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Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2) N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2) O:O′}cobalt(II)] pentahydrate]
In the title compound, {[Co(C(10)H(8)O(6))(C(16)H(20)N(4))(H(2)O)(2)]·5H(2)O}(n), octahedrally coordinated Co(II) ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydroquinone-O,O′-diacetate (hqda) anions {systematic name: 2,2′-[(1,4-phenylene)bis(oxy)]di...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051029/ https://www.ncbi.nlm.nih.gov/pubmed/24940193 http://dx.doi.org/10.1107/S1600536814008745 |
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author | Sample, Alexander D. LaDuca, Robert L. |
author_facet | Sample, Alexander D. LaDuca, Robert L. |
author_sort | Sample, Alexander D. |
collection | PubMed |
description | In the title compound, {[Co(C(10)H(8)O(6))(C(16)H(20)N(4))(H(2)O)(2)]·5H(2)O}(n), octahedrally coordinated Co(II) ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydroquinone-O,O′-diacetate (hqda) anions {systematic name: 2,2′-[(1,4-phenylene)bis(oxy)]diacetate}, two trans-pyridine N-donor atoms from two bis(pyridin-4-ylmethyl)piperazine (4-bpmp) ligands, and two trans aqua ligands. The exobidentate hqda and 4-bpmp ligands form [Co(hqda)(4-bpmp)(H(2)O)(2)](n) coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O—H⋯O hydrogen bonding between aqua ligands and ligated hqda O atoms. Disordered water molecules of crystallization occupy incipient channels along [100]. However, these could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]; the crystal data take the presence of these molecules into account. The crystal under investigation was twinned by non-merohedry, the twin fraction of the components being 53.3% and 46.7%. Only data from the major twin component were used in the refinement. |
format | Online Article Text |
id | pubmed-4051029 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40510292014-06-17 Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2) N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2) O:O′}cobalt(II)] pentahydrate] Sample, Alexander D. LaDuca, Robert L. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, {[Co(C(10)H(8)O(6))(C(16)H(20)N(4))(H(2)O)(2)]·5H(2)O}(n), octahedrally coordinated Co(II) ions on crystallographic inversion centres are bound by trans O atoms belonging to two hydroquinone-O,O′-diacetate (hqda) anions {systematic name: 2,2′-[(1,4-phenylene)bis(oxy)]diacetate}, two trans-pyridine N-donor atoms from two bis(pyridin-4-ylmethyl)piperazine (4-bpmp) ligands, and two trans aqua ligands. The exobidentate hqda and 4-bpmp ligands form [Co(hqda)(4-bpmp)(H(2)O)(2)](n) coordination polymer layers parallel to (110) that are anchored into the full crystal structure by O—H⋯O hydrogen bonding between aqua ligands and ligated hqda O atoms. Disordered water molecules of crystallization occupy incipient channels along [100]. However, these could not modeled reliably and so they were treated with SQUEEZE in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]; the crystal data take the presence of these molecules into account. The crystal under investigation was twinned by non-merohedry, the twin fraction of the components being 53.3% and 46.7%. Only data from the major twin component were used in the refinement. International Union of Crystallography 2014-05-03 /pmc/articles/PMC4051029/ /pubmed/24940193 http://dx.doi.org/10.1107/S1600536814008745 Text en © Sample and LaDuca 2014 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 | Metal-Organic Papers Sample, Alexander D. LaDuca, Robert L. Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2) N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2) O:O′}cobalt(II)] pentahydrate] |
title | Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2)
N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2)
O:O′}cobalt(II)] pentahydrate] |
title_full | Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2)
N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2)
O:O′}cobalt(II)] pentahydrate] |
title_fullStr | Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2)
N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2)
O:O′}cobalt(II)] pentahydrate] |
title_full_unstemmed | Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2)
N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2)
O:O′}cobalt(II)] pentahydrate] |
title_short | Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2)
N:N′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2)
O:O′}cobalt(II)] pentahydrate] |
title_sort | poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ(2)
n:n′]{μ-2,2′-[(1,4-phenylene)bis(oxy)]diacetato-κ(2)
o:o′}cobalt(ii)] pentahydrate] |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051029/ https://www.ncbi.nlm.nih.gov/pubmed/24940193 http://dx.doi.org/10.1107/S1600536814008745 |
work_keys_str_mv | AT samplealexanderd polydiaquam14bispyridin4ylmethylpiperazinek2nnm2214phenylenebisoxydiacetatok2oocobaltiipentahydrate AT laducarobertl polydiaquam14bispyridin4ylmethylpiperazinek2nnm2214phenylenebisoxydiacetatok2oocobaltiipentahydrate |