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

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Quotation

Lukas Brieger, Sebastian Henke, Ahmed Said Mohamed, Isabelle Jourdain, Michael Knorr, Carsten Strohmann (2019): Redetermination of the crystal structure of tetrammineplatinum(II) dichloride – A microporous hydrogen-bonded 3D network exhibiting a temperature-dependent order-disorder phase transition. CCDC. doi:10.25505/fiz.icsd.cc200qb3

General metadata

Identifiers : local : FR-18008901306731-2019-12-04-02 external : doi:10.25505/fiz.icsd.cc200qb3, doi:10.25505/fiz.icsd.cc209qhk, doi:10.25505/fiz.icsd.cc209qjl, doi:10.25505/fiz.icsd.cc209qkm
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 :
Keywords :

Dates :
Data acquisition : 2017
Data provision : 16 Apr 2019
Metadata record :
Creation : 4 Dec 2019

Update periodicity : no update
Language : English (eng)
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)
Audience : University: master, Research

Administrative metadata

Data creatorsAffiliation
Lukas BriegerTU Dortmund
Sebastian HenkeTU Dortmund
Ahmed Said MohamedUTINAM
Isabelle JourdainUTINAM
Michael KnorrUTINAM
Carsten StrohmannTU Dortmund
Publisher : Cambridge Crystallographic Data Centre
Science contact : Michael Knorr website e-mail
Access : available

Technical metadata

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

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)
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