Crystal and molecular structures of the copper(II) and copper(III) dithiooxalate complexes (18-crown-6)2K2Cu(S2C2O 2)2 and ([(C6H5)3P]2N)Cu(S2C 2O2)2

Mercouri G Kanatzidis, N. C. Baenziger, D. Coucouvanis

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Abstract

The crystal and molecular structures of (18-crown-6)2K2Cu(Dto)2·DMF (I) and [(Ph3P)2N][Cu(Dto)2] (II) are reported. I crystallizes in the monoclinic space group P21/c with two molecules per unit cell. The cell dimensions are a = 11.488 (2) Å, b = 8.543 (2) Å, c = 23.527 (7) Å, and β = 93.71 (2)°. II crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The cell dimensions are a = 13.528 (2) Å, b = 18.456 (2) Å, c = 15.354 (2) Å, and β = 95.82 (1)°. Intensity data for both I and II were collected with a four-circle computer-controlled diffractometer with the use of the θ-2θ step scan technique. The non-hydrogen atoms in I and II were refined with anisotropic temperature factors. Refinement by full-matrix least-squares techniques of 352 parameters on 2783 data for I and of 244 parameters on 2547 data for II gave final R values of 0.06 and 0.05 for I and II, respectively. The hydrogen atoms in I and II were included in the structure factor calculations but were not refined. In I the two independent CuII-S bond lengths in the planar [Cu(Dto)2]2- anion are 2.254 (2) and 2.268 (2) Å, and the C-C bond length of the Dto ligand is 1.547 (7) Å. The (18-crown-6)K+ cations are bound to the α-diketone portion of the coordinated Dto ligand and weakly interact with the oxygen atom of a DMF molecule of crystallization. The K-O distance within the crown ether is 2.91 (8) Å, and the K-O(Dto) distance is 2.78 (2) Å. In II the CuIII-S bond lengths within the [Cu(Dto)2]- anion are 2.164 (1) and 2.178 (1) Å. The C-C bond length of the Dto ligand in II, which readily undergoes photolytic cleavage, is 1.524 (7) Å.

Original languageEnglish
Pages (from-to)2680-2683
Number of pages4
JournalInorganic Chemistry
Volume24
Issue number17
Publication statusPublished - 1985

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Bond length
Molecular structure
Copper
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Crystal and molecular structures of the copper(II) and copper(III) dithiooxalate complexes (18-crown-6)2K2Cu(S2C2O 2)2 and ([(C6H5)3P]2N)Cu(S2C 2O2)2. / Kanatzidis, Mercouri G; Baenziger, N. C.; Coucouvanis, D.

In: Inorganic Chemistry, Vol. 24, No. 17, 1985, p. 2680-2683.

Research output: Contribution to journalArticle

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title = "Crystal and molecular structures of the copper(II) and copper(III) dithiooxalate complexes (18-crown-6)2K2Cu(S2C2O 2)2 and ([(C6H5)3P]2N)Cu(S2C 2O2)2",
abstract = "The crystal and molecular structures of (18-crown-6)2K2Cu(Dto)2·DMF (I) and [(Ph3P)2N][Cu(Dto)2] (II) are reported. I crystallizes in the monoclinic space group P21/c with two molecules per unit cell. The cell dimensions are a = 11.488 (2) {\AA}, b = 8.543 (2) {\AA}, c = 23.527 (7) {\AA}, and β = 93.71 (2)°. II crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The cell dimensions are a = 13.528 (2) {\AA}, b = 18.456 (2) {\AA}, c = 15.354 (2) {\AA}, and β = 95.82 (1)°. Intensity data for both I and II were collected with a four-circle computer-controlled diffractometer with the use of the θ-2θ step scan technique. The non-hydrogen atoms in I and II were refined with anisotropic temperature factors. Refinement by full-matrix least-squares techniques of 352 parameters on 2783 data for I and of 244 parameters on 2547 data for II gave final R values of 0.06 and 0.05 for I and II, respectively. The hydrogen atoms in I and II were included in the structure factor calculations but were not refined. In I the two independent CuII-S bond lengths in the planar [Cu(Dto)2]2- anion are 2.254 (2) and 2.268 (2) {\AA}, and the C-C bond length of the Dto ligand is 1.547 (7) {\AA}. The (18-crown-6)K+ cations are bound to the α-diketone portion of the coordinated Dto ligand and weakly interact with the oxygen atom of a DMF molecule of crystallization. The K-O distance within the crown ether is 2.91 (8) {\AA}, and the K-O(Dto) distance is 2.78 (2) {\AA}. In II the CuIII-S bond lengths within the [Cu(Dto)2]- anion are 2.164 (1) and 2.178 (1) {\AA}. The C-C bond length of the Dto ligand in II, which readily undergoes photolytic cleavage, is 1.524 (7) {\AA}.",
author = "Kanatzidis, {Mercouri G} and Baenziger, {N. C.} and D. Coucouvanis",
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T1 - Crystal and molecular structures of the copper(II) and copper(III) dithiooxalate complexes (18-crown-6)2K2Cu(S2C2O 2)2 and ([(C6H5)3P]2N)Cu(S2C 2O2)2

