a5a9461f933df107fadaa009,

title = "Stereochemistry of Cobalt Porphyrins. II. The Characterization and Structure of meso-Tetraphenylporphinatobis(imidazole)cobalt(III) Acetate Monohydrate Monochloroformate,[Co(Im)2(TPP)][OAc]·H2O·CHCl3 ",

abstract = "The six-coordinate Co(III) porphyrin, [Co(Im)2(TPP)][OAc]·H2O·CHCl3, was prepared accidentally and has been characterized by a complete structural analysis. The material crystallizes with two formula units in space group Ci 1-P1 of the triclinic system in a cell of dimensions a = 13.055 (8) {\AA}, b = 17.239 (7) {\AA}, c = 11.807 (8) {\AA}, α = 105.94 (3)°, β = 91.97 (3)°, and γ = 107.49 (3)°. The asymmetric unit consists of two half cations, so that there are two independent cations in the cell, each with a crystallographically imposed center of symmetry. The Co-N (of imidazole) axial bond length averages 1.93 (2) {\AA}. Comparison of the present structure with that of the Co(NH3)6 3+ion enables us to estimate a minimum approach distance of a histidine to the plane of the porphyrin ring. This minimal approach distance is an essential factor in estimating the movement of the proximal histidine group toward the mean plane of the porphyrin ring upon oxygenation of cobalt-substituted hemoglobin.",

author = "Lauher, {Joseph W.} and Ibers, {James A}",

year = "1974",

month = jul,

day = "1",

doi = "10.1021/ja00821a017",

language = "English (US)",

volume = "96",

pages = "4447--4452",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "14",

}

Stereochemistry of Cobalt Porphyrins. II. The Characterization and Structure of meso-Tetraphenylporphinatobis(imidazole)cobalt(III) Acetate Monohydrate Monochloroformate,[Co(Im)₂(TPP)][OAc]·H₂O·CHCl₃ . / Lauher, Joseph W.; Ibers, James A.
In: Journal of the American Chemical Society, Vol. 96, No. 14, 01.07.1974, p. 4447-4452.

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

TY - JOUR

T1 - Stereochemistry of Cobalt Porphyrins. II. The Characterization and Structure of meso-Tetraphenylporphinatobis(imidazole)cobalt(III) Acetate Monohydrate Monochloroformate,[Co(Im)2(TPP)][OAc]·H2O·CHCl3

AU - Lauher, Joseph W.

AU - Ibers, James A

PY - 1974/7/1

Y1 - 1974/7/1

N2 - The six-coordinate Co(III) porphyrin, [Co(Im)2(TPP)][OAc]·H2O·CHCl3, was prepared accidentally and has been characterized by a complete structural analysis. The material crystallizes with two formula units in space group Ci 1-P1 of the triclinic system in a cell of dimensions a = 13.055 (8) Å, b = 17.239 (7) Å, c = 11.807 (8) Å, α = 105.94 (3)°, β = 91.97 (3)°, and γ = 107.49 (3)°. The asymmetric unit consists of two half cations, so that there are two independent cations in the cell, each with a crystallographically imposed center of symmetry. The Co-N (of imidazole) axial bond length averages 1.93 (2) Å. Comparison of the present structure with that of the Co(NH3)6 3+ion enables us to estimate a minimum approach distance of a histidine to the plane of the porphyrin ring. This minimal approach distance is an essential factor in estimating the movement of the proximal histidine group toward the mean plane of the porphyrin ring upon oxygenation of cobalt-substituted hemoglobin.

AB - The six-coordinate Co(III) porphyrin, [Co(Im)2(TPP)][OAc]·H2O·CHCl3, was prepared accidentally and has been characterized by a complete structural analysis. The material crystallizes with two formula units in space group Ci 1-P1 of the triclinic system in a cell of dimensions a = 13.055 (8) Å, b = 17.239 (7) Å, c = 11.807 (8) Å, α = 105.94 (3)°, β = 91.97 (3)°, and γ = 107.49 (3)°. The asymmetric unit consists of two half cations, so that there are two independent cations in the cell, each with a crystallographically imposed center of symmetry. The Co-N (of imidazole) axial bond length averages 1.93 (2) Å. Comparison of the present structure with that of the Co(NH3)6 3+ion enables us to estimate a minimum approach distance of a histidine to the plane of the porphyrin ring. This minimal approach distance is an essential factor in estimating the movement of the proximal histidine group toward the mean plane of the porphyrin ring upon oxygenation of cobalt-substituted hemoglobin.

UR - http://www.scopus.com/inward/record.url?scp=0016389169&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0016389169&partnerID=8YFLogxK

U2 - 10.1021/ja00821a017

DO - 10.1021/ja00821a017

M3 - Article

C2 - 4854395

AN - SCOPUS:0016389169

SN - 0002-7863

VL - 96

SP - 4447

EP - 4452

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 14

ER -

Stereochemistry of Cobalt Porphyrins. II. The Characterization and Structure of meso-Tetraphenylporphinatobis(imidazole)cobalt(III) Acetate Monohydrate Monochloroformate,[Co(Im)₂(TPP)][OAc]·H₂O·CHCl₃

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this