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Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data

The structure of the title compound, [Cu(ClO(4))(2)(C(16)H(38)N(6))] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the Cu(II) complex as the Cu(II) cation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocy...

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Autores principales: Kim, Dae-Woong, Shin, Jong Won, Moon, Dohyun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384585/
https://www.ncbi.nlm.nih.gov/pubmed/25878801
http://dx.doi.org/10.1107/S2056989014028047
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author Kim, Dae-Woong
Shin, Jong Won
Moon, Dohyun
author_facet Kim, Dae-Woong
Shin, Jong Won
Moon, Dohyun
author_sort Kim, Dae-Woong
collection PubMed
description The structure of the title compound, [Cu(ClO(4))(2)(C(16)H(38)N(6))] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the Cu(II) complex as the Cu(II) cation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually trans O atoms of the two perchlorate ions in a tetra­gonally distorted octa­hedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intra­molecular N—H⋯O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the mol­ecular structure. In the crystal structure, an extensive series of inter­molecular N—H⋯O and C—H⋯O hydrogen bonds generate a three-dimensional network.
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spelling pubmed-43845852015-04-15 Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data Kim, Dae-Woong Shin, Jong Won Moon, Dohyun Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, [Cu(ClO(4))(2)(C(16)H(38)N(6))] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the Cu(II) complex as the Cu(II) cation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually trans O atoms of the two perchlorate ions in a tetra­gonally distorted octa­hedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intra­molecular N—H⋯O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the mol­ecular structure. In the crystal structure, an extensive series of inter­molecular N—H⋯O and C—H⋯O hydrogen bonds generate a three-dimensional network. International Union of Crystallography 2015-01-10 /pmc/articles/PMC4384585/ /pubmed/25878801 http://dx.doi.org/10.1107/S2056989014028047 Text en © Kim et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Kim, Dae-Woong
Shin, Jong Won
Moon, Dohyun
Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data
title Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data
title_full Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data
title_fullStr Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data
title_full_unstemmed Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data
title_short Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(perchlorato-κO)copper(II) from synchrotron data
title_sort crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) n (3),n (6),n (10),n (13))bis­(perchlorato-κo)copper(ii) from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384585/
https://www.ncbi.nlm.nih.gov/pubmed/25878801
http://dx.doi.org/10.1107/S2056989014028047
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