Cargando…
C (2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes
The title compound, hexakis[μ(3)-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-octahedro-hexapalladium(II), [Pd(C(4)F(6)S(2))](6), crystallizes as its benzene solvate, [Pd(tfd)](6)·2.5C(6)H(6), where tfd is the dithiolene S(2)C(2)(CF(3))(2). The molecular structure of [Pd(tfd)](6) is o...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499268/ https://www.ncbi.nlm.nih.gov/pubmed/28775860 http://dx.doi.org/10.1107/S2056989017007897 |
_version_ | 1783248439887265792 |
---|---|
author | Moscattini, Joshua Lough, Alan J. Fekl, Ulrich |
author_facet | Moscattini, Joshua Lough, Alan J. Fekl, Ulrich |
author_sort | Moscattini, Joshua |
collection | PubMed |
description | The title compound, hexakis[μ(3)-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-octahedro-hexapalladium(II), [Pd(C(4)F(6)S(2))](6), crystallizes as its benzene solvate, [Pd(tfd)](6)·2.5C(6)H(6), where tfd is the dithiolene S(2)C(2)(CF(3))(2). The molecular structure of [Pd(tfd)](6) is of the hexametallic cube type seen previously in three examples of hexameric homoleptic palladium monodithiolene structures. All structures have in common: (a) the cluster closely approximates a cube containing six Pd(II) atoms, one at the centre of each cube face; (b) 12 S atoms occupy the mid-points of all 12 cube edges, providing for each Pd(II) atom an approximately square-planar S (4) environment; (c) each S atom is part of a dithiolene molecule, where the size of the dithiolene ligand necessitates that only sulfur atoms on adjacent cube edges can be part of the same dithiolene. This general cube-type framework has so far given rise to two isomeric types: an S (6)-symmetric isomer and a C (2)-chiral type (two isomers that are enantiomers of each other). The structure of [Pd(tfd)](6) is of the C (2)-type. Out of the 12 CF(3) groups, three are rotationally disordered over two positions. Further, we answer the question of whether additional, previously undiscovered, isomers could follow from the cube rules (a) through (c) above. An exhaustive analysis shows that no additional isomers are possible and that the list of isomers (one S (6) isomer, two C (2) enantiomers) is complete. Each isomer type could give rise to an unlimited number of compounds if the specific dithiolene used is varied. |
format | Online Article Text |
id | pubmed-5499268 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54992682017-08-03 C (2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes Moscattini, Joshua Lough, Alan J. Fekl, Ulrich Acta Crystallogr E Crystallogr Commun Research Communications The title compound, hexakis[μ(3)-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-octahedro-hexapalladium(II), [Pd(C(4)F(6)S(2))](6), crystallizes as its benzene solvate, [Pd(tfd)](6)·2.5C(6)H(6), where tfd is the dithiolene S(2)C(2)(CF(3))(2). The molecular structure of [Pd(tfd)](6) is of the hexametallic cube type seen previously in three examples of hexameric homoleptic palladium monodithiolene structures. All structures have in common: (a) the cluster closely approximates a cube containing six Pd(II) atoms, one at the centre of each cube face; (b) 12 S atoms occupy the mid-points of all 12 cube edges, providing for each Pd(II) atom an approximately square-planar S (4) environment; (c) each S atom is part of a dithiolene molecule, where the size of the dithiolene ligand necessitates that only sulfur atoms on adjacent cube edges can be part of the same dithiolene. This general cube-type framework has so far given rise to two isomeric types: an S (6)-symmetric isomer and a C (2)-chiral type (two isomers that are enantiomers of each other). The structure of [Pd(tfd)](6) is of the C (2)-type. Out of the 12 CF(3) groups, three are rotationally disordered over two positions. Further, we answer the question of whether additional, previously undiscovered, isomers could follow from the cube rules (a) through (c) above. An exhaustive analysis shows that no additional isomers are possible and that the list of isomers (one S (6) isomer, two C (2) enantiomers) is complete. Each isomer type could give rise to an unlimited number of compounds if the specific dithiolene used is varied. International Union of Crystallography 2017-06-02 /pmc/articles/PMC5499268/ /pubmed/28775860 http://dx.doi.org/10.1107/S2056989017007897 Text en © Moscattini et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Moscattini, Joshua Lough, Alan J. Fekl, Ulrich C (2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes |
title |
C
(2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes |
title_full |
C
(2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes |
title_fullStr |
C
(2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes |
title_full_unstemmed |
C
(2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes |
title_short |
C
(2)-isomer of [Pd(tfd)](6) [tfd is S(2)C(2)(CF(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodithiolenes in the form of hexameric cubes |
title_sort | c
(2)-isomer of [pd(tfd)](6) [tfd is s(2)c(2)(cf(3))(2)] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(ii) monodithiolenes in the form of hexameric cubes |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499268/ https://www.ncbi.nlm.nih.gov/pubmed/28775860 http://dx.doi.org/10.1107/S2056989017007897 |
work_keys_str_mv | AT moscattinijoshua c2isomerofpdtfd6tfdiss2c2cf32asitsbenzenesolvateanewmemberofthesmallbutgrowingclassofhomolepticpalladiumiimonodithiolenesintheformofhexamericcubes AT loughalanj c2isomerofpdtfd6tfdiss2c2cf32asitsbenzenesolvateanewmemberofthesmallbutgrowingclassofhomolepticpalladiumiimonodithiolenesintheformofhexamericcubes AT feklulrich c2isomerofpdtfd6tfdiss2c2cf32asitsbenzenesolvateanewmemberofthesmallbutgrowingclassofhomolepticpalladiumiimonodithiolenesintheformofhexamericcubes |