Cargando…
Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)]
In the title coordination polymer, [Zr(C(8)H(2)O(6))(C(6)H(12)N(2)O)(2)](n), the Zr(IV) atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O′-bidentate 2,5-dioxidoterephthalate (DHTP(4−)) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588472/ https://www.ncbi.nlm.nih.gov/pubmed/23476499 http://dx.doi.org/10.1107/S1600536813003437 |
_version_ | 1782261573568430080 |
---|---|
author | Maercz, Matthias Wragg, David Stephen Dietzel, Pascal Daniel Croumbie Fjellvåg, Helmer |
author_facet | Maercz, Matthias Wragg, David Stephen Dietzel, Pascal Daniel Croumbie Fjellvåg, Helmer |
author_sort | Maercz, Matthias |
collection | PubMed |
description | In the title coordination polymer, [Zr(C(8)H(2)O(6))(C(6)H(12)N(2)O)(2)](n), the Zr(IV) atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O′-bidentate 2,5-dioxidoterephthalate (DHTP(4−)) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the latter in a cis orientation) in a distorted ZrO(6) octahedral geometry. The deprotonated hydroxy and carboxy O atoms of the DHTP(4−) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxylate group and the aromatic ring is 19.94 (11)°. The DHTP(4−) ligand is completed by crystallographic inversion symmetry and coordinates to two Zr(IV) atoms, thereby forming polymeric zigzag chains propagating in the c-axis direction. |
format | Online Article Text |
id | pubmed-3588472 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35884722013-03-08 Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] Maercz, Matthias Wragg, David Stephen Dietzel, Pascal Daniel Croumbie Fjellvåg, Helmer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title coordination polymer, [Zr(C(8)H(2)O(6))(C(6)H(12)N(2)O)(2)](n), the Zr(IV) atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O′-bidentate 2,5-dioxidoterephthalate (DHTP(4−)) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the latter in a cis orientation) in a distorted ZrO(6) octahedral geometry. The deprotonated hydroxy and carboxy O atoms of the DHTP(4−) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxylate group and the aromatic ring is 19.94 (11)°. The DHTP(4−) ligand is completed by crystallographic inversion symmetry and coordinates to two Zr(IV) atoms, thereby forming polymeric zigzag chains propagating in the c-axis direction. International Union of Crystallography 2013-02-16 /pmc/articles/PMC3588472/ /pubmed/23476499 http://dx.doi.org/10.1107/S1600536813003437 Text en © Maercz et al. 2013 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 Maercz, Matthias Wragg, David Stephen Dietzel, Pascal Daniel Croumbie Fjellvåg, Helmer Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] |
title | Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] |
title_full | Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] |
title_fullStr | Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] |
title_full_unstemmed | Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] |
title_short | Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)] |
title_sort | poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(iv)] |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588472/ https://www.ncbi.nlm.nih.gov/pubmed/23476499 http://dx.doi.org/10.1107/S1600536813003437 |
work_keys_str_mv | AT maerczmatthias polybis13dimethyl13diazinan2one25dioxidoterephthalatozirconiumiv AT wraggdavidstephen polybis13dimethyl13diazinan2one25dioxidoterephthalatozirconiumiv AT dietzelpascaldanielcroumbie polybis13dimethyl13diazinan2one25dioxidoterephthalatozirconiumiv AT fjellvaghelmer polybis13dimethyl13diazinan2one25dioxidoterephthalatozirconiumiv |