Redetermination of the crystal structure of tetrammineplatinum(II) dichloride – A microporous hydrogen-bonded 3D network exhibiting a temperature-dependent order-disorder phase transition (2019)

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Data creators : Lukas Brieger [1], Sebastian Henke [1], Ahmed Said Mohamed [2] [3], Isabelle Jourdain [2] [3], Michael Knorr [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)
Description :
The title compound [Pt(NH3)4]Cl2 (1), prepared by reaction of (NH4)2[PtCl4] with an excess of NH3 in aqueous solution, was crystallized from water and its structure redetermined by single-crystal X-ray diffraction at four different temperatures in the range from 273 K down to 100 K. 1 is composed of square-planar [Pt(NH3)4]2+ complex cations and Cl- anions and crystallizes in the tetragonal crystal system. Remarkably, the solid state structure is porous (approx. 18% of the crystal volume is void space) and features one-dimensional open channels of a diameter of ∼3–4 Å. Unexpectedly, these channels are free of solvent molecules, although the crystals were obtained from aqueous solutions. N-H⋯Cl hydrogen bonding interactions between the square-planar [Pt(NH3)4]2+ dications and the Cl- counter ions result in a three-dimensional hydrogen bonding network that stabilizes the porous solid state structure. The hydrogen atoms of the ammonia ligands and their corresponding N-H⋯Cl hydrogen bonds are localized at low temperature (space group I4/mmm) but disorder dynamically above 173 K (space group P4/mmm). The order-disorder transition is accompanied by significant changes in the Pt–Pt stacking distances and a fourfold reduction of the unit cell volume.
Disciplines :

General metadata

Data acquisition date : 2017
Data acquisition methods :
Update periodicity : no update
Language : English (eng)
Formats : chemical/x-cif
Audience : University: master, Research
Publications :
  • Redetermination of the crystal structure of tetrammineplatinum(II) dichloride – A microporous hydrogen-bonded 3D network exhibiting a temperature-dependent order-disorder phase transition (doi:10.1016/j.ica.2019.119002)
Additional information :
To access data, use the CCDC identifiers in the CCDC form (https://www.ccdc.cam.ac.uk/structures/): 1847734 (100 K), 1856388 (173 K), 1856389 (223 K) and
1856390 (273 K)
Record created 4 Dec 2019 by Michael Knorr.
Local identifier: FR-18008901306731-2019-12-04-02.

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