Cargando…
Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data
In the asymmetric unit of the title compound, [CrF(2)(C(5)H(5)N)(4)][ZnCl(3)(C(5)H(5)N)]·H(2)O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The Cr(III) ions are coordinated by four pyrid...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257241/ https://www.ncbi.nlm.nih.gov/pubmed/25484725 http://dx.doi.org/10.1107/S160053681402145X |
_version_ | 1782347708722315264 |
---|---|
author | Moon, Dohyun Choi, Jong-Ha |
author_facet | Moon, Dohyun Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | In the asymmetric unit of the title compound, [CrF(2)(C(5)H(5)N)(4)][ZnCl(3)(C(5)H(5)N)]·H(2)O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The Cr(III) ions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in a trans axial arrangement, displaying a slightly distorted octahedral geometry. The Cr—N(py) bond lengths are in the range 2.0873 (14) to 2.0926 (17) Å while the Cr—F bond lengths are 1.8609 (10) and 1.8645 (10) Å. The [ZnCl(3)(C(5)H(5)N)](−) anion has a distorted tetrahedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631 (9):0.369 (9) ratio. In the crystal, two anions and two water molecules are linked via O—H⋯Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C—H⋯Cl, C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.712 (2) and 3.780 (2)Å] link the components of the structure into a three-dimensional network. |
format | Online Article Text |
id | pubmed-4257241 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572412014-12-05 Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr Sect E Struct Rep Online Research Communications In the asymmetric unit of the title compound, [CrF(2)(C(5)H(5)N)(4)][ZnCl(3)(C(5)H(5)N)]·H(2)O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The Cr(III) ions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in a trans axial arrangement, displaying a slightly distorted octahedral geometry. The Cr—N(py) bond lengths are in the range 2.0873 (14) to 2.0926 (17) Å while the Cr—F bond lengths are 1.8609 (10) and 1.8645 (10) Å. The [ZnCl(3)(C(5)H(5)N)](−) anion has a distorted tetrahedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631 (9):0.369 (9) ratio. In the crystal, two anions and two water molecules are linked via O—H⋯Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C—H⋯Cl, C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.712 (2) and 3.780 (2)Å] link the components of the structure into a three-dimensional network. International Union of Crystallography 2014-10-04 /pmc/articles/PMC4257241/ /pubmed/25484725 http://dx.doi.org/10.1107/S160053681402145X Text en © Moon and Choi 2014 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 Moon, Dohyun Choi, Jong-Ha Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data |
title | Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data |
title_full | Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data |
title_fullStr | Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data |
title_full_unstemmed | Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data |
title_short | Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data |
title_sort | crystal structure of trans-difluoridotetrakis(pyridine-κn)chromium(iii) trichlorido(pyridine-κn)zincate monohydrate from synchrotron data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257241/ https://www.ncbi.nlm.nih.gov/pubmed/25484725 http://dx.doi.org/10.1107/S160053681402145X |
work_keys_str_mv | AT moondohyun crystalstructureoftransdifluoridotetrakispyridineknchromiumiiitrichloridopyridineknzincatemonohydratefromsynchrotrondata AT choijongha crystalstructureoftransdifluoridotetrakispyridineknchromiumiiitrichloridopyridineknzincatemonohydratefromsynchrotrondata |