Cargando…

Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide

The title compound, [Mo(3)(C(31)H(46)NS(2))(3)S(7)]I, crystallizes on a threefold rotational axis in P31c (space group No. 159). The [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5-( t )Bu(2))(2))(3)](+) cations are arrayed in sheets in the ab plane with inter­ligand hydro­phobic inter­actions between tert-buty...

Descripción completa

Detalles Bibliográficos
Autores principales: Chen, Yueli, Wang, Bo, Fontenot, Patricia, Donahue, James P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462243/
https://www.ncbi.nlm.nih.gov/pubmed/36339786
http://dx.doi.org/10.1107/S2414314620009396
_version_ 1784787140274552832
author Chen, Yueli
Wang, Bo
Fontenot, Patricia
Donahue, James P.
author_facet Chen, Yueli
Wang, Bo
Fontenot, Patricia
Donahue, James P.
author_sort Chen, Yueli
collection PubMed
description The title compound, [Mo(3)(C(31)H(46)NS(2))(3)S(7)]I, crystallizes on a threefold rotational axis in P31c (space group No. 159). The [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5-( t )Bu(2))(2))(3)](+) cations are arrayed in sheets in the ab plane with inter­ligand hydro­phobic inter­actions between tert-butyl groups guiding the packing arrangement. These cations form stacks parallel to the c axis with a separating distance of 10.9815 (6) Å (the c axis length) between the Mo(3) centroids. On the underside of the cluster, opposite the μ(3)-S(2−) ligand, the iodide counteranion forms close contacts of 3.166 (2) Å with the sulfur atoms of the μ(2)-S(2) (2−) ligands. These contacts are less than the sum of the van der Waals radii of the atoms (1.8 and 2.1 Å for S and I, respectively), thus indicating an appreciable degree of covalency to the [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5-( t )Bu(2))(2))(3)](+)⋯I(−) inter­actions. [Image: see text]
format Online
Article
Text
id pubmed-9462243
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-94622432022-11-04 Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide Chen, Yueli Wang, Bo Fontenot, Patricia Donahue, James P. IUCrdata Data Reports The title compound, [Mo(3)(C(31)H(46)NS(2))(3)S(7)]I, crystallizes on a threefold rotational axis in P31c (space group No. 159). The [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5-( t )Bu(2))(2))(3)](+) cations are arrayed in sheets in the ab plane with inter­ligand hydro­phobic inter­actions between tert-butyl groups guiding the packing arrangement. These cations form stacks parallel to the c axis with a separating distance of 10.9815 (6) Å (the c axis length) between the Mo(3) centroids. On the underside of the cluster, opposite the μ(3)-S(2−) ligand, the iodide counteranion forms close contacts of 3.166 (2) Å with the sulfur atoms of the μ(2)-S(2) (2−) ligands. These contacts are less than the sum of the van der Waals radii of the atoms (1.8 and 2.1 Å for S and I, respectively), thus indicating an appreciable degree of covalency to the [Mo(3)S(7)(S(2)CN(CH(2)C(6)H(3)-3,5-( t )Bu(2))(2))(3)](+)⋯I(−) inter­actions. [Image: see text] International Union of Crystallography 2020-07-17 /pmc/articles/PMC9462243/ /pubmed/36339786 http://dx.doi.org/10.1107/S2414314620009396 Text en © Chen et al. 2020 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Data Reports
Chen, Yueli
Wang, Bo
Fontenot, Patricia
Donahue, James P.
Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide
title Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide
title_full Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide
title_fullStr Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide
title_full_unstemmed Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide
title_short Tris[N,N-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) S,S′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(IV) iodide
title_sort tris[n,n-bis­(3,5-di-tert-butyl­benz­yl)di­thio­carbamato-κ(2) s,s′]-μ(3)-sulfido-tris-μ(2)-disulfido-triangulo-trimolybdenum(iv) iodide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462243/
https://www.ncbi.nlm.nih.gov/pubmed/36339786
http://dx.doi.org/10.1107/S2414314620009396
work_keys_str_mv AT chenyueli trisnnbis35ditertbutylbenzyldithiocarbamatok2ssm3sulfidotrism2disulfidotriangulotrimolybdenumiviodide
AT wangbo trisnnbis35ditertbutylbenzyldithiocarbamatok2ssm3sulfidotrism2disulfidotriangulotrimolybdenumiviodide
AT fontenotpatricia trisnnbis35ditertbutylbenzyldithiocarbamatok2ssm3sulfidotrism2disulfidotriangulotrimolybdenumiviodide
AT donahuejamesp trisnnbis35ditertbutylbenzyldithiocarbamatok2ssm3sulfidotrism2disulfidotriangulotrimolybdenumiviodide