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Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1)
In the title compoud, [Cd(C(12)H(8)N(2))(3)](C(16)H(8)N(2)O(8))·0.5C(16)H(10)N(2)O(8)·CH(3)OH, the Cd(II) atom has a distorted octahedral coordination formed by six N atoms from three separate phenanthroline ligands. One of the 4,4′-diazenediyldiphthalic acid molecules is arranged around an invers...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151760/ https://www.ncbi.nlm.nih.gov/pubmed/21836864 http://dx.doi.org/10.1107/S160053681102068X |
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author | Wang, Jun Lu, Lu Wei-Ping, Wu He, Xi-Yang Tao, Wang |
author_facet | Wang, Jun Lu, Lu Wei-Ping, Wu He, Xi-Yang Tao, Wang |
author_sort | Wang, Jun |
collection | PubMed |
description | In the title compoud, [Cd(C(12)H(8)N(2))(3)](C(16)H(8)N(2)O(8))·0.5C(16)H(10)N(2)O(8)·CH(3)OH, the Cd(II) atom has a distorted octahedral coordination formed by six N atoms from three separate phenanthroline ligands. One of the 4,4′-diazenediyldiphthalic acid molecules is arranged around an inversion center and possesses two –COOH groups, while the other is partially deprotonated and is a dianion for charge balance. It can be noted that, in the undeprotonated acid, the –COOH groups are disordered over two positions by rotation around the C—C bond linking the –COOH group to the phenyl ring. Surprisingly, the H atom is not involved in the disorder. In the dianion, the remaining H atom is located between the two COO groups. These deprotonated and undeprotonated molecules are linked by O—H⋯O hydrogen bonds, forming a chain developing parallel to the [111] direction. The methanol solvent molecule is highly disordered; it was not considered in the final model by elimination of its contribution from the intensity data. |
format | Online Article Text |
id | pubmed-3151760 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31517602011-08-11 Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) Wang, Jun Lu, Lu Wei-Ping, Wu He, Xi-Yang Tao, Wang Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compoud, [Cd(C(12)H(8)N(2))(3)](C(16)H(8)N(2)O(8))·0.5C(16)H(10)N(2)O(8)·CH(3)OH, the Cd(II) atom has a distorted octahedral coordination formed by six N atoms from three separate phenanthroline ligands. One of the 4,4′-diazenediyldiphthalic acid molecules is arranged around an inversion center and possesses two –COOH groups, while the other is partially deprotonated and is a dianion for charge balance. It can be noted that, in the undeprotonated acid, the –COOH groups are disordered over two positions by rotation around the C—C bond linking the –COOH group to the phenyl ring. Surprisingly, the H atom is not involved in the disorder. In the dianion, the remaining H atom is located between the two COO groups. These deprotonated and undeprotonated molecules are linked by O—H⋯O hydrogen bonds, forming a chain developing parallel to the [111] direction. The methanol solvent molecule is highly disordered; it was not considered in the final model by elimination of its contribution from the intensity data. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151760/ /pubmed/21836864 http://dx.doi.org/10.1107/S160053681102068X Text en © Wang et al. 2011 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 Wang, Jun Lu, Lu Wei-Ping, Wu He, Xi-Yang Tao, Wang Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
title | Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
title_full | Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
title_fullStr | Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
title_full_unstemmed | Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
title_short | Tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
title_sort | tris(1,10-phenanthroline)cadmium 3,3′-dicarboxy-4,4′-diazenediyldibenzoate–4,4′-diazenediyldiphthalic acid–methanol (1/0.5/1) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151760/ https://www.ncbi.nlm.nih.gov/pubmed/21836864 http://dx.doi.org/10.1107/S160053681102068X |
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