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cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate

The complete cation in the title hydrated mol­ecular salt, [Ni(CH(3)CO(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is generated by the application of crystallographic twofold symmetry; the perchlorate anion and water mol­ecule are each disordered around a twofold axis. The Ni(II) atom exists within a cis-N(4)...

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Autores principales: Roy, Tapashi G., Palit, Debashis, Nath, Babul Chandra, Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343905/
https://www.ncbi.nlm.nih.gov/pubmed/22589873
http://dx.doi.org/10.1107/S1600536812013232
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author Roy, Tapashi G.
Palit, Debashis
Nath, Babul Chandra
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Roy, Tapashi G.
Palit, Debashis
Nath, Babul Chandra
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Roy, Tapashi G.
collection PubMed
description The complete cation in the title hydrated mol­ecular salt, [Ni(CH(3)CO(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is generated by the application of crystallographic twofold symmetry; the perchlorate anion and water mol­ecule are each disordered around a twofold axis. The Ni(II) atom exists within a cis-N(4)O(2) donor set based on a strongly distorted octa­hedron and defined by the four N atoms of the macrocyclic ligand and two O atoms of a symmetrically coordinating acetate ligand. In the crystal, hydrogen bonding (water–acetate/perchlorate O—H⋯O and amine–perchlorate N—H⋯O) leads to layers in the ab plane. The layers stack along the c axis, being connected by C—H⋯O(water) inter­actions. The crystal studied was found to be a non-merohedral twin; the minor component refined to 15.9 (6)%.
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spelling pubmed-33439052012-05-15 cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate Roy, Tapashi G. Palit, Debashis Nath, Babul Chandra Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The complete cation in the title hydrated mol­ecular salt, [Ni(CH(3)CO(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is generated by the application of crystallographic twofold symmetry; the perchlorate anion and water mol­ecule are each disordered around a twofold axis. The Ni(II) atom exists within a cis-N(4)O(2) donor set based on a strongly distorted octa­hedron and defined by the four N atoms of the macrocyclic ligand and two O atoms of a symmetrically coordinating acetate ligand. In the crystal, hydrogen bonding (water–acetate/perchlorate O—H⋯O and amine–perchlorate N—H⋯O) leads to layers in the ab plane. The layers stack along the c axis, being connected by C—H⋯O(water) inter­actions. The crystal studied was found to be a non-merohedral twin; the minor component refined to 15.9 (6)%. International Union of Crystallography 2012-03-31 /pmc/articles/PMC3343905/ /pubmed/22589873 http://dx.doi.org/10.1107/S1600536812013232 Text en © Roy et al. 2012 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
Roy, Tapashi G.
Palit, Debashis
Nath, Babul Chandra
Ng, Seik Weng
Tiekink, Edward R. T.
cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
title cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
title_full cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
title_fullStr cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
title_full_unstemmed cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
title_short cis-(Acetato-κ(2) O,O′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
title_sort cis-(acetato-κ(2) o,o′)(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n,n′,n′′,n′′′)nickel(ii) perchlorate monohydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343905/
https://www.ncbi.nlm.nih.gov/pubmed/22589873
http://dx.doi.org/10.1107/S1600536812013232
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