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Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M (2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data
The triclinic structures of poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dicobalt], [Co(2)(C(14)H(8)O(4))(OH)(2)]( n ), and poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dinickel], [Ni(2)(C(14)H(8)O(4))(OH)(2)]( n ), were established using laboratory X-ray powder diffraction dat...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535826/ https://www.ncbi.nlm.nih.gov/pubmed/36250126 http://dx.doi.org/10.1107/S2056989022009288 |
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author | Vegetabile, Joshua D. Kaduk, James A. |
author_facet | Vegetabile, Joshua D. Kaduk, James A. |
author_sort | Vegetabile, Joshua D. |
collection | PubMed |
description | The triclinic structures of poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dicobalt], [Co(2)(C(14)H(8)O(4))(OH)(2)]( n ), and poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dinickel], [Ni(2)(C(14)H(8)O(4))(OH)(2)]( n ), were established using laboratory X-ray powder diffraction data. These structures, as well as that of poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dimanganese], [Mn(2)(C(14)H(8)O(4))(OH)(2)]( n ), were optimized using density functional techniques. The structure of diammonium 4,4′-biphenyldicarboxylate, 2NH(4) (+)·C(14)H(8)O(4) (2−), was also solved using laboratory powder data. The Mn and Co compounds are isostructural: the octahedral MO(6) groups share edges to form chains running parallel to the c-axis. These chains share corners (OH groups) to link into layers lying parallel to the bc plane. The hydroxyl groups do not participate in hydrogen bonds. The structure of (NH(4))(2)BPDC consists of alternating layers of BPDC and ammonium ions lying parallel to the ab plane. Each hydrogen atom of the ammonium ions in (NH(4))(2)BPDC participates in a strong N—H⋯O hydrogen bond. |
format | Online Article Text |
id | pubmed-9535826 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-95358262022-10-13 Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M (2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data Vegetabile, Joshua D. Kaduk, James A. Acta Crystallogr E Crystallogr Commun Research Communications The triclinic structures of poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dicobalt], [Co(2)(C(14)H(8)O(4))(OH)(2)]( n ), and poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dinickel], [Ni(2)(C(14)H(8)O(4))(OH)(2)]( n ), were established using laboratory X-ray powder diffraction data. These structures, as well as that of poly[(μ(4)-4,4′-biphenyldicarboxylato)di-μ-hydroxido-dimanganese], [Mn(2)(C(14)H(8)O(4))(OH)(2)]( n ), were optimized using density functional techniques. The structure of diammonium 4,4′-biphenyldicarboxylate, 2NH(4) (+)·C(14)H(8)O(4) (2−), was also solved using laboratory powder data. The Mn and Co compounds are isostructural: the octahedral MO(6) groups share edges to form chains running parallel to the c-axis. These chains share corners (OH groups) to link into layers lying parallel to the bc plane. The hydroxyl groups do not participate in hydrogen bonds. The structure of (NH(4))(2)BPDC consists of alternating layers of BPDC and ammonium ions lying parallel to the ab plane. Each hydrogen atom of the ammonium ions in (NH(4))(2)BPDC participates in a strong N—H⋯O hydrogen bond. International Union of Crystallography 2022-09-30 /pmc/articles/PMC9535826/ /pubmed/36250126 http://dx.doi.org/10.1107/S2056989022009288 Text en © Vegetabile and Kaduk 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Vegetabile, Joshua D. Kaduk, James A. Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M (2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
title | Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M
(2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
title_full | Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M
(2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
title_fullStr | Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M
(2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
title_full_unstemmed | Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M
(2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
title_short | Structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, M
(2)(O(2)CC(6)H(4)C(6)H(4)CO(2))(OH)(2), M = Co and Ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
title_sort | structures of dicobalt and dinickel 4,4′-biphenyldicarboxylate dihydroxide, m
(2)(o(2)cc(6)h(4)c(6)h(4)co(2))(oh)(2), m = co and ni, and diammonium 4,4′-biphenyldicarboxylate from powder diffraction data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535826/ https://www.ncbi.nlm.nih.gov/pubmed/36250126 http://dx.doi.org/10.1107/S2056989022009288 |
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