Dataset : Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane -κ3S:S:S'] hexafluoridophosphate]


General metadata

Identifiers :
local : FR-18008901306731-2021-03-12-03 external : doi:10.25666/DATAOSU-2021-03-12-03 , doi:10.1107/S205698901901627X
Description :
The polymeric title compound, [Cu2(C2H3N)2(C3H6S2)2](PF6)2, represents an example of a one-dimensional coordination polymer resulting from the reaction of [Cu(MeCN)4][PF6] with 1,3-di­thiol­ane. The cationic one-dimensional ribbon consists of two copper(I) centers each ligated by one aceto­nitrile mol­ecule and inter­connected through two bridging 1,3-di­thiol­ane ligands. One S-donor site of each ligand is κ1-bound to Cu, whereas the second S atom acts as a four-electron donor, bridging two Cu atoms in a κ4-bonding mode. The positive charge of each copper cation is compensated for by a hexa­fluorido­phosphate counter-ion. In the crystal, the polymer chains are linked by a series of C—H...F hydrogen bonds, forming a supra­molecular framework.
Disciplines :
Keywords :

Dates :
Data acquisition : 2017
Data provision : 1 Jan 2020
Metadata record : Creation : 12 Mar 2021

Language : English (eng)
Audience : University: master, Research
RightsAttribution, Non Commercial, Share Alike


Lena Knauer, Michael Knorr, Lydie Viau, Carsten Strohmann (2020): Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane -κ3S:S:S'] hexafluoridophosphate]. IUCr. doi:10.25666/DATAOSU-2021-03-12-03

Administrative metadata

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

Technical metadata

Formats : application/pdf, chemical/x-cdx, chemical/x-cif
Data acquisition methods :
Datatype : Dataset


  • Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane-κ3S:S:S′] hexafluoridophosphate] (doi:10.1107/S205698901901627X)


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