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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...

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Autores principales: Wang, Jun, Lu, Lu, Wei-Ping, Wu, He, Xi-Yang, Tao, Wang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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