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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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Autores principales: Vegetabile, Joshua D., Kaduk, James A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
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.
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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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