Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion

The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ-cyanido-κ2N:C-[bis(cyanido-κC)nickel(II)]-μ-cyanido-κ2C:N] dihydrate], {[Ni2(CN)4(C10H24N4)]·2H2O]n or [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, consists of a pair of crystallographicall...

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Autores principales:	Liudmyla V. Tsymbal, Irina L. Andriichuk, Sergiu Shova, Yaroslaw D. Lampeka
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure coordination polymer cyclam nickel hydrogen bonds Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/b742378162314b4c88dbdc8799925a91
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spelling	oai:doaj.org-article:b742378162314b4c88dbdc8799925a912021-11-12T11:16:09ZCrystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion2056-989010.1107/S2056989021010902https://doaj.org/article/b742378162314b4c88dbdc8799925a912021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010902https://doaj.org/toc/2056-9890The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ-cyanido-κ2N:C-[bis(cyanido-κC)nickel(II)]-μ-cyanido-κ2C:N] dihydrate], {[Ni2(CN)4(C10H24N4)]·2H2O]n or [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, consists of a pair of crystallographically non-equivalent macrocyclic cations and anions. The nickel(II) ions (all with site symmetry \overline{1}) are coordinated by the four secondary N atoms of the macrocyclic ligands, which adopt the most energetically stable trans-III conformation, and the mutually trans N atoms of the tetracyanonickelate anion in a slightly tetragonally distorted NiN6 octahedral coordination geometry. The [Ni(CN)4)]2– anion exhibits a bridging function, resulting in the formation of parallel polymeric chains running along the [1\overline{1}0] direction. The water molecules of crystallization play a pivotal role in the three-dimensional supramolecular organization of the crystal. Acting as acceptors, they form N—H...Ow (w = water) hydrogen bonds with the secondary amino groups of the macrocycles, forming layers oriented parallel to the (001) plane. At the same time, as donors, they interact with the non-coordinated cyano groups of the anion via Ow—H...Nc (c = cyanide) hydrogen bonds, giving two-dimensional layers oriented parallel to the (100) plane and thus generating a three-dimensional network.Liudmyla V. TsymbalIrina L. AndriichukSergiu ShovaYaroslaw D. LampekaInternational Union of Crystallographyarticlecrystal structurecoordination polymercyclamnickelhydrogen bondsChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1140-1143 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure coordination polymer cyclam nickel hydrogen bonds Chemistry QD1-999
spellingShingle	crystal structure coordination polymer cyclam nickel hydrogen bonds Chemistry QD1-999 Liudmyla V. Tsymbal Irina L. Andriichuk Sergiu Shova Yaroslaw D. Lampeka Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion
description	The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ-cyanido-κ2N:C-[bis(cyanido-κC)nickel(II)]-μ-cyanido-κ2C:N] dihydrate], {[Ni2(CN)4(C10H24N4)]·2H2O]n or [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, consists of a pair of crystallographically non-equivalent macrocyclic cations and anions. The nickel(II) ions (all with site symmetry \overline{1}) are coordinated by the four secondary N atoms of the macrocyclic ligands, which adopt the most energetically stable trans-III conformation, and the mutually trans N atoms of the tetracyanonickelate anion in a slightly tetragonally distorted NiN6 octahedral coordination geometry. The [Ni(CN)4)]2– anion exhibits a bridging function, resulting in the formation of parallel polymeric chains running along the [1\overline{1}0] direction. The water molecules of crystallization play a pivotal role in the three-dimensional supramolecular organization of the crystal. Acting as acceptors, they form N—H...Ow (w = water) hydrogen bonds with the secondary amino groups of the macrocycles, forming layers oriented parallel to the (001) plane. At the same time, as donors, they interact with the non-coordinated cyano groups of the anion via Ow—H...Nc (c = cyanide) hydrogen bonds, giving two-dimensional layers oriented parallel to the (100) plane and thus generating a three-dimensional network.
format	article
author	Liudmyla V. Tsymbal Irina L. Andriichuk Sergiu Shova Yaroslaw D. Lampeka
author_facet	Liudmyla V. Tsymbal Irina L. Andriichuk Sergiu Shova Yaroslaw D. Lampeka
author_sort	Liudmyla V. Tsymbal
title	Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion
title_short	Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion
title_full	Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion
title_fullStr	Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion
title_full_unstemmed	Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion
title_sort	crystal structure of [{[ni(c10h24n4)][ni(cn)4]}·2h2o]n, a one-dimensional coordination polymer formed from the [ni(cyclam)]2+ cation and the [ni(cn)4]2– anion
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/b742378162314b4c88dbdc8799925a91
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_version_	1718430640688332800

Crystal structure of [{[Ni(C10H24N4)][Ni(CN)4]}·2H2O]n, a one-dimensional coordination polymer formed from the [Ni(cyclam)]2+ cation and the [Ni(CN)4]2– anion

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