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Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid

The title complex, [Ni(2)(C(9)H(4)O(6))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, bis­(μ-5-carb­oxy­benzene-1,3-di­carboxyl­ato-κ(2) O (1):O (1′))bis­[di­aqua(1H-imidazo[4,5-f][1,10]phenanthroline-κ(2) N (7),N (8))nickel(II)] di­hydrate, was obtained under solvothermal conditions by the reaction of be...

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Detalles Bibliográficos
Autores principales: Lv, Ying, Hao, Xiang-Rong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438790/
https://www.ncbi.nlm.nih.gov/pubmed/26029419
http://dx.doi.org/10.1107/S205698901500420X
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author Lv, Ying
Hao, Xiang-Rong
author_facet Lv, Ying
Hao, Xiang-Rong
author_sort Lv, Ying
collection PubMed
description The title complex, [Ni(2)(C(9)H(4)O(6))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, bis­(μ-5-carb­oxy­benzene-1,3-di­carboxyl­ato-κ(2) O (1):O (1′))bis­[di­aqua(1H-imidazo[4,5-f][1,10]phenanthroline-κ(2) N (7),N (8))nickel(II)] di­hydrate, was obtained under solvothermal conditions by the reaction of benzene-1,3,5-tricarboxylic acid (H(3)BTC) with Ni(NO(3))(2) in the presence of 1H-imidazo[4,5-f][1,10]phenanthroline (IP). The crystal has triclinic (P-1) symmetry with a centrosymmetric binuclear nickel(II) cluster. The Ni(II) atom is coordinated by two N atoms from a chelating 1H-imidazo[4,5-f][1,10]phenanthroline ligand, two carboxyl­ate O atoms from two 5-carb­oxy­benzene-1,3-di­carboxyl­ate ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. Two carboxyl­ate groups bridge two Ni(II) cations, forming the binuclear complex. Extensive N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonding is present in the crystal structure, forming a three-dimensional supermolecular framework. Weak π–π stacking is observed between parallel HBTC(2−) and IP ring systems, the face-to-face separation being 3.695 (2) Å.
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spelling pubmed-44387902015-05-30 Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid Lv, Ying Hao, Xiang-Rong Acta Crystallogr E Crystallogr Commun Data Reports The title complex, [Ni(2)(C(9)H(4)O(6))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, bis­(μ-5-carb­oxy­benzene-1,3-di­carboxyl­ato-κ(2) O (1):O (1′))bis­[di­aqua(1H-imidazo[4,5-f][1,10]phenanthroline-κ(2) N (7),N (8))nickel(II)] di­hydrate, was obtained under solvothermal conditions by the reaction of benzene-1,3,5-tricarboxylic acid (H(3)BTC) with Ni(NO(3))(2) in the presence of 1H-imidazo[4,5-f][1,10]phenanthroline (IP). The crystal has triclinic (P-1) symmetry with a centrosymmetric binuclear nickel(II) cluster. The Ni(II) atom is coordinated by two N atoms from a chelating 1H-imidazo[4,5-f][1,10]phenanthroline ligand, two carboxyl­ate O atoms from two 5-carb­oxy­benzene-1,3-di­carboxyl­ate ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. Two carboxyl­ate groups bridge two Ni(II) cations, forming the binuclear complex. Extensive N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonding is present in the crystal structure, forming a three-dimensional supermolecular framework. Weak π–π stacking is observed between parallel HBTC(2−) and IP ring systems, the face-to-face separation being 3.695 (2) Å. International Union of Crystallography 2015-03-21 /pmc/articles/PMC4438790/ /pubmed/26029419 http://dx.doi.org/10.1107/S205698901500420X Text en © Lv and Hao 2015 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 Data Reports
Lv, Ying
Hao, Xiang-Rong
Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
title Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
title_full Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
title_fullStr Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
title_full_unstemmed Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
title_short Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
title_sort crystal structure of a binuclear nickel(ii) complex constructed of 1h-imidazo[4,5-f][1,10]phenanthroline and doubly deprotonated benzene-1,3,5-tri­carb­oxy­lic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438790/
https://www.ncbi.nlm.nih.gov/pubmed/26029419
http://dx.doi.org/10.1107/S205698901500420X
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