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Crystal structure of [{[Ni(C(10)H(24)N(4))][Ni(CN)(4)]}·2H(2)O]( 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-κ(4) N (1),N (4),N (8),N (11))nickel(II)]-μ-cyanido-κ(2) N:C-[bis(cyanido-κC)nickel(II)]-μ-cyanido-κ(2) C:N] dihydrate], {[Ni(2)(CN)(4)(C(10)H(24)N(4))]·2H(2)O]( n ) or [{[Ni(C(10)H(24)N(4))][Ni(CN)(4)]}...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587981/ https://www.ncbi.nlm.nih.gov/pubmed/34868652 http://dx.doi.org/10.1107/S2056989021010902 |
Sumario: | The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ(4) N (1),N (4),N (8),N (11))nickel(II)]-μ-cyanido-κ(2) N:C-[bis(cyanido-κC)nickel(II)]-μ-cyanido-κ(2) C:N] dihydrate], {[Ni(2)(CN)(4)(C(10)H(24)N(4))]·2H(2)O]( n ) or [{[Ni(C(10)H(24)N(4))][Ni(CN)(4)]}·2H(2)O]( n ), consists of a pair of crystallographically non-equivalent macrocyclic cations and anions. The nickel(II) ions (all with site symmetry [Image: see text] ) 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 NiN(6) 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 [Image: see text] 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⋯O(w) (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 O(w)—H⋯N(c) (c = cyanide) hydrogen bonds, giving two-dimensional layers oriented parallel to the (100) plane and thus generating a three-dimensional network. |
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