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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4384585 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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