Dataset : Crystal structures of 9-[bis­­(benzyl­sulfan­yl)meth­yl]anthracene and of cyclo-dodeca­kis­(μ2-phenyl­methane­thiol­ato-κ2S:S)hexa­palladium(6 Pd—Pd)–anthracene-9,10-dione (1/1)

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General metadata

Identifiers :
local : FR-18008901306731-2021-06-22 external : doi:10.25666/DATAOSU-2021-06-22 , doi:10.1107/S2056989021006113
Description :
The first title compound, C29H24S2, L1, represents an example of an anthracene-based functionalized di­thio­ether, which may be useful as a potential chelating or terminal ligand for coordination chemistry. This di­thio­acetal L1 crystallizes in the monoclinic space group P21/c. The phenyl rings of the benzyl groups and that of the anthracene unit form dihedral angles of 49.21 (4) and 58.79 (5)° and the crystal structure displays short C–H⋯π contacts. Surprisingly, when attempting to coordinate L1 to [PdCl2(PhCN)2], instead of the targeted chelate complex [PdCl2(κ2-L1)], a cleavage reaction leads to the formation of the centrosymmetric hexa­nuclear cyclic cluster of composition [Pd6(μ2-SCH2Ph)12] Pd6, or [Pd6(C7H7S)12]·C14H8O2. This tiara-shaped hexa­mer crystallizing in the triclinic space group P[\overline{1}] consists of six approximately square planar Pd(II)S4 centers, which are inter­connected through twelve μ2-bridging benzyl thiol­ate groups. The Pd⋯Pd contacts range from 3.0892 (2) to 3.1609 (2) Å and can be considered as weakly bonding. The unit cell of Pd6 contains also a co-crystallized anthracene-9,10-dione mol­ecule.
Disciplines :
Keywords :

Dates :
Data acquisition : 2018
Data provision : 18 Jun 2021
Metadata record : Creation : 22 Jun 2021

Update periodicity : no update
Language : English (eng)
Additional information :
CCDC references: 2089413; 2089412
Audience : University: master, Research
RightsAttribution
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Collection

Quotation

Abhinav Raghuvanshi, Anna Krupp, Lydie Viau, Michael Knorr, Carsten Strohmann (2021): Crystal structures of 9-[bis­­(benzyl­sulfan­yl)meth­yl]anthracene and of cyclo-dodeca­kis­(μ2-phenyl­methane­thiol­ato-κ2S:S)hexa­palladium(6 Pd—Pd)–anthracene-9,10-dione (1/1). IUCr. doi:10.25666/DATAOSU-2021-06-22

Administrative metadata

Data creators : Abhinav Raghuvanshi [1] [2], Anna Krupp [3], Lydie Viau [1] [2], Michael Knorr [1] [2], Carsten Strohmann [3]
Data collector : Stéphanie Boullanger [1] [2]
[1] : Institut UTINAM (UMR 6213) (Université de Franche-Comté)
[2] : Observatoire des Sciences de l'Univers - Terre, Homme, Environnement, Temps, Astronomie (UAR 3245) (Université de Franche-Comté)
[3] : Technische Universität Dortmund
Publisher : International Union of Crystallography
Science contact : Michael Knorr website e-mail
Project and funder :
Access : available

Technical metadata

Formats : chemical/x-cif
Data acquisition methods :
Datatype : Dataset

Publications

  • Crystal structures of 9-[bis­­(benzyl­sulfan­yl)meth­yl]anthracene and of cyclo-dodeca­kis­(μ2-phenyl­methane­thiol­ato-κ2S:S)hexa­palladium(6 Pd—Pd)–anthracene-9,10-dione (1/1) (doi:10.1107/S2056989021006113)

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Université de Bourgogne, Université de Franche-Comté, UTBM, AgroSup Dijon, ENSMM, BSB, Arts des Metiers