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(Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis
The Yb(III) atom in the title complex, [Yb(C(27)H(24)Cl(3)N(4)O(3))] [systematic name: (2,2′,2′′-{(nitrilo)tris[ethane-2,1-diyl(nitrilo)methylylidene]}tris(4-chlorophenolato)ytterbium(III)], is coordinated by a trinegative, heptadentate ligand and exists within an N(4)O(3) donor set, which d...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050761/ https://www.ncbi.nlm.nih.gov/pubmed/27746926 http://dx.doi.org/10.1107/S2056989016013748 |
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author | Lee, See Mun Lo, Kong Mun Tan, Sang Loon Tiekink, Edward R. T. |
author_facet | Lee, See Mun Lo, Kong Mun Tan, Sang Loon Tiekink, Edward R. T. |
author_sort | Lee, See Mun |
collection | PubMed |
description | The Yb(III) atom in the title complex, [Yb(C(27)H(24)Cl(3)N(4)O(3))] [systematic name: (2,2′,2′′-{(nitrilo)tris[ethane-2,1-diyl(nitrilo)methylylidene]}tris(4-chlorophenolato)ytterbium(III)], is coordinated by a trinegative, heptadentate ligand and exists within an N(4)O(3) donor set, which defines a capped octahedral geometry whereby the amine N atom caps the triangular face defined by the three imine N atoms. The packing features supramolecular layers that stack along the a axis, sustained by a combination of aryl-C—H⋯O, imine-C—H⋯O, methylene-C—H⋯π(aryl) and end-on C—Cl⋯π(aryl) interactions. A Hirshfeld surface analysis points to the major contributions of C⋯H/ H⋯C and Cl⋯H/H⋯Cl interactions (along with H⋯H) to the overall surface but the Cl⋯H contacts are at distances greater than the sum of their van der Waals radii. |
format | Online Article Text |
id | pubmed-5050761 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507612016-10-14 (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis Lee, See Mun Lo, Kong Mun Tan, Sang Loon Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The Yb(III) atom in the title complex, [Yb(C(27)H(24)Cl(3)N(4)O(3))] [systematic name: (2,2′,2′′-{(nitrilo)tris[ethane-2,1-diyl(nitrilo)methylylidene]}tris(4-chlorophenolato)ytterbium(III)], is coordinated by a trinegative, heptadentate ligand and exists within an N(4)O(3) donor set, which defines a capped octahedral geometry whereby the amine N atom caps the triangular face defined by the three imine N atoms. The packing features supramolecular layers that stack along the a axis, sustained by a combination of aryl-C—H⋯O, imine-C—H⋯O, methylene-C—H⋯π(aryl) and end-on C—Cl⋯π(aryl) interactions. A Hirshfeld surface analysis points to the major contributions of C⋯H/ H⋯C and Cl⋯H/H⋯Cl interactions (along with H⋯H) to the overall surface but the Cl⋯H contacts are at distances greater than the sum of their van der Waals radii. International Union of Crystallography 2016-09-05 /pmc/articles/PMC5050761/ /pubmed/27746926 http://dx.doi.org/10.1107/S2056989016013748 Text en © Lee et al. 2016 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 | Research Communications Lee, See Mun Lo, Kong Mun Tan, Sang Loon Tiekink, Edward R. T. (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis |
title | (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis |
title_full | (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis |
title_fullStr | (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis |
title_full_unstemmed | (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis |
title_short | (Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis |
title_sort | (tris{2-[(5-chloro-2-oxidobenzylidene-κo)amino-κn]ethyl}amine-κn)ytterbium(iii): crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050761/ https://www.ncbi.nlm.nih.gov/pubmed/27746926 http://dx.doi.org/10.1107/S2056989016013748 |
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