AU - Kanatzidis, Mercouri G

AU - Baenziger, N. C.

AU - Coucouvanis, D.

PY - 1985

Y1 - 1985

N2 - The crystal and molecular structures of (18-crown-6)2K2Cu(Dto)2·DMF (I) and [(Ph3P)2N][Cu(Dto)2] (II) are reported. I crystallizes in the monoclinic space group P21/c with two molecules per unit cell. The cell dimensions are a = 11.488 (2) Å, b = 8.543 (2) Å, c = 23.527 (7) Å, and β = 93.71 (2)°. II crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The cell dimensions are a = 13.528 (2) Å, b = 18.456 (2) Å, c = 15.354 (2) Å, and β = 95.82 (1)°. Intensity data for both I and II were collected with a four-circle computer-controlled diffractometer with the use of the θ-2θ step scan technique. The non-hydrogen atoms in I and II were refined with anisotropic temperature factors. Refinement by full-matrix least-squares techniques of 352 parameters on 2783 data for I and of 244 parameters on 2547 data for II gave final R values of 0.06 and 0.05 for I and II, respectively. The hydrogen atoms in I and II were included in the structure factor calculations but were not refined. In I the two independent CuII-S bond lengths in the planar [Cu(Dto)2]2- anion are 2.254 (2) and 2.268 (2) Å, and the C-C bond length of the Dto ligand is 1.547 (7) Å. The (18-crown-6)K+ cations are bound to the α-diketone portion of the coordinated Dto ligand and weakly interact with the oxygen atom of a DMF molecule of crystallization. The K-O distance within the crown ether is 2.91 (8) Å, and the K-O(Dto) distance is 2.78 (2) Å. In II the CuIII-S bond lengths within the [Cu(Dto)2]- anion are 2.164 (1) and 2.178 (1) Å. The C-C bond length of the Dto ligand in II, which readily undergoes photolytic cleavage, is 1.524 (7) Å.

AB - The crystal and molecular structures of (18-crown-6)2K2Cu(Dto)2·DMF (I) and [(Ph3P)2N][Cu(Dto)2] (II) are reported. I crystallizes in the monoclinic space group P21/c with two molecules per unit cell. The cell dimensions are a = 11.488 (2) Å, b = 8.543 (2) Å, c = 23.527 (7) Å, and β = 93.71 (2)°. II crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The cell dimensions are a = 13.528 (2) Å, b = 18.456 (2) Å, c = 15.354 (2) Å, and β = 95.82 (1)°. Intensity data for both I and II were collected with a four-circle computer-controlled diffractometer with the use of the θ-2θ step scan technique. The non-hydrogen atoms in I and II were refined with anisotropic temperature factors. Refinement by full-matrix least-squares techniques of 352 parameters on 2783 data for I and of 244 parameters on 2547 data for II gave final R values of 0.06 and 0.05 for I and II, respectively. The hydrogen atoms in I and II were included in the structure factor calculations but were not refined. In I the two independent CuII-S bond lengths in the planar [Cu(Dto)2]2- anion are 2.254 (2) and 2.268 (2) Å, and the C-C bond length of the Dto ligand is 1.547 (7) Å. The (18-crown-6)K+ cations are bound to the α-diketone portion of the coordinated Dto ligand and weakly interact with the oxygen atom of a DMF molecule of crystallization. The K-O distance within the crown ether is 2.91 (8) Å, and the K-O(Dto) distance is 2.78 (2) Å. In II the CuIII-S bond lengths within the [Cu(Dto)2]- anion are 2.164 (1) and 2.178 (1) Å. The C-C bond length of the Dto ligand in II, which readily undergoes photolytic cleavage, is 1.524 (7) Å.

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